Daily Papers

In an educational setting, an estimate of the difficulty of multiple-choice questions (MCQs), a commonly used strategy to assess learning progress, constitutes very useful information for both teachers and students. Since human assessment is costly from multiple points of view, automatic approaches to MCQ item difficulty estimation are investigated, yielding however mixed success until now. Our approach to this problem takes a different angle from previous work: asking various Large Language Models to tackle the questions included in two different MCQ datasets, we leverage model uncertainty to estimate item difficulty. By using both model uncertainty features as well as textual features in a Random Forest regressor, we show that uncertainty features contribute substantially to difficulty prediction, where difficulty is inversely proportional to the number of students who can correctly answer a question. In addition to showing the value of our approach, we also observe that our model achieves state-of-the-art results on the BEA publicly available dataset.

Accurately quantifying a large language model's (LLM) predictive uncertainty is crucial for judging the reliability of its answers. While most existing research focuses on short, directly answerable questions with closed-form outputs (e.g., multiple-choice), involving intermediate reasoning steps in LLM responses is increasingly important. This added complexity complicates uncertainty quantification (UQ) because the probabilities assigned to answer tokens are conditioned on a vast space of preceding reasoning tokens. Direct marginalization is infeasible, and the dependency inflates probability estimates, causing overconfidence in UQ. To address this, we propose UQAC, an efficient method that narrows the reasoning space to a tractable size for marginalization. UQAC iteratively constructs an "attention chain" of tokens deemed "semantically crucial" to the final answer via a backtracking procedure. Starting from the answer tokens, it uses attention weights to identify the most influential predecessors, then iterates this process until reaching the input tokens. Similarity filtering and probability thresholding further refine the resulting chain, allowing us to approximate the marginal probabilities of the answer tokens, which serve as the LLM's confidence. We validate UQAC on multiple reasoning benchmarks with advanced open-source LLMs, demonstrating that it consistently delivers reliable UQ estimates with high computational efficiency.

Estimating the difficulty of multiple-choice questions would be great help for educators who must spend substantial time creating and piloting stimuli for their tests, and for learners who want to practice. Supervised approaches to difficulty estimation have yielded to date mixed results. In this contribution we leverage an aspect of generative large models which might be seen as a weakness when answering questions, namely their uncertainty, and exploit it towards exploring correlations between two different metrics of uncertainty, and the actual student response distribution. While we observe some present but weak correlations, we also discover that the models' behaviour is different in the case of correct vs wrong answers, and that correlations differ substantially according to the different question types which are included in our fine-grained, previously unused dataset of 451 questions from a Biopsychology course. In discussing our findings, we also suggest potential avenues to further leverage model uncertainty as an additional proxy for item difficulty.

Recent work has sought to quantify large language model uncertainty to facilitate model control and modulate user trust. Previous works focus on measures of uncertainty that are theoretically grounded or reflect the average overt behavior of the model. In this work, we investigate a variety of uncertainty measures, in order to identify measures that correlate with human group-level uncertainty. We find that Bayesian measures and a variation on entropy measures, top-k entropy, tend to agree with human behavior as a function of model size. We find that some strong measures decrease in human-similarity with model size, but, by multiple linear regression, we find that combining multiple uncertainty measures provide comparable human-alignment with reduced size-dependency.

Monitoring machine learning models once they are deployed is challenging. It is even more challenging to decide when to retrain models in real-case scenarios when labeled data is beyond reach, and monitoring performance metrics becomes unfeasible. In this work, we use non-parametric bootstrapped uncertainty estimates and SHAP values to provide explainable uncertainty estimation as a technique that aims to monitor the deterioration of machine learning models in deployment environments, as well as determine the source of model deterioration when target labels are not available. Classical methods are purely aimed at detecting distribution shift, which can lead to false positives in the sense that the model has not deteriorated despite a shift in the data distribution. To estimate model uncertainty we construct prediction intervals using a novel bootstrap method, which improves upon the work of Kumar & Srivastava (2012). We show that both our model deterioration detection system as well as our uncertainty estimation method achieve better performance than the current state-of-the-art. Finally, we use explainable AI techniques to gain an understanding of the drivers of model deterioration. We release an open source Python package, doubt, which implements our proposed methods, as well as the code used to reproduce our experiments.

Semi-supervised crowd counting is an important yet challenging task. A popular approach is to iteratively generate pseudo-labels for unlabeled data and add them to the training set. The key is to use uncertainty to select reliable pseudo-labels. In this paper, we propose a novel method to calibrate model uncertainty for crowd counting. Our method takes a supervised uncertainty estimation strategy to train the model through a surrogate function. This ensures the uncertainty is well controlled throughout the training. We propose a matching-based patch-wise surrogate function to better approximate uncertainty for crowd counting tasks. The proposed method pays a sufficient amount of attention to details, while maintaining a proper granularity. Altogether our method is able to generate reliable uncertainty estimation, high quality pseudolabels, and achieve state-of-the-art performance in semisupervised crowd counting.

Instance embeddings are an efficient and versatile image representation that facilitates applications like recognition, verification, retrieval, and clustering. Many metric learning methods represent the input as a single point in the embedding space. Often the distance between points is used as a proxy for match confidence. However, this can fail to represent uncertainty arising when the input is ambiguous, e.g., due to occlusion or blurriness. This work addresses this issue and explicitly models the uncertainty by hedging the location of each input in the embedding space. We introduce the hedged instance embedding (HIB) in which embeddings are modeled as random variables and the model is trained under the variational information bottleneck principle. Empirical results on our new N-digit MNIST dataset show that our method leads to the desired behavior of hedging its bets across the embedding space upon encountering ambiguous inputs. This results in improved performance for image matching and classification tasks, more structure in the learned embedding space, and an ability to compute a per-exemplar uncertainty measure that is correlated with downstream performance.

Geo-localization is an essential component of Unmanned Aerial Vehicle (UAV) navigation systems to ensure precise absolute self-localization in outdoor environments. To address the challenges of GPS signal interruptions or low illumination, Thermal Geo-localization (TG) employs aerial thermal imagery to align with reference satellite maps to accurately determine the UAV's location. However, existing TG methods lack uncertainty measurement in their outputs, compromising system robustness in the presence of textureless or corrupted thermal images, self-similar or outdated satellite maps, geometric noises, or thermal images exceeding satellite maps. To overcome these limitations, this paper presents UASTHN, a novel approach for Uncertainty Estimation (UE) in Deep Homography Estimation (DHE) tasks for TG applications. Specifically, we introduce a novel Crop-based Test-Time Augmentation (CropTTA) strategy, which leverages the homography consensus of cropped image views to effectively measure data uncertainty. This approach is complemented by Deep Ensembles (DE) employed for model uncertainty, offering comparable performance with improved efficiency and seamless integration with any DHE model. Extensive experiments across multiple DHE models demonstrate the effectiveness and efficiency of CropTTA in TG applications. Analysis of detected failure cases underscores the improved reliability of CropTTA under challenging conditions. Finally, we demonstrate the capability of combining CropTTA and DE for a comprehensive assessment of both data and model uncertainty. Our research provides profound insights into the broader intersection of localization and uncertainty estimation. The code and models are publicly available.

Robust Markov decision processes (MDPs) address the challenge of model uncertainty by optimizing the worst-case performance over an uncertainty set of MDPs. In this paper, we focus on the robust average-reward MDPs under the model-free setting. We first theoretically characterize the structure of solutions to the robust average-reward Bellman equation, which is essential for our later convergence analysis. We then design two model-free algorithms, robust relative value iteration (RVI) TD and robust RVI Q-learning, and theoretically prove their convergence to the optimal solution. We provide several widely used uncertainty sets as examples, including those defined by the contamination model, total variation, Chi-squared divergence, Kullback-Leibler (KL) divergence and Wasserstein distance.

Although large language models (LLMs) are capable of performing various tasks, they still suffer from producing plausible but incorrect responses. To improve the reliability of LLMs, recent research has focused on uncertainty quantification to predict whether a response is correct or not. However, most uncertainty quantification methods have been evaluated on questions requiring a single clear answer, ignoring the existence of data uncertainty that arises from irreducible randomness. Instead, these methods only consider model uncertainty, which arises from a lack of knowledge. In this paper, we investigate previous uncertainty quantification methods under the presence of data uncertainty. Our contributions are two-fold: 1) proposing a new Multi-Answer Question Answering dataset, MAQA, consisting of world knowledge, mathematical reasoning, and commonsense reasoning tasks to evaluate uncertainty quantification regarding data uncertainty, and 2) assessing 5 uncertainty quantification methods of diverse white- and black-box LLMs. Our findings show that entropy and consistency-based methods estimate the model uncertainty well even under data uncertainty, while other methods for white- and black-box LLMs struggle depending on the tasks. Additionally, methods designed for white-box LLMs suffer from overconfidence in reasoning tasks compared to simple knowledge queries. We believe our observations will pave the way for future work on uncertainty quantification in realistic setting.

Understanding sources of a model's uncertainty regarding its predictions is crucial for effective human-AI collaboration. Prior work proposes using numerical uncertainty or hedges ("I'm not sure, but ..."), which do not explain uncertainty that arises from conflicting evidence, leaving users unable to resolve disagreements or rely on the output. We introduce CLUE (Conflict-and-Agreement-aware Language-model Uncertainty Explanations), the first framework to generate natural language explanations of model uncertainty by (i) identifying relationships between spans of text that expose claim-evidence or inter-evidence conflicts and agreements that drive the model's predictive uncertainty in an unsupervised way, and (ii) generating explanations via prompting and attention steering that verbalize these critical interactions. Across three language models and two fact-checking datasets, we show that CLUE produces explanations that are more faithful to the model's uncertainty and more consistent with fact-checking decisions than prompting for uncertainty explanations without span-interaction guidance. Human evaluators judge our explanations to be more helpful, more informative, less redundant, and more logically consistent with the input than this baseline. CLUE requires no fine-tuning or architectural changes, making it plug-and-play for any white-box language model. By explicitly linking uncertainty to evidence conflicts, it offers practical support for fact-checking and generalises readily to other tasks that require reasoning over complex information.

Most mobile robots for indoor use rely on 2D laser scanners for localization, mapping and navigation. These sensors, however, cannot detect transparent surfaces or measure the full occupancy of complex objects such as tables. Deep Neural Networks have recently been proposed to overcome this limitation by learning to estimate object occupancy. These estimates are nevertheless subject to uncertainty, making the evaluation of their confidence an important issue for these measures to be useful for autonomous navigation and mapping. In this work we approach the problem from two sides. First we discuss uncertainty estimation in deep models, proposing a solution based on a fully convolutional neural network. The proposed architecture is not restricted by the assumption that the uncertainty follows a Gaussian model, as in the case of many popular solutions for deep model uncertainty estimation, such as Monte-Carlo Dropout. We present results showing that uncertainty over obstacle distances is actually better modeled with a Laplace distribution. Then, we propose a novel approach to build maps based on Deep Neural Network uncertainty models. In particular, we present an algorithm to build a map that includes information over obstacle distance estimates while taking into account the level of uncertainty in each estimate. We show how the constructed map can be used to increase global navigation safety by planning trajectories which avoid areas of high uncertainty, enabling higher autonomy for mobile robots in indoor settings.

We investigate the problem of determining the predictive confidence (or, conversely, uncertainty) of a neural classifier through the lens of low-resource languages. By training models on sub-sampled datasets in three different languages, we assess the quality of estimates from a wide array of approaches and their dependence on the amount of available data. We find that while approaches based on pre-trained models and ensembles achieve the best results overall, the quality of uncertainty estimates can surprisingly suffer with more data. We also perform a qualitative analysis of uncertainties on sequences, discovering that a model's total uncertainty seems to be influenced to a large degree by its data uncertainty, not model uncertainty. All model implementations are open-sourced in a software package.

Large language models exhibit positional bias -- systematic neglect of information at specific context positions -- yet its interplay with linguistic diversity remains poorly understood. We present a cross-linguistic study across five typologically distinct languages (English, Russian, German, Hindi, Vietnamese), examining how positional bias interacts with model uncertainty, syntax, and prompting. Key findings: (1) Positional bias is model-driven, with language-specific variations -- Qwen2.5-7B favors late positions, challenging assumptions of early-token bias; (2) Explicit positional guidance (e.g., correct context is at position X) reduces accuracy across languages, undermining prompt-engineering practices; (3) Aligning context with positional bias increases entropy, yet minimal entropy does not predict accuracy. (4) We further uncover that LLMs differently impose dominant word order in free-word-order languages like Hindi.

This study addresses the challenging problem of active view selection and uncertainty quantification within the domain of Radiance Fields. Neural Radiance Fields (NeRF) have greatly advanced image rendering and reconstruction, but the limited availability of 2D images poses uncertainties stemming from occlusions, depth ambiguities, and imaging errors. Efficiently selecting informative views becomes crucial, and quantifying NeRF model uncertainty presents intricate challenges. Existing approaches either depend on model architecture or are based on assumptions regarding density distributions that are not generally applicable. By leveraging Fisher Information, we efficiently quantify observed information within Radiance Fields without ground truth data. This can be used for the next best view selection and pixel-wise uncertainty quantification. Our method overcomes existing limitations on model architecture and effectiveness, achieving state-of-the-art results in both view selection and uncertainty quantification, demonstrating its potential to advance the field of Radiance Fields. Our method with the 3D Gaussian Splatting backend could perform view selections at 70 fps.

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant progress has been made recently in offline model-based reinforcement learning, approaches which leverage a learned dynamics model. This typically involves constructing a probabilistic model, and using the model uncertainty to penalize rewards where there is insufficient data, solving for a pessimistic MDP that lower bounds the true MDP. Existing methods, however, exhibit a breakdown between theory and practice, whereby pessimistic return ought to be bounded by the total variation distance of the model from the true dynamics, but is instead implemented through a penalty based on estimated model uncertainty. This has spawned a variety of uncertainty heuristics, with little to no comparison between differing approaches. In this paper, we compare these heuristics, and design novel protocols to investigate their interaction with other hyperparameters, such as the number of models, or imaginary rollout horizon. Using these insights, we show that selecting these key hyperparameters using Bayesian Optimization produces superior configurations that are vastly different to those currently used in existing hand-tuned state-of-the-art methods, and result in drastically stronger performance.

Model-based deep reinforcement learning has achieved success in various domains that require high sample efficiencies, such as Go and robotics. However, there are some remaining issues, such as planning efficient explorations to learn more accurate dynamic models, evaluating the uncertainty of the learned models, and more rational utilization of models. To mitigate these issues, we present MEEE, a model-ensemble method that consists of optimistic exploration and weighted exploitation. During exploration, unlike prior methods directly selecting the optimal action that maximizes the expected accumulative return, our agent first generates a set of action candidates and then seeks out the optimal action that takes both expected return and future observation novelty into account. During exploitation, different discounted weights are assigned to imagined transition tuples according to their model uncertainty respectively, which will prevent model predictive error propagation in agent training. Experiments on several challenging continuous control benchmark tasks demonstrated that our approach outperforms other model-free and model-based state-of-the-art methods, especially in sample complexity.

Iterative preference optimization has recently become one of the de-facto training paradigms for large language models (LLMs), but the performance is still underwhelming due to too much noisy preference data yielded in the loop. To combat this issue, we present an Uncertainty-enhanced Preference Optimization (UPO) framework to make the LLM self-evolve with reliable feedback. The key idea is mitigating the noisy preference data derived from the current policy and reward models by performing pair-wise uncertainty estimation and judiciously reliable feedback sampling. To reach this goal, we thus introduce an estimator model, which incorporates Monte Carlo (MC) dropout in Bayesian neural network (BNN) to perform uncertainty estimation for the preference data derived from the LLM policy. Compared to the existing methods that directly filter generated responses based on the reward score, the estimator focuses on the model uncertainty in a pair-wise manner and effectively bypasses the confirmation bias problem of the reward model. Additionally, we also propose an uncertainty-enhanced self-evolution algorithm to improve the robustness of preference optimization and encourage the LLM to generate responses with both high reward and certainty. Extensive experiments over multiple benchmarks demonstrate that our framework substantially alleviates the noisy problem and improves the performance of iterative preference optimization.

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

Quality Estimation (QE) is estimating the quality of model output when the ground truth reference is not available. Looking at model uncertainty from its own output probabilities is the most trivial and low-effort way to estimate the output quality. However, for generative model, output probabilities might not be the best quality estimator. At an output step, there can be multiple correct options, making the probability distribution spread out more. Thus, lower token probability does not necessarily mean lower output quality. In other words, the model can be considered underconfident. In this paper, we propose a QE approach called Dominant Mass Probability (DMP}, that boosts the model confidence in cases where there are multiple viable output options. We show that, with no increase in complexity, DMP is notably better than sequence probability when estimating the quality of different models (Whisper, Llama, etc.) on different tasks (translation, summarization, etc.). Compared to sequence probability, DMP achieves on average +0.208 improvement in Pearson correlation to ground-truth quality.

Large Language Models (LLMs) often generate outputs that lack grounding in real-world facts, a phenomenon known as hallucinations. Prior research has associated hallucinations with model uncertainty, leveraging this relationship for hallucination detection and mitigation. In this paper, we challenge the underlying assumption that all hallucinations are associated with uncertainty. Using knowledge detection and uncertainty measurement methods, we demonstrate that models can hallucinate with high certainty even when they have the correct knowledge. We further show that high-certainty hallucinations are consistent across models and datasets, distinctive enough to be singled out, and challenge existing mitigation methods. Our findings reveal an overlooked aspect of hallucinations, emphasizing the need to understand their origins and improve mitigation strategies to enhance LLM safety. The code is available at https://github.com/technion-cs-nlp/Trust_me_Im_wrong .

Large Language Models (LLMs) suffer significant performance degradation in multi-turn conversations when information is presented incrementally. Given that multi-turn conversations characterize everyday interactions with LLMs, this degradation poses a severe challenge to real world usability. We hypothesize that abrupt increases in model uncertainty signal misalignment in multi-turn LLM interactions, and we exploit this insight to dynamically realign conversational context. We introduce ERGO (Entropy-guided Resetting for Generation Optimization), which continuously quantifies internal uncertainty via Shannon entropy over next token distributions and triggers adaptive prompt consolidation when a sharp spike in entropy is detected. By treating uncertainty as a first class signal rather than a nuisance to eliminate, ERGO embraces variability in language and modeling, representing and responding to uncertainty. In multi-turn tasks with incrementally revealed instructions, ERGO yields a 56.6% average performance gain over standard baselines, increases aptitude (peak performance capability) by 24.7%, and decreases unreliability (variability in performance) by 35.3%, demonstrating that uncertainty aware interventions can improve both accuracy and reliability in conversational AI.

Accurate confidence estimation is essential for trustworthy large language models (LLMs) systems, as it empowers the user to determine when to trust outputs and enables reliable deployment in safety-critical applications. Current confidence estimation methods for LLMs neglect the relevance between responses and contextual information, a crucial factor in output quality evaluation, particularly in scenarios where background knowledge is provided. To bridge this gap, we propose CRUX (Context-aware entropy Reduction and Unified consistency eXamination), the first framework that integrates context faithfulness and consistency for confidence estimation via two novel metrics. First, contextual entropy reduction represents data uncertainty with the information gain through contrastive sampling with and without context. Second, unified consistency examination captures potential model uncertainty through the global consistency of the generated answers with and without context. Experiments across three benchmark datasets (CoQA, SQuAD, QuAC) and two domain-specific datasets (BioASQ, EduQG) demonstrate CRUX's effectiveness, achieving the highest AUROC than existing baselines.

Probabilistic circuits (PCs) are models that allow exact and tractable probabilistic inference. In contrast to neural networks, they are often assumed to be well-calibrated and robust to out-of-distribution (OOD) data. In this paper, we show that PCs are in fact not robust to OOD data, i.e., they don't know what they don't know. We then show how this challenge can be overcome by model uncertainty quantification. To this end, we propose tractable dropout inference (TDI), an inference procedure to estimate uncertainty by deriving an analytical solution to Monte Carlo dropout (MCD) through variance propagation. Unlike MCD in neural networks, which comes at the cost of multiple network evaluations, TDI provides tractable sampling-free uncertainty estimates in a single forward pass. TDI improves the robustness of PCs to distribution shift and OOD data, demonstrated through a series of experiments evaluating the classification confidence and uncertainty estimates on real-world data.

Classifier-Free Guidance (CFG) significantly enhances controllability in generative models by interpolating conditional and unconditional predictions. However, standard CFG often employs a static unconditional input, which can be suboptimal for iterative generation processes where model uncertainty varies dynamically. We introduce Adaptive Classifier-Free Guidance (A-CFG), a novel method that tailors the unconditional input by leveraging the model's instantaneous predictive confidence. At each step of an iterative (masked) diffusion language model, A-CFG identifies tokens in the currently generated sequence for which the model exhibits low confidence. These tokens are temporarily re-masked to create a dynamic, localized unconditional input. This focuses CFG's corrective influence precisely on areas of ambiguity, leading to more effective guidance. We integrate A-CFG into a state-of-the-art masked diffusion language model and demonstrate its efficacy. Experiments on diverse language generation benchmarks show that A-CFG yields substantial improvements over standard CFG, achieving, for instance, a 3.9 point gain on GPQA. Our work highlights the benefit of dynamically adapting guidance mechanisms to model uncertainty in iterative generation.

Temperature scaling is a popular technique for tuning the sharpness of a model distribution. It is used extensively for sampling likely generations and calibrating model uncertainty, and even features as a controllable parameter to many large language models in deployment. However, autoregressive models rely on myopic temperature scaling that greedily optimizes the next token. To address this, we propose Long Horizon Temperature Scaling (LHTS), a novel approach for sampling from temperature-scaled joint distributions. LHTS is compatible with all likelihood-based models, and optimizes for the long-horizon likelihood of samples. We derive a temperature-dependent LHTS objective, and show that fine-tuning a model on a range of temperatures produces a single model capable of generation with a controllable long-horizon temperature parameter. We experiment with LHTS on image diffusion models and character/language autoregressive models, demonstrating advantages over myopic temperature scaling in likelihood and sample quality, and showing improvements in accuracy on a multiple choice analogy task by 10%.

Neural surface representation has demonstrated remarkable success in the areas of novel view synthesis and 3D reconstruction. However, assessing the geometric quality of 3D reconstructions in the absence of ground truth mesh remains a significant challenge, due to its rendering-based optimization process and entangled learning of appearance and geometry with photometric losses. In this paper, we present a novel framework, i.e, GURecon, which establishes a geometric uncertainty field for the neural surface based on geometric consistency. Different from existing methods that rely on rendering-based measurement, GURecon models a continuous 3D uncertainty field for the reconstructed surface, and is learned by an online distillation approach without introducing real geometric information for supervision. Moreover, in order to mitigate the interference of illumination on geometric consistency, a decoupled field is learned and exploited to finetune the uncertainty field. Experiments on various datasets demonstrate the superiority of GURecon in modeling 3D geometric uncertainty, as well as its plug-and-play extension to various neural surface representations and improvement on downstream tasks such as incremental reconstruction. The code and supplementary material are available on the project website: https://zju3dv.github.io/GURecon/.

In this paper we apply self-knowledge distillation to text summarization which we argue can alleviate problems with maximum-likelihood training on single reference and noisy datasets. Instead of relying on one-hot annotation labels, our student summarization model is trained with guidance from a teacher which generates smoothed labels to help regularize training. Furthermore, to better model uncertainty during training, we introduce multiple noise signals for both teacher and student models. We demonstrate experimentally on three benchmarks that our framework boosts the performance of both pretrained and non-pretrained summarizers achieving state-of-the-art results.

LLMs(Large Language Models) nowadays have widespread adoption as a tool for solving issues across various domain/tasks. These models since are susceptible to produce harmful or toxic results, inference-time adversarial attacks, therefore they do undergo safety alignment training and Red teaming for putting in safety guardrails. For using these models, usually fine-tuning is done for model alignment on the desired tasks, which can make model more aligned but also make it more susceptible to produce unsafe responses, if fine-tuned with harmful data.In this paper, we study how much of impact introduction of harmful data in fine-tuning can make, and if it can override the safety protection of those models. Conversely,it was also explored that if model is fine-tuned on safety data can make the model produce more safer responses. Further we explore if fine-tuning the model on harmful data makes it less helpful or less trustworthy because of increase in model uncertainty leading to knowledge drift. Our extensive experimental results shown that Safety protection in an open-source can be overridden, when fine-tuned with harmful data as observed by ASR increasing by 35% when compared to basemodel's ASR. Also, as observed, fine-tuning a model with harmful data made the harmful fine-tuned model highly uncertain with huge knowledge drift and less truthfulness in its responses. Furthermore, for the safe fine-tuned model, ASR decreases by 51.68% as compared to the basemodel, and Safe model also shown in minor drop in uncertainty and truthfulness as compared to basemodel. This paper's code is available at: https://github.com/techsachinkr/Overriding_Model_Safety_Protections

Language models often pre-train on large unsupervised text corpora, then fine-tune on additional task-specific data. However, typical fine-tuning schemes do not prioritize the examples that they tune on. We show that, if you can prioritize informative training data, you can achieve better performance while using fewer labels. To do this we augment a language model with an epinet: a small additional network that helps to estimate model uncertainty and forms an epistemic neural network (ENN). ENNs are neural networks that can know what they don't know. Using an epinet to prioritize uncertain data, we can fine-tune BERT on GLUE tasks to the same performance while using 2x less data than training without prioritization. We also investigate performance in synthetic neural network generative models designed to build understanding. In each setting, using an epinet outperforms heuristic active learning schemes.

Bayesian Neural Networks with Latent Variables (BNN+LVs) capture predictive uncertainty by explicitly modeling model uncertainty (via priors on network weights) and environmental stochasticity (via a latent input noise variable). In this work, we first show that BNN+LV suffers from a serious form of non-identifiability: explanatory power can be transferred between the model parameters and latent variables while fitting the data equally well. We demonstrate that as a result, in the limit of infinite data, the posterior mode over the network weights and latent variables is asymptotically biased away from the ground-truth. Due to this asymptotic bias, traditional inference methods may in practice yield parameters that generalize poorly and misestimate uncertainty. Next, we develop a novel inference procedure that explicitly mitigates the effects of likelihood non-identifiability during training and yields high-quality predictions as well as uncertainty estimates. We demonstrate that our inference method improves upon benchmark methods across a range of synthetic and real data-sets.

Recently evolved large reasoning models (LRMs) show powerful performance in solving complex tasks with long chain-of-thought (CoT) reasoning capability. As these LRMs are mostly developed by post-training on formal reasoning tasks, whether they generalize the reasoning capability to help reduce hallucination in fact-seeking tasks remains unclear and debated. For instance, DeepSeek-R1 reports increased performance on SimpleQA, a fact-seeking benchmark, while OpenAI-o3 observes even severer hallucination. This discrepancy naturally raises the following research question: Are reasoning models more prone to hallucination? This paper addresses the question from three perspectives. (1) We first conduct a holistic evaluation for the hallucination in LRMs. Our analysis reveals that LRMs undergo a full post-training pipeline with cold start supervised fine-tuning (SFT) and verifiable reward RL generally alleviate their hallucination. In contrast, both distillation alone and RL training without cold start fine-tuning introduce more nuanced hallucinations. (2) To explore why different post-training pipelines alters the impact on hallucination in LRMs, we conduct behavior analysis. We characterize two critical cognitive behaviors that directly affect the factuality of a LRM: Flaw Repetition, where the surface-level reasoning attempts repeatedly follow the same underlying flawed logic, and Think-Answer Mismatch, where the final answer fails to faithfully match the previous CoT process. (3) Further, we investigate the mechanism behind the hallucination of LRMs from the perspective of model uncertainty. We find that increased hallucination of LRMs is usually associated with the misalignment between model uncertainty and factual accuracy. Our work provides an initial understanding of the hallucination in LRMs.

When unsure about an answer, humans often respond with more words than necessary, hoping that part of the response will be correct. We observe a similar behavior in large language models (LLMs), which we term "Verbosity Compensation" (VC). VC is harmful because it confuses the user understanding, leading to low efficiency, and influences the LLM services by increasing the latency and cost of generating useless tokens. In this paper, we present the first work that defines and analyzes Verbosity Compensation, explores its causes, and proposes a simple mitigating approach. We define Verbosity Compensation as the behavior of generating responses that can be compressed without information loss when prompted to write concisely. Our experiments, conducted on five datasets of knowledge and reasoning-based QA tasks with 14 newly developed LLMs, reveal three conclusions. 1) We reveal a pervasive presence of verbosity compensation across all models and all datasets. Notably, GPT-4 exhibits a VC frequency of 50.40%. 2) We reveal the large performance gap between verbose and concise responses, with a notable difference of 27.61% on the Qasper dataset. We also demonstrate that this difference does not naturally diminish as LLM capability increases. Both 1) and 2) highlight the urgent need to mitigate the frequency of VC behavior and disentangle verbosity with veracity. We propose a simple yet effective cascade algorithm that replaces the verbose responses with the other model-generated responses. The results show that our approach effectively alleviates the VC of the Mistral model from 63.81% to 16.16% on the Qasper dataset. 3) We also find that verbose responses exhibit higher uncertainty across all five datasets, suggesting a strong connection between verbosity and model uncertainty. Our dataset and code are available at https://github.com/psunlpgroup/VerbosityLLM.

Reinforcement Learning (RL) is notoriously data-inefficient, which makes training on a real robot difficult. While model-based RL algorithms (world models) improve data-efficiency to some extent, they still require hours or days of interaction to learn skills. Recently, offline RL has been proposed as a framework for training RL policies on pre-existing datasets without any online interaction. However, constraining an algorithm to a fixed dataset induces a state-action distribution shift between training and inference, and limits its applicability to new tasks. In this work, we seek to get the best of both worlds: we consider the problem of pretraining a world model with offline data collected on a real robot, and then finetuning the model on online data collected by planning with the learned model. To mitigate extrapolation errors during online interaction, we propose to regularize the planner at test-time by balancing estimated returns and (epistemic) model uncertainty. We evaluate our method on a variety of visuo-motor control tasks in simulation and on a real robot, and find that our method enables few-shot finetuning to seen and unseen tasks even when offline data is limited. Videos, code, and data are available at https://yunhaifeng.com/FOWM .

There are increasing concerns about malicious attacks on autonomous vehicles. In particular, inaudible voice command attacks pose a significant threat as voice commands become available in autonomous driving systems. How to empirically defend against these inaudible attacks remains an open question. Previous research investigates utilizing deep learning-based multimodal fusion for defense, without considering the model uncertainty in trustworthiness. As deep learning has been applied to increasingly sensitive tasks, uncertainty measurement is crucial in helping improve model robustness, especially in mission-critical scenarios. In this paper, we propose the Multimodal Fusion Framework (MFF) as an intelligent security system to defend against inaudible voice command attacks. MFF fuses heterogeneous audio-vision modalities using VGG family neural networks and achieves the detection accuracy of 92.25% in the comparative fusion method empirical study. Additionally, extensive experiments on audio-vision tasks reveal the model's uncertainty. Using Expected Calibration Errors, we measure calibration errors and Monte-Carlo Dropout to estimate the predictive distribution for the proposed models. Our findings show empirically to train robust multimodal models, improve standard accuracy and provide a further step toward interpretability. Finally, we discuss the pros and cons of our approach and its applicability for Advanced Driver Assistance Systems.

Counterfactual explanations are attracting significant attention due to the flourishing applications of machine learning models in consequential domains. A counterfactual plan consists of multiple possibilities to modify a given instance so that the model's prediction will be altered. As the predictive model can be updated subject to the future arrival of new data, a counterfactual plan may become ineffective or infeasible with respect to the future values of the model parameters. In this work, we study the counterfactual plans under model uncertainty, in which the distribution of the model parameters is partially prescribed using only the first- and second-moment information. First, we propose an uncertainty quantification tool to compute the lower and upper bounds of the probability of validity for any given counterfactual plan. We then provide corrective methods to adjust the counterfactual plan to improve the validity measure. The numerical experiments validate our bounds and demonstrate that our correction increases the robustness of the counterfactual plans in different real-world datasets.

We investigate active learning in the context of deep neural network models for change detection and map updating. Active learning is a natural choice for a number of remote sensing tasks, including the detection of local surface changes: changes are on the one hand rare and on the other hand their appearance is varied and diffuse, making it hard to collect a representative training set in advance. In the active learning setting, one starts from a minimal set of training examples and progressively chooses informative samples that are annotated by a user and added to the training set. Hence, a core component of an active learning system is a mechanism to estimate model uncertainty, which is then used to pick uncertain, informative samples. We study different mechanisms to capture and quantify this uncertainty when working with deep networks, based on the variance or entropy across explicit or implicit model ensembles. We show that active learning successfully finds highly informative samples and automatically balances the training distribution, and reaches the same performance as a model supervised with a large, pre-annotated training set, with approx99% fewer annotated samples.

Existing reasoning segmentation approaches typically fine-tune multimodal large language models (MLLMs) using image-text pairs and corresponding mask labels. However, they exhibit limited generalization to out-of-distribution scenarios without an explicit reasoning process. Although recent efforts leverage reinforcement learning through group-relative policy optimization (GRPO) to enhance reasoning ability, they often suffer from overthinking - producing uniformly verbose reasoning chains irrespective of task complexity. This results in elevated computational costs and limited control over reasoning quality. To address this problem, we propose PixelThink, a simple yet effective scheme that integrates externally estimated task difficulty and internally measured model uncertainty to regulate reasoning generation within a reinforcement learning paradigm. The model learns to compress reasoning length in accordance with scene complexity and predictive confidence. To support comprehensive evaluation, we introduce ReasonSeg-Diff, an extended benchmark with annotated reasoning references and difficulty scores, along with a suite of metrics designed to assess segmentation accuracy, reasoning quality, and efficiency jointly. Experimental results demonstrate that the proposed approach improves both reasoning efficiency and overall segmentation performance. Our work contributes novel perspectives towards efficient and interpretable multimodal understanding. The code and model will be publicly available.

With the rise of reasoning language models and test-time scaling methods as a paradigm for improving model performance, substantial computation is often required to generate multiple candidate sequences from the same prompt. This enables exploration of different reasoning paths toward the correct solution, however, allocates the same compute budget for each prompt. Grounded on the assumption that different prompts carry different degrees of complexity, and thus different computation needs, we propose EAGer, a training-free generation method that leverages model uncertainty through token-wise entropy distribution to reduce redundant computation and concurrently improve overall performance. EAGer allows branching to multiple reasoning paths only in the presence of high-entropy tokens, and then reallocates the saved compute budget to the instances where exploration of alternative paths is most needed. We find that across multiple open-source models on complex reasoning benchmarks such as AIME 2025, EAGer can reallocate the budget without accessing target labels, achieving the best efficiency-performance trade-off in terms of reasoning length and Pass@k. When target labels are accessible, EAGer generates up to 65% fewer tokens (hence saving compute) and achieves up to 37% improvement in Pass@k compared to the Full Parallel Sampling.

Textual domain is a crucial property within the Natural Language Processing (NLP) community due to its effects on downstream model performance. The concept itself is, however, loosely defined and, in practice, refers to any non-typological property, such as genre, topic, medium or style of a document. We investigate the core notion of domains via human proficiency in identifying related intrinsic textual properties, specifically the concepts of genre (communicative purpose) and topic (subject matter). We publish our annotations in *TGeGUM*: A collection of 9.1k sentences from the GUM dataset (Zeldes, 2017) with single sentence and larger context (i.e., prose) annotations for one of 11 genres (source type), and its topic/subtopic as per the Dewey Decimal library classification system (Dewey, 1979), consisting of 10/100 hierarchical topics of increased granularity. Each instance is annotated by three annotators, for a total of 32.7k annotations, allowing us to examine the level of human disagreement and the relative difficulty of each annotation task. With a Fleiss' kappa of at most 0.53 on the sentence level and 0.66 at the prose level, it is evident that despite the ubiquity of domains in NLP, there is little human consensus on how to define them. By training classifiers to perform the same task, we find that this uncertainty also extends to NLP models.

Human cognition excels at transcending sensory input and forming latent representations that structure our understanding of the world. Although Large Language Models (LLMs) can produce chain-of-thought reasoning, they lack a principled framework to capture latent structures and model uncertainty, especially in compositional reasoning tasks. We propose Verbalized Probabilistic Graphical Modeling (vPGM), a Bayesian prompting framework that guides LLMs to simulate key principles of Probabilistic Graphical Models (PGMs) in natural language. Unlike many traditional probabilistic methods requiring substantial domain expertise or specialized training, vPGM bypasses expert-driven model design, making it well-suited for scenarios with limited assumptions or scarce data. We evaluated our model on several compositional reasoning tasks, both close-ended and open-ended. Our results indicate that the model effectively enhances confidence calibration and text generation quality.

Certification for machine learning is proving that no adversarial sample can evade a model within a range under certain conditions, a necessity for safety-critical domains. Common certification methods for segmentation use a flat set of fine-grained classes, leading to high abstain rates due to model uncertainty across many classes. We propose a novel, more practical setting, which certifies pixels within a multi-level hierarchy, and adaptively relaxes the certification to a coarser level for unstable components classic methods would abstain from, effectively lowering the abstain rate whilst providing more certified semantically meaningful information. We mathematically formulate the problem setup, introduce an adaptive hierarchical certification algorithm and prove the correctness of its guarantees. Since certified accuracy does not take the loss of information into account for coarser classes, we introduce the Certified Information Gain (CIG) metric, which is proportional to the class granularity level. Our extensive experiments on the datasets Cityscapes, PASCAL-Context, ACDC and COCO-Stuff demonstrate that our adaptive algorithm achieves a higher CIG and lower abstain rate compared to the current state-of-the-art certification method. Our code can be found here: https://github.com/AlaaAnani/adaptive-certify.

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs leverage large-scale machine learning techniques to approximate a large set of posteriors. The only requirement for PFNs to work is the ability to sample from a prior distribution over supervised learning tasks (or functions). Our method restates the objective of posterior approximation as a supervised classification problem with a set-valued input: it repeatedly draws a task (or function) from the prior, draws a set of data points and their labels from it, masks one of the labels and learns to make probabilistic predictions for it based on the set-valued input of the rest of the data points. Presented with a set of samples from a new supervised learning task as input, PFNs make probabilistic predictions for arbitrary other data points in a single forward propagation, having learned to approximate Bayesian inference. We demonstrate that PFNs can near-perfectly mimic Gaussian processes and also enable efficient Bayesian inference for intractable problems, with over 200-fold speedups in multiple setups compared to current methods. We obtain strong results in very diverse areas such as Gaussian process regression, Bayesian neural networks, classification for small tabular data sets, and few-shot image classification, demonstrating the generality of PFNs. Code and trained PFNs are released at https://github.com/automl/TransformersCanDoBayesianInference.

As AI systems become an increasing part of people's everyday lives, it becomes ever more important that they understand people's ethical norms. Motivated by descriptive ethics, a field of study that focuses on people's descriptive judgments rather than theoretical prescriptions on morality, we investigate a novel, data-driven approach to machine ethics. We introduce Scruples, the first large-scale dataset with 625,000 ethical judgments over 32,000 real-life anecdotes. Each anecdote recounts a complex ethical situation, often posing moral dilemmas, paired with a distribution of judgments contributed by the community members. Our dataset presents a major challenge to state-of-the-art neural language models, leaving significant room for improvement. However, when presented with simplified moral situations, the results are considerably more promising, suggesting that neural models can effectively learn simpler ethical building blocks. A key take-away of our empirical analysis is that norms are not always clean-cut; many situations are naturally divisive. We present a new method to estimate the best possible performance on such tasks with inherently diverse label distributions, and explore likelihood functions that separate intrinsic from model uncertainty.

To support emerging language-based applications using dispersed and heterogeneous computing resources, the hybrid language model (HLM) offers a promising architecture, where an on-device small language model (SLM) generates draft tokens that are validated and corrected by a remote large language model (LLM). However, the original HLM suffers from substantial communication overhead, as the LLM requires the SLM to upload the full vocabulary distribution for each token. Moreover, both communication and computation resources are wasted when the LLM validates tokens that are highly likely to be accepted. To overcome these limitations, we propose communication-efficient and uncertainty-aware HLM (CU-HLM). In CU-HLM, the SLM transmits truncated vocabulary distributions only when its output uncertainty is high. We validate the feasibility of this opportunistic transmission by discovering a strong correlation between SLM's uncertainty and LLM's rejection probability. Furthermore, we theoretically derive optimal uncertainty thresholds and optimal vocabulary truncation strategies. Simulation results show that, compared to standard HLM, CU-HLM achieves up to 206times higher token throughput by skipping 74.8% transmissions with 97.4% vocabulary compression, while maintaining 97.4% accuracy.

This paper evaluates whether large language models (LLMs) exhibit cognitive fan effects, similar to those discovered by Anderson in humans, after being pre-trained on human textual data. We conduct two sets of in-context recall experiments designed to elicit fan effects. Consistent with human results, we find that LLM recall uncertainty, measured via token probability, is influenced by the fan effect. Our results show that removing uncertainty disrupts the observed effect. The experiments suggest the fan effect is consistent whether the fan value is induced in-context or in the pre-training data. Finally, these findings provide in-silico evidence that fan effects and typicality are expressions of the same phenomena.

Supervised learning for empathy regression is challenged by noisy self-reported empathy scores. While many algorithms have been proposed for learning with noisy labels in textual classification problems, the regression counterpart is relatively under-explored. We propose UPLME, an uncertainty-aware probabilistic language modelling framework to capture label noise in the regression setting of empathy detection. UPLME includes a probabilistic language model that predicts both empathy score and heteroscedastic uncertainty and is trained using Bayesian concepts with variational model ensembling. We further introduce two novel loss components: one penalises degenerate Uncertainty Quantification (UQ), and another enforces the similarity between the input pairs on which we predict empathy. UPLME provides state-of-the-art performance (Pearson Correlation Coefficient: 0.558rightarrow0.580 and 0.629rightarrow0.634) in terms of the performance reported in the literature in two public benchmarks, having label noise. Through synthetic label noise injection, we show that UPLME is effective in separating noisy and clean samples based on the predicted uncertainty. UPLME further outperform (Calibration error: 0.571rightarrow0.376) a recent variational model ensembling-based UQ method designed for regression problems.

In any ranking system, the retrieval model outputs a single score for a document based on its belief on how relevant it is to a given search query. While retrieval models have continued to improve with the introduction of increasingly complex architectures, few works have investigated a retrieval model's belief in the score beyond the scope of a single value. We argue that capturing the model's uncertainty with respect to its own scoring of a document is a critical aspect of retrieval that allows for greater use of current models across new document distributions, collections, or even improving effectiveness for down-stream tasks. In this paper, we address this problem via an efficient Bayesian framework for retrieval models which captures the model's belief in the relevance score through a stochastic process while adding only negligible computational overhead. We evaluate this belief via a ranking based calibration metric showing that our approximate Bayesian framework significantly improves a retrieval model's ranking effectiveness through a risk aware reranking as well as its confidence calibration. Lastly, we demonstrate that this additional uncertainty information is actionable and reliable on down-stream tasks represented via cutoff prediction.

Large Language Models (LLMs) are employed across various high-stakes domains, where the reliability of their outputs is crucial. One commonly used method to assess the reliability of LLMs' responses is uncertainty estimation, which gauges the likelihood of their answers being correct. While many studies focus on improving the accuracy of uncertainty estimations for LLMs, our research investigates the fragility of uncertainty estimation and explores potential attacks. We demonstrate that an attacker can embed a backdoor in LLMs, which, when activated by a specific trigger in the input, manipulates the model's uncertainty without affecting the final output. Specifically, the proposed backdoor attack method can alter an LLM's output probability distribution, causing the probability distribution to converge towards an attacker-predefined distribution while ensuring that the top-1 prediction remains unchanged. Our experimental results demonstrate that this attack effectively undermines the model's self-evaluation reliability in multiple-choice questions. For instance, we achieved a 100 attack success rate (ASR) across three different triggering strategies in four models. Further, we investigate whether this manipulation generalizes across different prompts and domains. This work highlights a significant threat to the reliability of LLMs and underscores the need for future defenses against such attacks. The code is available at https://github.com/qcznlp/uncertainty_attack.

Large language models (LLMs) require alignment, such as instruction-tuning or reinforcement learning from human feedback, to effectively and safely follow user instructions. This process necessitates training aligned versions for every model size in each model family, resulting in significant computational overhead. In this work, we propose nudging, a simple, plug-and-play, and training-free algorithm that aligns any base model at inference time using a small aligned model. Nudging is motivated by recent findings that alignment primarily alters the model's behavior on a small subset of stylistic tokens, such as "Sure" or "Thank". We find that base models are significantly more uncertain when generating these tokens. Leveraging this observation, nudging employs a small aligned model to generate nudging tokens to steer the large base model's output toward desired directions when the base model's uncertainty is high. We evaluate the effectiveness of nudging across 3 model families and 13 tasks, covering reasoning, general knowledge, instruction following, and safety benchmarks. Without any additional training, nudging a large base model with a 7x - 14x smaller aligned model achieves zero-shot performance comparable to, and sometimes surpassing, that of large aligned models. For example, nudging OLMo-7b with OLMo-1b-instruct, affecting less than 9% of tokens, achieves a 10% absolute improvement on GSM8K over OLMo-7b-instruct. Unlike prior inference-time tuning methods, nudging enables off-the-shelf collaboration between model families. For instance, nudging Gemma-2-27b with Llama-2-7b-chat outperforms Llama-2-70b-chat on various tasks. Overall, this work introduces a simple yet powerful approach to token-level model collaboration, offering a modular solution to LLM alignment. Our project website: https://fywalter.github.io/nudging/ .

Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on the other hand, the field is currently hampered by a gap between theory and practice leaving fundamental questions unanswered: Can data-related and model-related uncertainty really be separated in practice? Which components of an uncertainty method are essential for real-world performance? Which uncertainty method works well for which application? In this work, we link this research gap to a lack of systematic and comprehensive evaluation of uncertainty methods. Specifically, we identify three key pitfalls in current literature and present an evaluation framework that bridges the research gap by providing 1) a controlled environment for studying data ambiguities as well as distribution shifts, 2) systematic ablations of relevant method components, and 3) test-beds for the five predominant uncertainty applications: OoD-detection, active learning, failure detection, calibration, and ambiguity modeling. Empirical results on simulated as well as real-world data demonstrate how the proposed framework is able to answer the predominant questions in the field revealing for instance that 1) separation of uncertainty types works on simulated data but does not necessarily translate to real-world data, 2) aggregation of scores is a crucial but currently neglected component of uncertainty methods, 3) While ensembles are performing most robustly across the different downstream tasks and settings, test-time augmentation often constitutes a light-weight alternative. Code is at: https://github.com/IML-DKFZ/values

We consider the problem of weakly supervised object detection, where the training samples are annotated using only image-level labels that indicate the presence or absence of an object category. In order to model the uncertainty in the location of the objects, we employ a dissimilarity coefficient based probabilistic learning objective. The learning objective minimizes the difference between an annotation agnostic prediction distribution and an annotation aware conditional distribution. The main computational challenge is the complex nature of the conditional distribution, which consists of terms over hundreds or thousands of variables. The complexity of the conditional distribution rules out the possibility of explicitly modeling it. Instead, we exploit the fact that deep learning frameworks rely on stochastic optimization. This allows us to use a state of the art discrete generative model that can provide annotation consistent samples from the conditional distribution. Extensive experiments on PASCAL VOC 2007 and 2012 data sets demonstrate the efficacy of our proposed approach.

Recent advancements in large language models (LLMs) often rely on generating intermediate reasoning steps to enhance accuracy. However, little work has examined how reasoning utility contributes to the final answer's correctness. Due to the stochastic nature of autoregressive generation, generating more context does not guarantee increased confidence in the answer. If we could predict, during generation, whether a reasoning step will be useful, we could stop early or prune ineffective steps, avoiding distractions in the final decision. We present an oracle study on MATH dataset, using Qwen2.5-32B and GPT-4o to generate reasoning chains, and then employing a separate model (Qwen3-8B) to quantify the utility of these chains for final accuracy. Specifically, we measure the model's uncertainty on the answer span Y at each reasoning step using conditional entropy (expected negative log-likelihood over the vocabulary) with context expanding step by step. Our results show a clear pattern: conditional entropy that decreases over steps is strongly associated with correct answers, whereas flat or increasing entropy often results in wrong answers. We also corroborate that incorrect reasoning paths tend to be longer than correct ones, suggesting that longer reasoning does not necessarily yield better outcomes. These findings serve as a foundation to inspire future work on designing efficient reasoning pipelines that detect and avoid unproductive reasoning early.

Recent approaches for weakly supervised instance segmentations depend on two components: (i) a pseudo label generation model that provides instances which are consistent with a given annotation; and (ii) an instance segmentation model, which is trained in a supervised manner using the pseudo labels as ground-truth. Unlike previous approaches, we explicitly model the uncertainty in the pseudo label generation process using a conditional distribution. The samples drawn from our conditional distribution provide accurate pseudo labels due to the use of semantic class aware unary terms, boundary aware pairwise smoothness terms, and annotation aware higher order terms. Furthermore, we represent the instance segmentation model as an annotation agnostic prediction distribution. In contrast to previous methods, our representation allows us to define a joint probabilistic learning objective that minimizes the dissimilarity between the two distributions. Our approach achieves state of the art results on the PASCAL VOC 2012 data set, outperforming the best baseline by 4.2% [email protected] and 4.8% [email protected].

Reinforcement learning (RL) algorithms aim to balance exploiting the current best strategy with exploring new options that could lead to higher rewards. Most common RL algorithms use undirected exploration, i.e., select random sequences of actions. Exploration can also be directed using intrinsic rewards, such as curiosity or model epistemic uncertainty. However, effectively balancing task and intrinsic rewards is challenging and often task-dependent. In this work, we introduce a framework, MaxInfoRL, for balancing intrinsic and extrinsic exploration. MaxInfoRL steers exploration towards informative transitions, by maximizing intrinsic rewards such as the information gain about the underlying task. When combined with Boltzmann exploration, this approach naturally trades off maximization of the value function with that of the entropy over states, rewards, and actions. We show that our approach achieves sublinear regret in the simplified setting of multi-armed bandits. We then apply this general formulation to a variety of off-policy model-free RL methods for continuous state-action spaces, yielding novel algorithms that achieve superior performance across hard exploration problems and complex scenarios such as visual control tasks.

Leveraging the models' outputs, specifically the logits, is a common approach to estimating the test accuracy of a pre-trained neural network on out-of-distribution (OOD) samples without requiring access to the corresponding ground truth labels. Despite their ease of implementation and computational efficiency, current logit-based methods are vulnerable to overconfidence issues, leading to prediction bias, especially under the natural shift. In this work, we first study the relationship between logits and generalization performance from the view of low-density separation assumption. Our findings motivate our proposed method MaNo which (1) applies a data-dependent normalization on the logits to reduce prediction bias, and (2) takes the L_p norm of the matrix of normalized logits as the estimation score. Our theoretical analysis highlights the connection between the provided score and the model's uncertainty. We conduct an extensive empirical study on common unsupervised accuracy estimation benchmarks and demonstrate that MaNo achieves state-of-the-art performance across various architectures in the presence of synthetic, natural, or subpopulation shifts.

As Large Language Models (LLMs) continue to progress toward more advanced forms of intelligence, Reinforcement Learning from Human Feedback (RLHF) is increasingly seen as a key pathway toward achieving Artificial General Intelligence (AGI). However, the reliance on reward-model-based (RM-based) alignment methods introduces significant challenges due to the inherent instability and imperfections of Reward Models (RMs), which can lead to critical issues such as reward hacking and misalignment with human intentions. In this paper, we introduce a reward-robust RLHF framework aimed at addressing these fundamental challenges, paving the way for more reliable and resilient learning in LLMs. Our approach introduces a novel optimization objective that carefully balances performance and robustness by incorporating Bayesian Reward Model Ensembles (BRME) to model the uncertainty set of reward functions. This allows the framework to integrate both nominal performance and minimum reward signals, ensuring more stable learning even with imperfect reward models. Empirical results demonstrate that our framework consistently outperforms traditional RLHF across diverse benchmarks, showing improved accuracy and long-term stability. We also provide a theoretical analysis, demonstrating that reward-robust RLHF approaches the stability of constant reward settings, which proves to be effective in a stochastic-case analysis. Together, these contributions highlight the framework potential to enhance both the performance and stability of LLM alignment with RLHF.

Mixup data augmentation approaches have been applied for various tasks of deep learning to improve the generalization ability of deep neural networks. Some existing approaches CutMix, SaliencyMix, etc. randomly replace a patch in one image with patches from another to generate the mixed image. Similarly, the corresponding labels are linearly combined by a fixed ratio lambda by l. The objects in two images may be overlapped during the mixing process, so some semantic information is corrupted in the mixed samples. In this case, the mixed image does not match the mixed label information. Besides, such a label may mislead the deep learning model training, which results in poor performance. To solve this problem, we proposed a novel approach named SUMix to learn the mixing ratio as well as the uncertainty for the mixed samples during the training process. First, we design a learnable similarity function to compute an accurate mix ratio. Second, an approach is investigated as a regularized term to model the uncertainty of the mixed samples. We conduct experiments on five image benchmarks, and extensive experimental results imply that our method is capable of improving the performance of classifiers with different cutting-based mixup approaches. The source code is available at https://github.com/JinXins/SUMix.

We consider the task of learning to estimate human pose in still images. In order to avoid the high cost of full supervision, we propose to use a diverse data set, which consists of two types of annotations: (i) a small number of images are labeled using the expensive ground-truth pose; and (ii) other images are labeled using the inexpensive action label. As action information helps narrow down the pose of a human, we argue that this approach can help reduce the cost of training without significantly affecting the accuracy. To demonstrate this we design a probabilistic framework that employs two distributions: (i) a conditional distribution to model the uncertainty over the human pose given the image and the action; and (ii) a prediction distribution, which provides the pose of an image without using any action information. We jointly estimate the parameters of the two aforementioned distributions by minimizing their dissimilarity coefficient, as measured by a task-specific loss function. During both training and testing, we only require an efficient sampling strategy for both the aforementioned distributions. This allows us to use deep probabilistic networks that are capable of providing accurate pose estimates for previously unseen images. Using the MPII data set, we show that our approach outperforms baseline methods that either do not use the diverse annotations or rely on pointwise estimates of the pose.

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

How do large language models understand moral dimensions compared to humans? This first large-scale Bayesian evaluation of market-leading language models provides the answer. In contrast to prior work using deterministic ground truth (majority or inclusion rules), we model annotator disagreements to capture both aleatoric uncertainty (inherent human disagreement) and epistemic uncertainty (model domain sensitivity). We evaluate top language models (Claude Sonnet 4, DeepSeek-V3, Llama 4 Maverick) across 250K+ annotations from ~700 annotators on 100K+ texts spanning social media, news, and forums. Our GPU-optimized Bayesian framework processed 1M+ model queries, revealing that AI models typically rank among the top 25\% of human annotators, achieving much better-than-average balanced accuracy. Importantly, we find that AI produces far fewer false negatives than humans, highlighting their more sensitive moral detection capabilities.

Safe deployment of large language models (LLMs) may benefit from a reliable method for assessing their generated content to determine when to abstain or to selectively generate. While likelihood-based metrics such as perplexity are widely employed, recent research has demonstrated the limitations of using sequence-level probability estimates given by LLMs as reliable indicators of generation quality. Conversely, LLMs have demonstrated strong calibration at the token level, particularly when it comes to choosing correct answers in multiple-choice questions or evaluating true/false statements. In this work, we reformulate open-ended generation tasks into token-level prediction tasks, and leverage LLMs' superior calibration at the token level. We instruct an LLM to self-evaluate its answers, employing either a multi-way comparison or a point-wise evaluation approach, with the option to include a ``None of the above'' option to express the model's uncertainty explicitly. We benchmark a range of scoring methods based on self-evaluation and evaluate their performance in selective generation using TruthfulQA and TL;DR. Through experiments with PaLM-2 and GPT-3, we demonstrate that self-evaluation based scores not only improve accuracy, but also correlate better with the overall quality of generated content.

This paper aims to improve the performance of large language models by addressing the variable computational demands in inference steps, where some tokens require more computational resources than others. We present HARP, a simple modification to "off-the-shelf" Transformer forward pass. Drawing from hesitation and the framing effect in decision-making, HARP selectively applies additional computation when the model encounters uncertainty during token generation. Our method mimics human cognitive processes by pausing at difficult decision points and reframing inputs for a different perspective. Unlike other approaches, HARP is model-agnostic, training-free, and easy to implement. We thoroughly evaluate our method across various downstream tasks and model sizes, demonstrating performance improvements up to +5.16%. Notably, HARP achieves these gains while maintaining inference times twice faster than beam search. Simple and yet with significant gains, HARP offers a practical solution for enhancing the performance of Transformer-based language models with minimal computational impact.

In this paper, we present and implement a multi-dimensional, modular framework for performing deep argument analysis (DeepA2) using current pre-trained language models (PTLMs). ArgumentAnalyst -- a T5 model (Raffel et al. 2020) set up and trained within DeepA2 -- reconstructs argumentative texts, which advance an informal argumentation, as valid arguments: It inserts, e.g., missing premises and conclusions, formalizes inferences, and coherently links the logical reconstruction to the source text. We create a synthetic corpus for deep argument analysis, and evaluate ArgumentAnalyst on this new dataset as well as on existing data, specifically EntailmentBank (Dalvi et al. 2021). Our empirical findings vindicate the overall framework and highlight the advantages of a modular design, in particular its ability to emulate established heuristics (such as hermeneutic cycles), to explore the model's uncertainty, to cope with the plurality of correct solutions (underdetermination), and to exploit higher-order evidence.

Factual questions typically can be answered correctly at different levels of granularity. For example, both ``August 4, 1961'' and ``1961'' are correct answers to the question ``When was Barack Obama born?''. Standard question answering (QA) evaluation protocols, however, do not explicitly take this into account and compare a predicted answer against answers of a single granularity level. In this work, we propose GRANOLA QA, a novel evaluation setting where a predicted answer is evaluated in terms of accuracy and informativeness against a set of multi-granularity answers. We present a simple methodology for enriching existing datasets with multi-granularity answers, and create GRANOLA-EQ, a multi-granularity version of the EntityQuestions dataset. We evaluate a range of decoding methods on GRANOLA-EQ, including a new algorithm, called Decoding with Response Aggregation (DRAG), that is geared towards aligning the response granularity with the model's uncertainty. Our experiments show that large language models with standard decoding tend to generate specific answers, which are often incorrect. In contrast, when evaluated on multi-granularity answers, DRAG yields a nearly 20 point increase in accuracy on average, which further increases for rare entities. Overall, this reveals that standard evaluation and decoding schemes may significantly underestimate the knowledge encapsulated in LMs.

Models trained on different datasets can be merged by a weighted-averaging of their parameters, but why does it work and when can it fail? Here, we connect the inaccuracy of weighted-averaging to mismatches in the gradients and propose a new uncertainty-based scheme to improve the performance by reducing the mismatch. The connection also reveals implicit assumptions in other schemes such as averaging, task arithmetic, and Fisher-weighted averaging. Our new method gives consistent improvements for large language models and vision transformers, both in terms of performance and robustness to hyperparameters.

As LLM-as-a-Judge emerges as a new paradigm for assessing large language models (LLMs), concerns have been raised regarding the alignment, bias, and stability of LLM evaluators. While substantial work has focused on alignment and bias, little research has concentrated on the stability of LLM evaluators. In this paper, we conduct extensive experiments involving 9 widely used LLM evaluators across 2 different evaluation settings to investigate the uncertainty in model-based LLM evaluations. We pinpoint that LLM evaluators exhibit varying uncertainty based on model families and sizes. With careful comparative analyses, we find that employing special prompting strategies, whether during inference or post-training, can alleviate evaluation uncertainty to some extent. By utilizing uncertainty to enhance LLM's reliability and detection capability in Out-Of-Distribution (OOD) data, we further fine-tune an uncertainty-aware LLM evaluator named ConfiLM using a human-annotated fine-tuning set and assess ConfiLM's OOD evaluation ability on a manually designed test set sourced from the 2024 Olympics. Experimental results demonstrate that incorporating uncertainty as additional information during the fine-tuning phase can largely improve the model's evaluation performance in OOD scenarios. The code and data are released at: https://github.com/hasakiXie123/LLM-Evaluator-Uncertainty.

Self-supervision provides effective representations for downstream tasks without requiring labels. However, existing approaches lag behind fully supervised training and are often not thought beneficial beyond obviating or reducing the need for annotations. We find that self-supervision can benefit robustness in a variety of ways, including robustness to adversarial examples, label corruption, and common input corruptions. Additionally, self-supervision greatly benefits out-of-distribution detection on difficult, near-distribution outliers, so much so that it exceeds the performance of fully supervised methods. These results demonstrate the promise of self-supervision for improving robustness and uncertainty estimation and establish these tasks as new axes of evaluation for future self-supervised learning research.

We present UncertaintyRAG, a novel approach for long-context Retrieval-Augmented Generation (RAG) that utilizes Signal-to-Noise Ratio (SNR)-based span uncertainty to estimate similarity between text chunks. This span uncertainty enhances model calibration, improving robustness and mitigating semantic inconsistencies introduced by random chunking. Leveraging this insight, we propose an efficient unsupervised learning technique to train the retrieval model, alongside an effective data sampling and scaling strategy. UncertaintyRAG outperforms baselines by 2.03% on LLaMA-2-7B, achieving state-of-the-art results while using only 4% of the training data compared to other advanced open-source retrieval models under distribution shift settings. Our method demonstrates strong calibration through span uncertainty, leading to improved generalization and robustness in long-context RAG tasks. Additionally, UncertaintyRAG provides a lightweight retrieval model that can be integrated into any large language model with varying context window lengths, without the need for fine-tuning, showcasing the flexibility of our approach.

Large Language Models are known to capture real-world knowledge, allowing them to excel in many downstream tasks. Despite recent advances, these models are still prone to what are commonly known as hallucinations, causing them to emit unwanted and factually incorrect text. In this work, we propose a novel calibration method that can be used to combat hallucinations. We add a special [IDK] ("I don't know") token to the model's vocabulary and introduce an objective function that shifts probability mass to the [IDK] token for incorrect predictions. This approach allows the model to express uncertainty in its output explicitly. We evaluate our proposed method across multiple model architectures and factual downstream tasks. We find that models trained with our method are able to express uncertainty in places where they would previously make mistakes while suffering only a small loss of encoded knowledge. We further perform extensive ablation studies of multiple variations of our approach and provide a detailed analysis of the precision-recall tradeoff of our method.

Battery degradation remains a critical challenge in the pursuit of green technologies and sustainable energy solutions. Despite significant research efforts, predicting battery capacity loss accurately remains a formidable task due to its complex nature, influenced by both aging and cycling behaviors. To address this challenge, we introduce a novel general-purpose model for battery degradation prediction and synthesis, DiffBatt. Leveraging an innovative combination of conditional and unconditional diffusion models with classifier-free guidance and transformer architecture, DiffBatt achieves high expressivity and scalability. DiffBatt operates as a probabilistic model to capture uncertainty in aging behaviors and a generative model to simulate battery degradation. The performance of the model excels in prediction tasks while also enabling the generation of synthetic degradation curves, facilitating enhanced model training by data augmentation. In the remaining useful life prediction task, DiffBatt provides accurate results with a mean RMSE of 196 cycles across all datasets, outperforming all other models and demonstrating superior generalizability. This work represents an important step towards developing foundational models for battery degradation.

Effective interlocutors account for the uncertain goals, beliefs, and emotions of others. But even the best human conversationalist cannot perfectly anticipate the trajectory of a dialogue. How well can language models represent inherent uncertainty in conversations? We propose FortUne Dial, an expansion of the long-standing "conversation forecasting" task: instead of just accuracy, evaluation is conducted with uncertainty-aware metrics, effectively enabling abstention on individual instances. We study two ways in which language models potentially represent outcome uncertainty (internally, using scores and directly, using tokens) and propose fine-tuning strategies to improve calibration of both representations. Experiments on eight difficult negotiation corpora demonstrate that our proposed fine-tuning strategies (a traditional supervision strategy and an off-policy reinforcement learning strategy) can calibrate smaller open-source models to compete with pre-trained models 10x their size.

The detection and classification of exfoliated two-dimensional (2D) material flakes from optical microscope images can be automated using computer vision algorithms. This has the potential to increase the accuracy and objectivity of classification and the efficiency of sample fabrication, and it allows for large-scale data collection. Existing algorithms often exhibit challenges in identifying low-contrast materials and typically require large amounts of training data. Here, we present a deep learning model, called MaskTerial, that uses an instance segmentation network to reliably identify 2D material flakes. The model is extensively pre-trained using a synthetic data generator, that generates realistic microscopy images from unlabeled data. This results in a model that can to quickly adapt to new materials with as little as 5 to 10 images. Furthermore, an uncertainty estimation model is used to finally classify the predictions based on optical contrast. We evaluate our method on eight different datasets comprising five different 2D materials and demonstrate significant improvements over existing techniques in the detection of low-contrast materials such as hexagonal boron nitride.

Binary classification involves predicting the label of an instance based on whether the model score for the positive class exceeds a threshold chosen based on the application requirements (e.g., maximizing recall for a precision bound). However, model scores are often not aligned with the true positivity rate. This is especially true when the training involves a differential sampling across classes or there is distributional drift between train and test settings. In this paper, we provide theoretical analysis and empirical evidence of the dependence of model score estimation bias on both uncertainty and score itself. Further, we formulate the decision boundary selection in terms of both model score and uncertainty, prove that it is NP-hard, and present algorithms based on dynamic programming and isotonic regression. Evaluation of the proposed algorithms on three real-world datasets yield 25%-40% gain in recall at high precision bounds over the traditional approach of using model score alone, highlighting the benefits of leveraging uncertainty.

Hallucination in large language models (LLMs) can be detected by assessing the uncertainty of model outputs, typically measured using entropy. Semantic entropy (SE) enhances traditional entropy estimation by quantifying uncertainty at the semantic cluster level. However, as modern LLMs generate longer one-sentence responses, SE becomes less effective because it overlooks two crucial factors: intra-cluster similarity (the spread within a cluster) and inter-cluster similarity (the distance between clusters). To address these limitations, we propose a simple black-box uncertainty quantification method inspired by nearest neighbor estimates of entropy. Our approach can also be easily extended to white-box settings by incorporating token probabilities. Additionally, we provide theoretical results showing that our method generalizes semantic entropy. Extensive empirical results demonstrate its effectiveness compared to semantic entropy across two recent LLMs (Phi3 and Llama3) and three common text generation tasks: question answering, text summarization, and machine translation. Our code is available at https://github.com/BigML-CS-UCLA/SNNE.

In this paper, we approach the problem of uncertainty quantification in deep learning through a predictive framework, which captures uncertainty in model parameters by specifying our assumptions about the predictive distribution of unseen future data. Under this view, we show that deep ensembling (Lakshminarayanan et al., 2017) is a fundamentally mis-specified model class, since it assumes that future data are supported on existing observations only -- a situation rarely encountered in practice. To address this limitation, we propose MixupMP, a method that constructs a more realistic predictive distribution using popular data augmentation techniques. MixupMP operates as a drop-in replacement for deep ensembles, where each ensemble member is trained on a random simulation from this predictive distribution. Grounded in the recently-proposed framework of Martingale posteriors (Fong et al., 2023), MixupMP returns samples from an implicitly defined Bayesian posterior. Our empirical analysis showcases that MixupMP achieves superior predictive performance and uncertainty quantification on various image classification datasets, when compared with existing Bayesian and non-Bayesian approaches.

Predictive uncertainty estimation is essential for safe deployment of Deep Neural Networks in real-world autonomous systems. However, disentangling the different types and sources of uncertainty is non trivial for most datasets, especially since there is no ground truth for uncertainty. In addition, while adverse weather conditions of varying intensities can disrupt neural network predictions, they are usually under-represented in both training and test sets in public datasets.We attempt to mitigate these setbacks and introduce the MUAD dataset (Multiple Uncertainties for Autonomous Driving), consisting of 10,413 realistic synthetic images with diverse adverse weather conditions (night, fog, rain, snow), out-of-distribution objects, and annotations for semantic segmentation, depth estimation, object, and instance detection. MUAD allows to better assess the impact of different sources of uncertainty on model performance. We conduct a thorough experimental study of this impact on several baseline Deep Neural Networks across multiple tasks, and release our dataset to allow researchers to benchmark their algorithm methodically in adverse conditions. More visualizations and the download link for MUAD are available at https://muad-dataset.github.io/.

Electrocardiogram (ECG) is a widely used tool for assessing cardiac function due to its low cost and accessibility. Emergent research shows that ECGs can help make predictions on key outcomes traditionally derived from more complex modalities such as echocardiograms (ECHO), enabling the use of ECGs as a more accessible method to predict broader measurements of cardiac function. ECHO, in particular, are of great importance because they require considerable hospital resources while playing a key role in clinical cardiac assessment. To aid this use case, we introduce EchoingECG, a probabilistic student-teacher model that leverages uncertainty-aware ECG embeddings and ECHO supervision to improve ECG-based cardiac function prediction. Our approach integrates Probabilistic Cross-Modal Embeddings (PCME++), a probabilistic contrastive framework, with ECHO-CLIP, a vision-language pre-trained model trained on ECHO-text pairs, to distill ECHO knowledge into ECG representations. Through experiments and external validation, we showed that EchoingECG outperforms state-of-the-art foundation ECG models in zero-shot, few-shot, and fine-tune settings for ECHO predictions based on ECG. We also highlighted that variance estimation (enabled through our method) enhanced our understanding of model performance by identifying underlying regions of uncertainty within ECGs. The code is available: https://github.com/mcintoshML/EchoingECG.

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques usually incur overhead by having to train multiple model instances or do not produce very diverse predictions. This comprehensive and extensive survey aims to familiarize the reader with an alternative class of models based on the concept of Evidential Deep Learning: For unfamiliar data, they aim to admit "what they don't know", and fall back onto a prior belief. Furthermore, they allow uncertainty estimation in a single model and forward pass by parameterizing distributions over distributions. This survey recapitulates existing works, focusing on the implementation in a classification setting, before surveying the application of the same paradigm to regression. We also reflect on the strengths and weaknesses compared to other existing methods and provide the most fundamental derivations using a unified notation to aid future research.

We present a state-of-the-art model for fine-grained probability estimation of propositions conditioned on context. Recent advances in large language models (LLMs) have significantly enhanced their reasoning capabilities, particularly on well-defined tasks with complete information. However, LLMs continue to struggle with making accurate and well-calibrated probabilistic predictions under uncertainty or partial information. While incorporating uncertainty into model predictions often boosts performance, obtaining reliable estimates of that uncertainty remains understudied. In particular, LLM probability estimates tend to be coarse and biased towards more frequent numbers. Through a combination of human and synthetic data creation and assessment, scaling to larger models, and better supervision, we propose a set of strong and precise probability estimation models. We conduct systematic evaluations across tasks that rely on conditional probability estimation and show that our approach consistently outperforms existing fine-tuned and prompting-based methods by a large margin.

Large Language Models (LLMs) often produce plausible but poorly-calibrated answers, limiting their reliability on reasoning-intensive tasks. We present Reinforcement Learning from Self-Feedback (RLSF), a post-training stage that uses the model's own confidence as an intrinsic reward, mimicking how humans learn in the absence of external feedback. After a frozen LLM generates several chain-of-thought solutions, we define and compute the confidence of each final answer span and rank the traces accordingly. These synthetic preferences are then used to fine-tune the policy with standard preference optimization, similar to RLHF yet requiring no human labels, gold answers, or externally curated rewards. RLSF simultaneously (i) refines the model's probability estimates -- restoring well-behaved calibration -- and (ii) strengthens step-by-step reasoning, yielding improved performance on arithmetic reasoning and multiple-choice question answering. By turning a model's own uncertainty into useful self-feedback, RLSF affirms reinforcement learning on intrinsic model behaviour as a principled and data-efficient component of the LLM post-training pipeline and warrents further research in intrinsic rewards for LLM post-training.

Despite their impressive capabilities, multimodal large language models (MLLMs) are prone to hallucinations, i.e., the generated content that is nonsensical or unfaithful to input sources. Unlike in LLMs, hallucinations in MLLMs often stem from the sensitivity of text decoder to visual tokens, leading to a phenomenon akin to "amnesia" about visual information. To address this issue, we propose MemVR, a novel decoding paradigm inspired by common cognition: when the memory of an image seen the moment before is forgotten, people will look at it again for factual answers. Following this principle, we treat visual tokens as supplementary evidence, re-injecting them into the MLLM through Feed Forward Network (FFN) as "key-value memory" at the middle trigger layer. This "look-twice" mechanism occurs when the model exhibits high uncertainty during inference, effectively enhancing factual alignment. Comprehensive experimental evaluations demonstrate that MemVR significantly mitigates hallucination across various MLLMs and excels in general benchmarks without incurring additional time overhead. The implementation is available from https://github.com/1zhou-Wang/MemVR

The common approach to communicate a large language model's (LLM) uncertainty is to add a percentage number or a hedging word to its response. But is this all we can do? Instead of generating a single answer and then hedging it, an LLM that is fully transparent to the user needs to be able to reflect on its internal belief distribution and output a summary of all options it deems possible, and how likely they are. To test whether LLMs possess this capability, we develop the SelfReflect metric, an information-theoretic distance between a given summary and a distribution over answers. In interventional and human studies, we find that SelfReflect indicates even slight deviations, yielding a fine measure of faithfulness between a summary string and an LLM's actual internal distribution over answers. With SelfReflect, we make a resounding negative observation: modern LLMs are, across the board, incapable of revealing what they are uncertain about, neither through reasoning, nor chains-of-thoughts, nor explicit finetuning. However, we do find that LLMs are able to generate faithful summaries of their uncertainties if we help them by sampling multiple outputs and feeding them back into the context. This simple approach shines a light at the universal way of communicating LLM uncertainties whose future development the SelfReflect score enables.

Large language models (LLMs) frequently hallucinate due to misaligned self-awareness, generating erroneous outputs when addressing queries beyond their knowledge boundaries. While existing approaches mitigate hallucinations via uncertainty estimation or query rejection, they suffer from computational inefficiency or sacrificed helpfulness. To address these issues, we propose the Explicit Knowledge Boundary Modeling (EKBM) framework, integrating fast and slow reasoning systems to harmonize reliability and usability. The framework first employs a fast-thinking model to generate confidence-labeled responses, enabling immediate use of high-confidence outputs. For uncertain predictions, a slow refinement model conducts targeted reasoning to improve accuracy. To align model behavior with our proposed object, we propose a hybrid training pipeline, enhancing self-awareness without degrading task performance. Evaluations on dialogue state tracking tasks demonstrate that EKBM achieves superior model reliability over uncertainty-based baselines. Further analysis reveals that refinement substantially boosts accuracy while maintaining low computational overhead. Our work establishes a scalable paradigm for advancing LLM reliability and balancing accuracy and practical utility in error-sensitive applications.

Active learning is a machine learning paradigm that aims to improve the performance of a model by strategically selecting and querying unlabeled data. One effective selection strategy is to base it on the model's predictive uncertainty, which can be interpreted as a measure of how informative a sample is. The sample's distance to the decision boundary is a natural measure of predictive uncertainty, but it is often intractable to compute, especially for complex decision boundaries formed in multiclass classification tasks. To address this issue, this paper proposes the {\it least disagree metric} (LDM), defined as the smallest probability of disagreement of the predicted label, and an estimator for LDM proven to be asymptotically consistent under mild assumptions. The estimator is computationally efficient and can be easily implemented for deep learning models using parameter perturbation. The LDM-based active learning is performed by querying unlabeled data with the smallest LDM. Experimental results show that our LDM-based active learning algorithm obtains state-of-the-art overall performance on all considered datasets and deep architectures.

Although weakly-supervised techniques can reduce the labeling effort, it is unclear whether a saliency model trained with weakly-supervised data (e.g., point annotation) can achieve the equivalent performance of its fully-supervised version. This paper attempts to answer this unexplored question by proving a hypothesis: there is a point-labeled dataset where saliency models trained on it can achieve equivalent performance when trained on the densely annotated dataset. To prove this conjecture, we proposed a novel yet effective adversarial trajectory-ensemble active learning (ATAL). Our contributions are three-fold: 1) Our proposed adversarial attack triggering uncertainty can conquer the overconfidence of existing active learning methods and accurately locate these uncertain pixels. {2)} Our proposed trajectory-ensemble uncertainty estimation method maintains the advantages of the ensemble networks while significantly reducing the computational cost. {3)} Our proposed relationship-aware diversity sampling algorithm can conquer oversampling while boosting performance. Experimental results show that our ATAL can find such a point-labeled dataset, where a saliency model trained on it obtained 97% -- 99% performance of its fully-supervised version with only ten annotated points per image.

Unsupervised domain adaptive (UDA) algorithms can markedly enhance the performance of object detectors under conditions of domain shifts, thereby reducing the necessity for extensive labeling and retraining. Current domain adaptive object detection algorithms primarily cater to two-stage detectors, which tend to offer minimal improvements when directly applied to single-stage detectors such as YOLO. Intending to benefit the YOLO detector from UDA, we build a comprehensive domain adaptive architecture using a teacher-student cooperative system for the YOLO detector. In this process, we propose uncertainty learning to cope with pseudo-labeling generated by the teacher model with extreme uncertainty and leverage dynamic data augmentation to asymptotically adapt the teacher-student system to the environment. To address the inability of single-stage object detectors to align at multiple stages, we utilize a unified visual contrastive learning paradigm that aligns instance at backbone and head respectively, which steadily improves the robustness of the detectors in cross-domain tasks. In summary, we present an unsupervised domain adaptive YOLO detector based on visual contrastive learning (CLDA-YOLO), which achieves highly competitive results across multiple domain adaptive datasets without any reduction in inference speed.

Though Large Language Models (LLMs) have demonstrated the powerful capabilities of few-shot learning through prompting methods, supervised training is still necessary for complex reasoning tasks. Because of their extensive parameters and memory consumption, both Parameter-Efficient Fine-Tuning (PEFT) methods and Memory-Efficient Fine-Tuning methods have been proposed for LLMs. Nevertheless, the issue of large annotated data consumption, the aim of Data-Efficient Fine-Tuning, remains unexplored. One obvious way is to combine the PEFT method with active learning. However, the experimental results show that such a combination is not trivial and yields inferior results. Through probe experiments, such observation might be explained by two main reasons: uncertainty gap and poor model calibration. Therefore, in this paper, we propose a novel approach to effectively integrate uncertainty-based active learning and LoRA. Specifically, for the uncertainty gap, we introduce a dynamic uncertainty measurement that combines the uncertainty of the base model and the uncertainty of the full model during the iteration of active learning. For poor model calibration, we incorporate the regularization method during LoRA training to keep the model from being over-confident, and the Monte-Carlo dropout mechanism is employed to enhance the uncertainty estimation. Experimental results show that the proposed approach outperforms existing baseline models on three complex reasoning tasks.

Achieving fully autonomous driving with heightened safety and efficiency depends on vehicle-to-everything (V2X) cooperative perception (CP), which allows vehicles to share perception data, thereby enhancing situational awareness and overcoming the limitations of the sensing ability of individual vehicles. V2X CP is crucial for extending perception range, improving accuracy, and strengthening the decision-making and control capabilities of autonomous vehicles in complex environments. This paper provides a comprehensive survey of recent advances in V2X CP, introducing mathematical models of CP processes across various collaboration strategies. We examine essential techniques for reliable perception sharing, including agent selection, data alignment, and fusion methods. Key issues are analyzed, such as agent and model heterogeneity, perception uncertainty, and the impact of V2X communication constraints like delays and data loss on CP effectiveness. To inspire further advancements in V2X CP, we outline promising avenues, including privacy-preserving artificial intelligence (AI), collaborative AI, and integrated sensing frameworks, as pathways to enhance CP capabilities.

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

Word-level quality estimation (WQE) aims to automatically identify fine-grained error spans in machine-translated outputs and has found many uses, including assisting translators during post-editing. Modern WQE techniques are often expensive, involving prompting of large language models or ad-hoc training on large amounts of human-labeled data. In this work, we investigate efficient alternatives exploiting recent advances in language model interpretability and uncertainty quantification to identify translation errors from the inner workings of translation models. In our evaluation spanning 14 metrics across 12 translation directions, we quantify the impact of human label variation on metric performance by using multiple sets of human labels. Our results highlight the untapped potential of unsupervised metrics, the shortcomings of supervised methods when faced with label uncertainty, and the brittleness of single-annotator evaluation practices.

The robustness of legged locomotion is crucial for quadrupedal robots in challenging terrains. Recently, Reinforcement Learning (RL) has shown promising results in legged locomotion and various methods try to integrate privileged distillation, scene modeling, and external sensors to improve the generalization and robustness of locomotion policies. However, these methods are hard to handle uncertain scenarios such as abrupt terrain changes or unexpected external forces. In this paper, we consider a novel risk-sensitive perspective to enhance the robustness of legged locomotion. Specifically, we employ a distributional value function learned by quantile regression to model the aleatoric uncertainty of environments, and perform risk-averse policy learning by optimizing the worst-case scenarios via a risk distortion measure. Extensive experiments in both simulation environments and a real Aliengo robot demonstrate that our method is efficient in handling various external disturbances, and the resulting policy exhibits improved robustness in harsh and uncertain situations in legged locomotion. Videos are available at https://risk-averse-locomotion.github.io/.

Neurosymbolic (NeSy) predictors combine neural perception with symbolic reasoning to solve tasks like visual reasoning. However, standard NeSy predictors assume conditional independence between the symbols they extract, thus limiting their ability to model interactions and uncertainty - often leading to overconfident predictions and poor out-of-distribution generalisation. To overcome the limitations of the independence assumption, we introduce neurosymbolic diffusion models (NeSyDMs), a new class of NeSy predictors that use discrete diffusion to model dependencies between symbols. Our approach reuses the independence assumption from NeSy predictors at each step of the diffusion process, enabling scalable learning while capturing symbol dependencies and uncertainty quantification. Across both synthetic and real-world benchmarks - including high-dimensional visual path planning and rule-based autonomous driving - NeSyDMs achieve state-of-the-art accuracy among NeSy predictors and demonstrate strong calibration.

In many industries, predicting metric outcomes of large systems is a fundamental problem, driven largely by traditional tabular regression. However, such methods struggle on complex systems data in the wild such as configuration files or system logs, where feature engineering is often infeasible. We propose text-to-text regression as a general, scalable alternative. For predicting resource efficiency on Borg, Google's massive compute cluster scheduling system, a 60M parameter encoder-decoder, trained from random initialization, achieves up to a near perfect 0.99 (0.9 average) rank correlation across the entire fleet, and 100x lower MSE than tabular approaches. The model also easily adapts to new tasks in only 500 few-shot examples and captures the densities of complex outcome distributions. Ablation studies highlight the importance of using encoders, increasing sequence length, and the model's inherent uncertainty quantification. These findings pave the way for universal simulators of real-world outcomes.

Quantitative tools are increasingly appealing for decision support in healthcare, driven by the growing capabilities of advanced AI systems. However, understanding the predictive uncertainties surrounding a tool's output is crucial for decision-makers to ensure reliable and transparent decisions. In this paper, we present a case study on pulmonary nodule detection for lung cancer screening, enhancing an advanced detection model with an uncertainty quantification technique called conformal risk control (CRC). We demonstrate that prediction sets with conformal guarantees are attractive measures of predictive uncertainty in the safety-critical healthcare domain, allowing end-users to achieve arbitrary validity by trading off false positives and providing formal statistical guarantees on model performance. Among ground-truth nodules annotated by at least three radiologists, our model achieves a sensitivity that is competitive with that generally achieved by individual radiologists, with a slight increase in false positives. Furthermore, we illustrate the risks of using off-the-shelve prediction models when faced with ontological uncertainty, such as when radiologists disagree on what constitutes the ground truth on pulmonary nodules.

Generating synthetic data through generative models is gaining interest in the ML community and beyond, promising a future where datasets can be tailored to individual needs. Unfortunately, synthetic data is usually not perfect, resulting in potential errors in downstream tasks. In this work we explore how the generative process affects the downstream ML task. We show that the naive synthetic data approach -- using synthetic data as if it is real -- leads to downstream models and analyses that do not generalize well to real data. As a first step towards better ML in the synthetic data regime, we introduce Deep Generative Ensemble (DGE) -- a framework inspired by Deep Ensembles that aims to implicitly approximate the posterior distribution over the generative process model parameters. DGE improves downstream model training, evaluation, and uncertainty quantification, vastly outperforming the naive approach on average. The largest improvements are achieved for minority classes and low-density regions of the original data, for which the generative uncertainty is largest.

The mathematical problem-solving capabilities of large language models have become a focal point of research, with growing interests in leveraging self-generated reasoning paths as a promising way to refine and enhance these models. These paths capture step-by-step logical processes while requiring only the correct answer for supervision. The self-training method has been shown to be effective in reasoning tasks while eliminating the need for external models and manual annotations. However, optimizing the use of self-generated data for model training remains an open challenge. In this work, we propose Entropy-Based Adaptive Weighting for Self-Training (EAST), an adaptive weighting strategy designed to prioritize uncertain data during self-training. Specifically, EAST employs a mapping function with a tunable parameter that controls the sharpness of the weighting, assigning higher weights to data where the model exhibits greater uncertainty. This approach guides the model to focus on more informative and challenging examples, thereby enhancing its reasoning ability. We evaluate our approach on GSM8K and MATH benchmarks. Empirical results show that, while the vanilla method yields virtually no improvement (0%) on MATH, EAST achieves around a 1% gain over backbone model. On GSM8K, EAST attains a further 1-2% performance boost compared to the vanilla method.

Label smoothing (LS) is a popular regularisation method for training deep neural network classifiers due to its effectiveness in improving test accuracy and its simplicity in implementation. "Hard" one-hot labels are "smoothed" by uniformly distributing probability mass to other classes, reducing overfitting. In this work, we reveal that LS negatively affects selective classification (SC) - where the aim is to reject misclassifications using a model's predictive uncertainty. We first demonstrate empirically across a range of tasks and architectures that LS leads to a consistent degradation in SC. We then explain this by analysing logit-level gradients, showing that LS exacerbates overconfidence and underconfidence by regularising the max logit more when the probability of error is low, and less when the probability of error is high. This elucidates previously reported experimental results where strong classifiers underperform in SC. We then demonstrate the empirical effectiveness of logit normalisation for recovering lost SC performance caused by LS. Furthermore, based on our gradient analysis, we explain why such normalisation is effective. We will release our code shortly.

This paper presents a novel guidance law for target tracking applications where the target motion model is unknown and sensor measurements are intermittent due to unknown environmental conditions and low measurement update rate. In this work, the target motion model is represented by a transformer neural network and trained by previous target position measurements. This transformer motion model serves as the prediction step in a particle filter for target state estimation and uncertainty quantification. The particle filter estimation uncertainty is utilized in the information-driven guidance law to compute a path for the mobile agent to travel to a position with maximum expected entropy reduction (EER). The computation of EER is performed in real-time by approximating the information gain from the predicted particle distributions relative to the current distribution. Simulation and hardware experiments are performed with a quadcopter agent and TurtleBot target to demonstrate that the presented guidance law outperforms two other baseline guidance methods.

Reward models (RM) play a critical role in aligning generations of large language models (LLM) to human expectations. However, prevailing RMs fail to capture the stochasticity within human preferences and cannot effectively evaluate the reliability of reward predictions. To address these issues, we propose Uncertain-aware RM (URM) and Uncertain-aware RM Ensemble (URME) to incorporate and manage uncertainty in reward modeling. URM can model the distribution of disentangled attributes within human preferences, while URME quantifies uncertainty through discrepancies in the ensemble, thereby identifying potential lack of knowledge during reward evaluation. Experiment results indicate that the proposed URM achieves state-of-the-art performance compared to models with the same size, demonstrating the effectiveness of modeling uncertainty within human preferences. Furthermore, empirical results show that through uncertainty quantification, URM and URME can identify unreliable predictions to improve the quality of reward evaluations.

As instruction-tuned large language models (LLMs) evolve, aligning pretrained foundation models presents increasing challenges. Existing alignment strategies, which typically leverage diverse and high-quality data sources, often overlook the intrinsic uncertainty of tasks, learning all data samples equally. This may lead to suboptimal data efficiency and model performance. In response, we propose uncertainty-aware learning (UAL) to improve the model alignment of different task scenarios, by introducing the sample uncertainty (elicited from more capable LLMs). We implement UAL in a simple fashion -- adaptively setting the label smoothing value of training according to the uncertainty of individual samples. Analysis shows that our UAL indeed facilitates better token clustering in the feature space, validating our hypothesis. Extensive experiments on widely used benchmarks demonstrate that our UAL significantly and consistently outperforms standard supervised fine-tuning. Notably, LLMs aligned in a mixed scenario have achieved an average improvement of 10.62\% on high-entropy tasks (i.e., AlpacaEval leaderboard), and 1.81\% on complex low-entropy tasks (i.e., MetaMath and GSM8K).

Recent advances in language models (LMs) have led to significant improvements in quality on complex NLP tasks, but at the expense of increased inference costs. Cascading offers a simple strategy to achieve more favorable cost-quality tradeoffs: here, a small model is invoked for most "easy" instances, while a few "hard" instances are deferred to the large model. While the principles underpinning cascading are well-studied for classification tasks - with deferral based on predicted class uncertainty favored theoretically and practically - a similar understanding is lacking for generative LM tasks. In this work, we initiate a systematic study of deferral rules for LM cascades. We begin by examining the natural extension of predicted class uncertainty to generative LM tasks, namely, the predicted sequence uncertainty. We show that this measure suffers from the length bias problem, either over- or under-emphasizing outputs based on their lengths. This is because LMs produce a sequence of uncertainty values, one for each output token; and moreover, the number of output tokens is variable across examples. To mitigate this issue, we propose to exploit the richer token-level uncertainty information implicit in generative LMs. We argue that naive predicted sequence uncertainty corresponds to a simple aggregation of these uncertainties. By contrast, we show that incorporating token-level uncertainty through learned post-hoc deferral rules can significantly outperform such simple aggregation strategies, via experiments on a range of natural language benchmarks with FLAN-T5 models. We further show that incorporating embeddings from the smaller model and intermediate layers of the larger model can give an additional boost in the overall cost-quality tradeoff.

Diffusion models achieve great success in generating diverse and high-fidelity images. The performance improvements come with low generation speed per image, which hinders the application diffusion models in real-time scenarios. While some certain predictions benefit from the full computation of the model in each sample iteration, not every iteration requires the same amount of computation, potentially leading to computation waste. In this work, we propose DeeDiff, an early exiting framework that adaptively allocates computation resources in each sampling step to improve the generation efficiency of diffusion models. Specifically, we introduce a timestep-aware uncertainty estimation module (UEM) for diffusion models which is attached to each intermediate layer to estimate the prediction uncertainty of each layer. The uncertainty is regarded as the signal to decide if the inference terminates. Moreover, we propose uncertainty-aware layer-wise loss to fill the performance gap between full models and early-exited models. With such loss strategy, our model is able to obtain comparable results as full-layer models. Extensive experiments of class-conditional, unconditional, and text-guided generation on several datasets show that our method achieves state-of-the-art performance and efficiency trade-off compared with existing early exiting methods on diffusion models. More importantly, our method even brings extra benefits to baseline models and obtains better performance on CIFAR-10 and Celeb-A datasets. Full code and model are released for reproduction.

We introduce BSDetector, a method for detecting bad and speculative answers from a pretrained Large Language Model by estimating a numeric confidence score for any output it generated. Our uncertainty quantification technique works for any LLM accessible only via a black-box API, whose training data remains unknown. By expending a bit of extra computation, users of any LLM API can now get the same response as they would ordinarily, as well as a confidence estimate that cautions when not to trust this response. Experiments on both closed and open-form Question-Answer benchmarks reveal that BSDetector more accurately identifies incorrect LLM responses than alternative uncertainty estimation procedures (for both GPT-3 and ChatGPT). By sampling multiple responses from the LLM and considering the one with the highest confidence score, we can additionally obtain more accurate responses from the same LLM, without any extra training steps. In applications involving automated evaluation with LLMs, accounting for our confidence scores leads to more reliable evaluation in both human-in-the-loop and fully-automated settings (across both GPT 3.5 and 4).

Autoregressive (AR) models have emerged as powerful tools for image generation by modeling images as sequences of discrete tokens. While Classifier-Free Guidance (CFG) has been adopted to improve conditional generation, its application in AR models faces two key issues: guidance diminishing, where the conditional-unconditional gap quickly vanishes as decoding progresses, and over-guidance, where strong conditions distort visual coherence. To address these challenges, we propose SoftCFG, an uncertainty-guided inference method that distributes adaptive perturbations across all tokens in the sequence. The key idea behind SoftCFG is to let each generated token contribute certainty-weighted guidance, ensuring that the signal persists across steps while resolving conflicts between text guidance and visual context. To further stabilize long-sequence generation, we introduce Step Normalization, which bounds cumulative perturbations of SoftCFG. Our method is training-free, model-agnostic, and seamlessly integrates with existing AR pipelines. Experiments show that SoftCFG significantly improves image quality over standard CFG and achieves state-of-the-art FID on ImageNet 256*256 among autoregressive models.

Diffusion-based image super-resolution methods have demonstrated significant advantages over GAN-based approaches, particularly in terms of perceptual quality. Building upon a lengthy Markov chain, diffusion-based methods possess remarkable modeling capacity, enabling them to achieve outstanding performance in real-world scenarios. Unlike previous methods that focus on modifying the noise schedule or sampling process to enhance performance, our approach emphasizes the improved utilization of LR information. We find that different regions of the LR image can be viewed as corresponding to different timesteps in a diffusion process, where flat areas are closer to the target HR distribution but edge and texture regions are farther away. In these flat areas, applying a slight noise is more advantageous for the reconstruction. We associate this characteristic with uncertainty and propose to apply uncertainty estimate to guide region-specific noise level control, a technique we refer to as Uncertainty-guided Noise Weighting. Pixels with lower uncertainty (i.e., flat regions) receive reduced noise to preserve more LR information, therefore improving performance. Furthermore, we modify the network architecture of previous methods to develop our Uncertainty-guided Perturbation Super-Resolution (UPSR) model. Extensive experimental results demonstrate that, despite reduced model size and training overhead, the proposed UWSR method outperforms current state-of-the-art methods across various datasets, both quantitatively and qualitatively.

Multimodal semantic understanding often has to deal with uncertainty, which means the obtained messages tend to refer to multiple targets. Such uncertainty is problematic for our interpretation, including inter- and intra-modal uncertainty. Little effort has studied the modeling of this uncertainty, particularly in pre-training on unlabeled datasets and fine-tuning in task-specific downstream datasets. In this paper, we project the representations of all modalities as probabilistic distributions via a Probability Distribution Encoder (PDE) by utilizing sequence-level interactions. Compared to the existing deterministic methods, such uncertainty modeling can convey richer multimodal semantic information and more complex relationships. Furthermore, we integrate uncertainty modeling with popular pre-training frameworks and propose suitable pre-training tasks: Distribution-based Vision-Language Contrastive learning (D-VLC), Distribution-based Masked Language Modeling (D-MLM), and Distribution-based Image-Text Matching (D-ITM). The fine-tuned models are applied to challenging downstream tasks, including image-text retrieval, visual question answering, visual reasoning, and visual entailment, and achieve state-of-the-art results.

Multi-agent debates have been introduced to improve the accuracy of Large Language Models (LLMs) by having multiple agents discuss solutions to a problem over several rounds of debate. However, models often generate incorrect yet confident-sounding responses, which can mislead others. This issue arises partly because agents do not consider how confident their peers are. To address this, we propose DebUnc, a debate framework that uses uncertainty metrics to assess agent confidence. Confidence is then conveyed through a modified attention mechanism that adjusts token weights, or through textual prompts. Evaluations across benchmarks show that attention-based methods are particularly effective and that performance continues to improve as uncertainty estimation becomes more reliable. The code is available at https://github.com/lukeyoffe/debunc.

Large language models (LLMs) exhibit a wide range of promising capabilities -- from step-by-step planning to commonsense reasoning -- that may provide utility for robots, but remain prone to confidently hallucinated predictions. In this work, we present KnowNo, which is a framework for measuring and aligning the uncertainty of LLM-based planners such that they know when they don't know and ask for help when needed. KnowNo builds on the theory of conformal prediction to provide statistical guarantees on task completion while minimizing human help in complex multi-step planning settings. Experiments across a variety of simulated and real robot setups that involve tasks with different modes of ambiguity (e.g., from spatial to numeric uncertainties, from human preferences to Winograd schemas) show that KnowNo performs favorably over modern baselines (which may involve ensembles or extensive prompt tuning) in terms of improving efficiency and autonomy, while providing formal assurances. KnowNo can be used with LLMs out of the box without model-finetuning, and suggests a promising lightweight approach to modeling uncertainty that can complement and scale with the growing capabilities of foundation models. Website: https://robot-help.github.io

Developing large language models is expensive and involves making decisions with small experiments, typically by evaluating on large, multi-task evaluation suites. In this work, we analyze specific properties which make a benchmark more reliable for such decisions, and interventions to design higher-quality evaluation benchmarks. We introduce two key metrics that show differences in current benchmarks: signal, a benchmark's ability to separate better models from worse models, and noise, a benchmark's sensitivity to random variability between training steps. We demonstrate that benchmarks with a better signal-to-noise ratio are more reliable when making decisions at small scale, and those with less noise have lower scaling law prediction error. These results suggest that improving signal or noise will lead to more useful benchmarks, so we introduce three interventions designed to directly affect signal or noise. For example, we propose that switching to a metric that has better signal and noise (e.g., perplexity rather than accuracy) leads to better reliability and improved scaling law error. We also find that filtering noisy subtasks, to improve an aggregate signal-to-noise ratio, leads to more reliable multi-task evaluations. We also find that averaging the output of a model's intermediate checkpoints to reduce noise leads to consistent improvements. We conclude by recommending that those creating new benchmarks, or selecting which existing benchmarks to use, aim for high signal and low noise. We use 30 benchmarks for these experiments, and 375 open-weight language models from 60M to 32B parameters, resulting in a new, publicly available dataset of 900K evaluation benchmark results, totaling 200M instances.

Background and Objective: Radiation pneumonitis (RP) is a side effect of thoracic radiation therapy. Recently, Machine learning (ML) models enhanced with radiomic and dosiomic features provide better predictions by incorporating spatial information beyond DVHs. However, to improve the clinical decision process, we propose to use uncertainty quantification (UQ) to improve the confidence in model prediction. This study evaluates the impact of post hoc UQ methods on the discriminative performance and calibration of ML models for RP prediction. Methods: This study evaluated four ML models: logistic regression (LR), support vector machines (SVM), extreme gradient boosting (XGB), and random forest (RF), using radiomic, dosiomic, and dosimetric features to predict RP. We applied UQ methods, including Patt scaling, isotonic regression, Venn-ABERS predictor, and Conformal Prediction, to quantify uncertainty. Model performance was assessed through Area Under the Receiver Operating Characteristic curve (AUROC), Area Under the Precision-Recall Curve (AUPRC), and Adaptive Calibration Error (ACE) using Leave-One-Out Cross-Validation (LOO-CV). Results: UQ methods enhanced predictive performance, particularly for high-certainty predictions, while also improving calibration. Radiomic and dosiomic features increased model accuracy but introduced calibration challenges, especially for non-linear models like XGB and RF. Performance gains from UQ methods were most noticeable at higher certainty thresholds. Conclusion: Integrating UQ into ML models with radiomic and dosiomic features improves both predictive accuracy and calibration, supporting more reliable clinical decision-making. The findings emphasize the value of UQ methods in enhancing applicability of predictive models for RP in healthcare settings.

Estimating uncertainty or confidence in the responses of a model can be significant in evaluating trust not only in the responses, but also in the model as a whole. In this paper, we explore the problem of estimating confidence for responses of large language models (LLMs) with simply black-box or query access to them. We propose a simple and extensible framework where, we engineer novel features and train a (interpretable) model (viz. logistic regression) on these features to estimate the confidence. We empirically demonstrate that our simple framework is effective in estimating confidence of flan-ul2, llama-13b and mistral-7b with it consistently outperforming existing black-box confidence estimation approaches on benchmark datasets such as TriviaQA, SQuAD, CoQA and Natural Questions by even over 10% (on AUROC) in some cases. Additionally, our interpretable approach provides insight into features that are predictive of confidence, leading to the interesting and useful discovery that our confidence models built for one LLM generalize zero-shot across others on a given dataset.

Deep learning methods for unsupervised registration often rely on objectives that assume a uniform noise level across the spatial domain (e.g. mean-squared error loss), but noise distributions are often heteroscedastic and input-dependent in real-world medical images. Thus, this assumption often leads to degradation in registration performance, mainly due to the undesired influence of noise-induced outliers. To mitigate this, we propose a framework for heteroscedastic image uncertainty estimation that can adaptively reduce the influence of regions with high uncertainty during unsupervised registration. The framework consists of a collaborative training strategy for the displacement and variance estimators, and a novel image fidelity weighting scheme utilizing signal-to-noise ratios. Our approach prevents the model from being driven away by spurious gradients caused by the simplified homoscedastic assumption, leading to more accurate displacement estimation. To illustrate its versatility and effectiveness, we tested our framework on two representative registration architectures across three medical image datasets. Our method consistently outperforms baselines and produces sensible uncertainty estimates. The code is publicly available at https://voldemort108x.github.io/hetero_uncertainty/.

Hand trajectory forecasting from egocentric views is crucial for enabling a prompt understanding of human intentions when interacting with AR/VR systems. However, existing methods handle this problem in a 2D image space which is inadequate for 3D real-world applications. In this paper, we set up an egocentric 3D hand trajectory forecasting task that aims to predict hand trajectories in a 3D space from early observed RGB videos in a first-person view. To fulfill this goal, we propose an uncertainty-aware state space Transformer (USST) that takes the merits of the attention mechanism and aleatoric uncertainty within the framework of the classical state-space model. The model can be further enhanced by the velocity constraint and visual prompt tuning (VPT) on large vision transformers. Moreover, we develop an annotation workflow to collect 3D hand trajectories with high quality. Experimental results on H2O and EgoPAT3D datasets demonstrate the superiority of USST for both 2D and 3D trajectory forecasting. The code and datasets are publicly released: https://actionlab-cv.github.io/EgoHandTrajPred.

The work focuses on gathering high-fidelity and low-fidelity numerical simulations data using Nektar++ (Solver based on Applied Mathematics) and XFOIL respectively. The utilization of the higher polynomial distribution in calculating the Coefficient of lift and drag has demonstrated superior accuracy and precision. Further, Co-kriging Data fusion and Adaptive sampling technique has been used to obtain the precise data predictions for the lift and drag within the confined domain without conducting the costly simulations on HPC clusters. This creates a methodology to quantifying uncertainty in computational fluid dynamics by minimizing the required number of samples. To minimize the reliability on high-fidelity numerical simulations in Uncertainty Quantification, a multi-fidelity strategy has been adopted. The effectiveness of the multi-fidelity deep neural network model has been validated through the approximation of benchmark functions across 1-, 32-, and 100-dimensional, encompassing both linear and nonlinear correlations. The surrogate modelling results showed that multi-fidelity deep neural network model has shown excellent approximation capabilities for the test functions and multi-fidelity deep neural network method has outperformed Co-kriging in effectiveness. In addition to that, multi-fidelity deep neural network model is utilized for the simulation of aleatory uncertainty propagation in 1-, 32-, and 100 dimensional function test, considering both uniform and Gaussian distributions for input uncertainties. The results have shown that multi-fidelity deep neural network model has efficiently predicted the probability density distributions of quantities of interest as well as the statistical moments with precision and accuracy. The Co-Kriging model has exhibited limitations when addressing 32-Dimension problems due to the limitation of memory capacity for storage and manipulation.

Building on the success of deep learning models in cardiovascular structure segmentation, increasing attention has been focused on improving generalization and robustness, particularly in small, annotated datasets. Despite recent advancements, current approaches often face challenges such as overfitting and accuracy limitations, largely due to their reliance on large datasets and narrow optimization techniques. This paper introduces the UU-Mamba model, an extension of the U-Mamba architecture, designed to address these challenges in both cardiac and vascular segmentation. By incorporating Sharpness-Aware Minimization (SAM), the model enhances generalization by targeting flatter minima in the loss landscape. Additionally, we propose an uncertainty-aware loss function that combines region-based, distribution-based, and pixel-based components to improve segmentation accuracy by capturing both local and global features. While the UU-Mamba model has already demonstrated great performance, further testing is required to fully assess its generalization and robustness. We expand our evaluation by conducting new trials on the ImageCAS (coronary artery) and Aorta (aortic branches and zones) datasets, which present more complex segmentation challenges than the ACDC dataset (left and right ventricles) used in our previous work, showcasing the model's adaptability and resilience. We confirm UU-Mamba's superior performance over leading models such as TransUNet, Swin-Unet, nnUNet, and nnFormer. Moreover, we provide a more comprehensive evaluation of the model's robustness and segmentation accuracy, as demonstrated by extensive experiments.

Biomedical image segmentation is critical for accurate identification and analysis of anatomical structures in medical imaging, particularly in cardiac MRI. Manual segmentation is labor-intensive, time-consuming, and prone to errors, highlighting the need for automated methods. However, current machine learning approaches face challenges like overfitting and data demands. To tackle these issues, we propose a new UU-Mamba model, integrating the U-Mamba model with the Sharpness-Aware Minimization (SAM) optimizer and an uncertainty-aware loss function. SAM enhances generalization by locating flat minima in the loss landscape, thus reducing overfitting. The uncertainty-aware loss combines region-based, distribution-based, and pixel-based loss designs to improve segmentation accuracy and robustness. Evaluation of our method is performed on the ACDC cardiac dataset, outperforming state-of-the-art models including TransUNet, Swin-Unet, nnUNet, and nnFormer. Our approach achieves Dice Similarity Coefficient (DSC) and Mean Squared Error (MSE) scores, demonstrating its effectiveness in cardiac MRI segmentation.

Non-blind deblurring methods achieve decent performance under the accurate blur kernel assumption. Since the kernel uncertainty (i.e. kernel error) is inevitable in practice, semi-blind deblurring is suggested to handle it by introducing the prior of the kernel (or induced) error. However, how to design a suitable prior for the kernel (or induced) error remains challenging. Hand-crafted prior, incorporating domain knowledge, generally performs well but may lead to poor performance when kernel (or induced) error is complex. Data-driven prior, which excessively depends on the diversity and abundance of training data, is vulnerable to out-of-distribution blurs and images. To address this challenge, we suggest a dataset-free deep residual prior for the kernel induced error (termed as residual) expressed by a customized untrained deep neural network, which allows us to flexibly adapt to different blurs and images in real scenarios. By organically integrating the respective strengths of deep priors and hand-crafted priors, we propose an unsupervised semi-blind deblurring model which recovers the latent image from the blurry image and inaccurate blur kernel. To tackle the formulated model, an efficient alternating minimization algorithm is developed. Extensive experiments demonstrate the favorable performance of the proposed method as compared to data-driven and model-driven methods in terms of image quality and the robustness to the kernel error.

We show that a GPT-3 model can learn to express uncertainty about its own answers in natural language -- without use of model logits. When given a question, the model generates both an answer and a level of confidence (e.g. "90% confidence" or "high confidence"). These levels map to probabilities that are well calibrated. The model also remains moderately calibrated under distribution shift, and is sensitive to uncertainty in its own answers, rather than imitating human examples. To our knowledge, this is the first time a model has been shown to express calibrated uncertainty about its own answers in natural language. For testing calibration, we introduce the CalibratedMath suite of tasks. We compare the calibration of uncertainty expressed in words ("verbalized probability") to uncertainty extracted from model logits. Both kinds of uncertainty are capable of generalizing calibration under distribution shift. We also provide evidence that GPT-3's ability to generalize calibration depends on pre-trained latent representations that correlate with epistemic uncertainty over its answers.

Question Answering on Electronic Health Records (EHR-QA) has a significant impact on the healthcare domain, and it is being actively studied. Previous research on structured EHR-QA focuses on converting natural language queries into query language such as SQL or SPARQL (NLQ2Query), so the problem scope is limited to pre-defined data types by the specific query language. In order to expand the EHR-QA task beyond this limitation to handle multi-modal medical data and solve complex inference in the future, more primitive systemic language is needed. In this paper, we design the program-based model (NLQ2Program) for EHR-QA as the first step towards the future direction. We tackle MIMICSPARQL*, the graph-based EHR-QA dataset, via a program-based approach in a semi-supervised manner in order to overcome the absence of gold programs. Without the gold program, our proposed model shows comparable performance to the previous state-of-the-art model, which is an NLQ2Query model (0.9% gain). In addition, for a reliable EHR-QA model, we apply the uncertainty decomposition method to measure the ambiguity in the input question. We empirically confirmed data uncertainty is most indicative of the ambiguity in the input question.

Model merging aggregates Large Language Models (LLMs) finetuned on different tasks into a stronger one. However, parameter conflicts between models leads to performance degradation in averaging. While model routing addresses this issue by selecting individual models during inference, it imposes excessive storage and compute costs, and fails to leverage the common knowledge from different models. In this work, we observe that different layers exhibit varying levels of parameter conflicts. Building on this insight, we average layers with minimal parameter conflicts and use a novel task-level expert routing for layers with significant conflicts. To further reduce storage costs, inspired by task arithmetic sparsity, we decouple multiple fine-tuned experts into a dense expert and several sparse experts. Considering the out-of-distribution samples, we select and merge appropriate experts based on the task uncertainty of the input data. We conduct extensive experiments on both LLaMA and Qwen with varying parameter scales, and evaluate on real-world reasoning tasks. Results demonstrate that our method consistently achieves significant performance improvements while requiring less system cost compared to existing methods.

We introduce a method to measure uncertainty in large language models. For tasks like question answering, it is essential to know when we can trust the natural language outputs of foundation models. We show that measuring uncertainty in natural language is challenging because of "semantic equivalence" -- different sentences can mean the same thing. To overcome these challenges we introduce semantic entropy -- an entropy which incorporates linguistic invariances created by shared meanings. Our method is unsupervised, uses only a single model, and requires no modifications to off-the-shelf language models. In comprehensive ablation studies we show that the semantic entropy is more predictive of model accuracy on question answering data sets than comparable baselines.

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes naturally have this property, deep neural networks often lack it. In this paper, we introduce Distance Aware Bottleneck (DAB), i.e., a new method for enriching deep neural networks with this property. Building on prior information bottleneck approaches, our method learns a codebook that stores a compressed representation of all inputs seen during training. The distance of a new example from this codebook can serve as an uncertainty estimate for the example. The resulting model is simple to train and provides deterministic uncertainty estimates by a single forward pass. Finally, our method achieves better out-of-distribution (OOD) detection and misclassification prediction than prior methods, including expensive ensemble methods, deep kernel Gaussian Processes, and approaches based on the standard information bottleneck.

A single unexpected object on the road can cause an accident or may lead to injuries. To prevent this, we need a reliable mechanism for finding anomalous objects on the road. This task, called anomaly segmentation, can be a stepping stone to safe and reliable autonomous driving. Current approaches tackle anomaly segmentation by assigning an anomaly score to each pixel and by grouping anomalous regions using simple heuristics. However, pixel grouping is a limiting factor when it comes to evaluating the segmentation performance of individual anomalous objects. To address the issue of grouping multiple anomaly instances into one, we propose an approach that produces accurate anomaly instance masks. Our approach centers on an out-of-distribution segmentation model for identifying uncertain regions and a strong generalist segmentation model for anomaly instances segmentation. We investigate ways to use uncertain regions to guide such a segmentation model to perform segmentation of anomalous instances. By incorporating strong object priors from a generalist model we additionally improve the per-pixel anomaly segmentation performance. Our approach outperforms current pixel-level anomaly segmentation methods, achieving an AP of 80.08% and 88.98% on the Fishyscapes Lost and Found and the RoadAnomaly validation sets respectively. Project page: https://vision.rwth-aachen.de/ugains

Despite their widespread applications, Large Language Models (LLMs) often struggle to express uncertainty, posing a challenge for reliable deployment in high stakes and safety critical domains like clinical diagnostics. Existing standard baseline methods such as model logits and elicited probabilities produce overconfident and poorly calibrated estimates. In this work, we propose Approximate Bayesian Computation (ABC), a likelihood-free Bayesian inference, based approach that treats LLMs as a stochastic simulator to infer posterior distributions over predictive probabilities. We evaluate our ABC approach on two clinically relevant benchmarks: a synthetic oral lesion diagnosis dataset and the publicly available GretelAI symptom-to-diagnosis dataset. Compared to standard baselines, our approach improves accuracy by up to 46.9\%, reduces Brier scores by 74.4\%, and enhances calibration as measured by Expected Calibration Error (ECE) and predictive entropy.

The output of Large Language Models (LLMs) are a function of the internal model's parameters and the input provided into the context window. The hypothesis presented here is that under a greedy sampling strategy the variance in the LLM's output is a function of the conceptual certainty embedded in the model's parametric knowledge, as well as the lexical variance in the input. Finetuning the model results in reducing the sensitivity of the model output to the lexical input variations. This is then applied to a classification problem and a probabilistic method is proposed for estimating the certainties of the predicted classes.

Large language models (LLMs) have demonstrated remarkable capabilities across various tasks but still face challenges such as hallucinations. One potential reason for hallucinations is the lack of relevant knowledge or context. Thus, a promising solution to mitigate this issue involves instructing LLMs to respond with "I do not know" when a question falls outside their knowledge domain or the provided context. However, in this work, we observed that LLMs struggle to admit their lack of knowledge, primarily due to existing instruction datasets designed to encourage specific answers. To improve large language models' capability to recognize the boundaries of their knowledge, we propose a novel approach called uncertainty-sensitive tuning. This method involves two-stage training designed for uncertainty recognition and prompt-sensitive activation. In the first stage, we guide the LLM to reject unknown questions. In the second stage, we recover the decreased performance in QA tasks by incorporating designed causal instructions. By leveraging this method, we aim to enhance the model's ability to identify areas of uncertainty. The experimental results demonstrate that our proposed uncertainty-sensitive tuning method significantly improves the performance of the Llama2-chat-7B model. Specifically, it achieves a substantial 34.7% improvement in handling questions involving knowledge gaps compared to the original model. Moreover, our approach outperforms GPT-4, exhibiting a 9.4% increase in overall performance. We open-source the model and code on GitHub.

Accurate retinal vessel (RV) segmentation is a crucial step in the quantitative assessment of retinal vasculature, which is needed for the early detection of retinal diseases and other conditions. Numerous studies have been conducted to tackle the problem of segmenting vessels automatically using a pixel-wise classification approach. The common practice of creating ground truth labels is to categorize pixels as foreground and background. This approach is, however, biased, and it ignores the uncertainty of a human annotator when it comes to annotating e.g. thin vessels. In this work, we propose a simple and effective method that casts the RV segmentation task as an image-level regression. For this purpose, we first introduce a novel Segmentation Annotation Uncertainty-Aware (SAUNA) transform, which adds pixel uncertainty to the ground truth using the pixel's closeness to the annotation boundary and vessel thickness. To train our model with soft labels, we generalize the earlier proposed Jaccard metric loss to arbitrary hypercubes for soft Jaccard index (Intersection-over-Union) optimization. Additionally, we employ a stable version of the Focal-L1 loss for pixel-wise regression. We conduct thorough experiments and compare our method to a diverse set of baselines across 5 retinal image datasets. Our empirical results indicate that the integration of the SAUNA transform and these segmentation losses led to significant performance boosts for different segmentation models. Particularly, our methodology enables UNet-like architectures to substantially outperform computational-intensive baselines. Our implementation is available at https://github.com/Oulu-IMEDS/SAUNA.

Applying a machine learning model for decision-making in the real world requires to distinguish what the model knows from what it does not. A critical factor in assessing the knowledge of a model is to quantify its predictive uncertainty. Predictive uncertainty is commonly measured by the entropy of the Bayesian model average (BMA) predictive distribution. Yet, the properness of this current measure of predictive uncertainty was recently questioned. We provide new insights regarding those limitations. Our analyses show that the current measure erroneously assumes that the BMA predictive distribution is equivalent to the predictive distribution of the true model that generated the dataset. Consequently, we introduce a theoretically grounded measure to overcome these limitations. We experimentally verify the benefits of our introduced measure of predictive uncertainty. We find that our introduced measure behaves more reasonably in controlled synthetic tasks. Moreover, our evaluations on ImageNet demonstrate that our introduced measure is advantageous in real-world applications utilizing predictive uncertainty.

Empowering large language models to accurately express confidence in their answers is essential for trustworthy decision-making. Previous confidence elicitation methods, which primarily rely on white-box access to internal model information or model fine-tuning, have become less suitable for LLMs, especially closed-source commercial APIs. This leads to a growing need to explore the untapped area of black-box approaches for LLM uncertainty estimation. To better break down the problem, we define a systematic framework with three components: prompting strategies for eliciting verbalized confidence, sampling methods for generating multiple responses, and aggregation techniques for computing consistency. We then benchmark these methods on two key tasks-confidence calibration and failure prediction-across five types of datasets (e.g., commonsense and arithmetic reasoning) and five widely-used LLMs including GPT-4 and LLaMA 2 Chat. Our analysis uncovers several key insights: 1) LLMs, when verbalizing their confidence, tend to be overconfident, potentially imitating human patterns of expressing confidence. 2) As model capability scales up, both calibration and failure prediction performance improve. 3) Employing our proposed strategies, such as human-inspired prompts, consistency among multiple responses, and better aggregation strategies can help mitigate this overconfidence from various perspectives. 4) Comparisons with white-box methods indicate that while white-box methods perform better, the gap is narrow, e.g., 0.522 to 0.605 in AUROC. Despite these advancements, none of these techniques consistently outperform others, and all investigated methods struggle in challenging tasks, such as those requiring professional knowledge, indicating significant scope for improvement. We believe this study can serve as a strong baseline and provide insights for eliciting confidence in black-box LLMs.

Active learning is the iterative construction of a classification model through targeted labeling, enabling significant labeling cost savings. As most research on active learning has been carried out before transformer-based language models ("transformers") became popular, despite its practical importance, comparably few papers have investigated how transformers can be combined with active learning to date. This can be attributed to the fact that using state-of-the-art query strategies for transformers induces a prohibitive runtime overhead, which effectively nullifies, or even outweighs the desired cost savings. For this reason, we revisit uncertainty-based query strategies, which had been largely outperformed before, but are particularly suited in the context of fine-tuning transformers. In an extensive evaluation, we connect transformers to experiments from previous research, assessing their performance on five widely used text classification benchmarks. For active learning with transformers, several other uncertainty-based approaches outperform the well-known prediction entropy query strategy, thereby challenging its status as most popular uncertainty baseline in active learning for text classification.

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for each of these three subtasks and discusses the main advantages and disadvantages of each technique with references to theoretical and empirical studies. Further, recommendations are given to encourage best yet feasible practices in research and applications of machine learning. Common methods such as the holdout method for model evaluation and selection are covered, which are not recommended when working with small datasets. Different flavors of the bootstrap technique are introduced for estimating the uncertainty of performance estimates, as an alternative to confidence intervals via normal approximation if bootstrapping is computationally feasible. Common cross-validation techniques such as leave-one-out cross-validation and k-fold cross-validation are reviewed, the bias-variance trade-off for choosing k is discussed, and practical tips for the optimal choice of k are given based on empirical evidence. Different statistical tests for algorithm comparisons are presented, and strategies for dealing with multiple comparisons such as omnibus tests and multiple-comparison corrections are discussed. Finally, alternative methods for algorithm selection, such as the combined F-test 5x2 cross-validation and nested cross-validation, are recommended for comparing machine learning algorithms when datasets are small.

Numerous deep learning applications benefit from multi-task learning with multiple regression and classification objectives. In this paper we make the observation that the performance of such systems is strongly dependent on the relative weighting between each task's loss. Tuning these weights by hand is a difficult and expensive process, making multi-task learning prohibitive in practice. We propose a principled approach to multi-task deep learning which weighs multiple loss functions by considering the homoscedastic uncertainty of each task. This allows us to simultaneously learn various quantities with different units or scales in both classification and regression settings. We demonstrate our model learning per-pixel depth regression, semantic and instance segmentation from a monocular input image. Perhaps surprisingly, we show our model can learn multi-task weightings and outperform separate models trained individually on each task.

Reinforcement learning with verifiable rewards (RLVR) improves reasoning in large language models (LLMs) but struggles with exploration, an issue that still persists for multimodal LLMs (MLLMs). Current methods treat the visual input as a fixed, deterministic condition, overlooking a critical source of ambiguity and struggling to build policies robust to plausible visual variations. We introduce VOGUE (Visual Uncertainty Guided Exploration), a novel method that shifts exploration from the output (text) to the input (visual) space. By treating the image as a stochastic context, VOGUE quantifies the policy's sensitivity to visual perturbations using the symmetric KL divergence between a "raw" and "noisy" branch, creating a direct signal for uncertainty-aware exploration. This signal shapes the learning objective via an uncertainty-proportional bonus, which, combined with a token-entropy bonus and an annealed sampling schedule, effectively balances exploration and exploitation. Implemented within GRPO on two model scales (Qwen2.5-VL-3B/7B), VOGUE boosts pass@1 accuracy by an average of 2.6% on three visual math benchmarks and 3.7% on three general-domain reasoning benchmarks, while simultaneously increasing pass@4 performance and mitigating the exploration decay commonly observed in RL fine-tuning. Our work shows that grounding exploration in the inherent uncertainty of visual inputs is an effective strategy for improving multimodal reasoning.

Theory of Mind (ToM), the ability to understand people's mental variables based on their behavior, is key to developing socially intelligent agents. Current approaches to Theory of Mind reasoning either rely on prompting Large Language Models (LLMs), which are prone to systematic errors, or use rigid, handcrafted Bayesian Theory of Mind (BToM) models, which are more robust but cannot generalize across different domains. In this work, we introduce AutoToM, an automated Bayesian Theory of Mind method for achieving open-ended machine Theory of Mind. AutoToM can operate in any domain, infer any mental variable, and conduct robust Theory of Mind reasoning of any order. Given a Theory of Mind inference problem, AutoToM first proposes an initial BToM model. It then conducts automated Bayesian inverse planning based on the proposed model, leveraging an LLM as the backend. Based on the uncertainty of the inference, it iteratively refines the model, by introducing additional mental variables and/or incorporating more timesteps in the context. Empirical evaluations across multiple Theory of Mind benchmarks demonstrate that AutoToM consistently achieves state-of-the-art performance, offering a scalable, robust, and interpretable approach to machine Theory of Mind.

Finetuned LLMs often exhibit poor uncertainty quantification, manifesting as overconfidence, poor calibration, and unreliable prediction results on test data or out-of-distribution samples. One approach commonly used in vision for alleviating this issue is a deep ensemble, which constructs an ensemble by training the same model multiple times using different random initializations. However, there is a huge challenge to ensembling LLMs: the most effective LLMs are very, very large. Keeping a single LLM in memory is already challenging enough: keeping an ensemble of e.g. 5 LLMs in memory is impossible in many settings. To address these issues, we propose an ensemble approach using Low-Rank Adapters (LoRA), a parameter-efficient fine-tuning technique. Critically, these low-rank adapters represent a very small number of parameters, orders of magnitude less than the underlying pre-trained model. Thus, it is possible to construct large ensembles of LoRA adapters with almost the same computational overhead as using the original model. We find that LoRA ensembles, applied on its own or on top of pre-existing regularization techniques, gives consistent improvements in predictive accuracy and uncertainty quantification.

Dyna-style model-based reinforcement learning contains two phases: model rollouts to generate sample for policy learning and real environment exploration using current policy for dynamics model learning. However, due to the complex real-world environment, it is inevitable to learn an imperfect dynamics model with model prediction error, which can further mislead policy learning and result in sub-optimal solutions. In this paper, we propose COPlanner, a planning-driven framework for model-based methods to address the inaccurately learned dynamics model problem with conservative model rollouts and optimistic environment exploration. COPlanner leverages an uncertainty-aware policy-guided model predictive control (UP-MPC) component to plan for multi-step uncertainty estimation. This estimated uncertainty then serves as a penalty during model rollouts and as a bonus during real environment exploration respectively, to choose actions. Consequently, COPlanner can avoid model uncertain regions through conservative model rollouts, thereby alleviating the influence of model error. Simultaneously, it explores high-reward model uncertain regions to reduce model error actively through optimistic real environment exploration. COPlanner is a plug-and-play framework that can be applied to any dyna-style model-based methods. Experimental results on a series of proprioceptive and visual continuous control tasks demonstrate that both sample efficiency and asymptotic performance of strong model-based methods are significantly improved combined with COPlanner.

Uncertainty learning and quantification of models are crucial tasks to enhance the trustworthiness of the models. Importantly, the recent surge of generative language models (GLMs) emphasizes the need for reliable uncertainty quantification due to the concerns on generating hallucinated facts. In this paper, we propose to learn neural prediction set models that comes with the probably approximately correct (PAC) guarantee for quantifying the uncertainty of GLMs. Unlike existing prediction set models, which are parameterized by a scalar value, we propose to parameterize prediction sets via neural networks, which achieves more precise uncertainty quantification but still satisfies the PAC guarantee. We demonstrate the efficacy of our method on four types of language datasets and six types of models by showing that our method improves the quantified uncertainty by 63% on average, compared to a standard baseline method.

In question-answering tasks, determining when to trust the outputs is crucial to the alignment of large language models (LLMs). Kuhn et al. (2023) introduces semantic entropy as a measure of uncertainty, by incorporating linguistic invariances from the same meaning. It primarily relies on setting threshold to measure the level of semantic equivalence relation. We propose a more nuanced framework that extends beyond such thresholding by developing a Shapley-based uncertainty metric that captures the continuous nature of semantic relationships. We establish three fundamental properties that characterize valid uncertainty metrics and prove that our Shapley uncertainty satisfies these criteria. Through extensive experiments, we demonstrate that our Shapley uncertainty more accurately predicts LLM performance in question-answering and other datasets, compared to similar baseline measures.

Large language models (LLMs) are increasingly utilized for machine translation, yet their predictions often exhibit uncertainties that hinder interpretability and user trust. Effectively visualizing these uncertainties can enhance the usability of LLM outputs, particularly in contexts where translation accuracy is critical. This paper addresses two primary objectives: (1) providing users with token-level insights into model confidence and (2) developing a web-based visualization tool to quantify and represent translation uncertainties. To achieve these goals, we utilized the T5 model with the WMT19 dataset for translation tasks and evaluated translation quality using established metrics such as BLEU, METEOR, and ROUGE. We introduced three novel uncertainty quantification (UQ) metrics: (1) the geometric mean of token probabilities, (2) the arithmetic mean of token probabilities, and (3) the arithmetic mean of the kurtosis of token distributions. These metrics provide a simple yet effective framework for evaluating translation performance. Our analysis revealed a linear relationship between the traditional evaluation metrics and our UQ metrics, demonstrating the validity of our approach. Additionally, we developed an interactive web-based visualization that uses a color gradient to represent token confidence. This tool offers users a clear and intuitive understanding of translation quality while providing valuable insights into model performance. Overall, we show that our UQ metrics and visualization are both robust and interpretable, offering practical tools for evaluating and accessing machine translation systems.

Large language models (LLMs) have revolutionized the field of natural language processing with their impressive reasoning and question-answering capabilities. However, these models are sometimes prone to generating credible-sounding but incorrect information, a phenomenon known as LLM hallucinations. Reliable uncertainty estimation in LLMs is essential for fostering trust in their generated responses and serves as a critical tool for the detection and prevention of erroneous or hallucinated outputs. To achieve reliable and well-calibrated uncertainty quantification in open-ended and free-form natural language generation, we propose an uncertainty-aware fine-tuning approach for LLMs. This approach enhances the model's ability to provide reliable uncertainty estimates without compromising accuracy, thereby guiding them to produce more trustworthy responses. We introduce a novel uncertainty-aware causal language modeling loss function, grounded in the principles of decision theory. Through rigorous evaluation on multiple free-form question-answering datasets and models, we demonstrate that our uncertainty-aware fine-tuning approach yields better calibrated uncertainty estimates in natural language generation tasks than fine-tuning with the standard causal language modeling loss. Furthermore, the experimental results show that the proposed method significantly improves the model's ability to detect hallucinations and identify out-of-domain prompts.

Recent advances in aligning Large Language Models with human preferences have benefited from larger reward models and better preference data. However, most of these methodologies rely on the accuracy of the reward model. The reward models used in Reinforcement Learning with Human Feedback (RLHF) are typically learned from small datasets using stochastic optimization algorithms, making them prone to high variability. We illustrate the inconsistencies between reward models empirically on numerous open-source datasets. We theoretically show that the fluctuation of the reward models can be detrimental to the alignment problem because the derived policies are more overfitted to the reward model and, hence, are riskier if the reward model itself is uncertain. We use concentration of measure to motivate an uncertainty-aware, conservative algorithm for policy optimization. We show that such policies are more risk-averse in the sense that they are more cautious of uncertain rewards. We theoretically prove that our proposed methodology has less risk than the vanilla method. We corroborate our theoretical results with experiments based on designing an ensemble of reward models. We use this ensemble of reward models to align a language model using our methodology and observe that our empirical findings match our theoretical predictions.

Uncertainty quantification (UQ) is a perspective approach to detecting Large Language Model (LLM) hallucinations and low quality output. In this work, we address one of the challenges of UQ in generation tasks that arises from the conditional dependency between the generation steps of an LLM. We propose to learn this dependency from data. We train a regression model, which target variable is the gap between the conditional and the unconditional generation confidence. During LLM inference, we use this learned conditional dependency model to modulate the uncertainty of the current generation step based on the uncertainty of the previous step. Our experimental evaluation on nine datasets and three LLMs shows that the proposed method is highly effective for uncertainty quantification, achieving substantial improvements over rivaling approaches.

Anomaly detection is the task of identifying examples that do not behave as expected. Because anomalies are rare and unexpected events, collecting real anomalous examples is often challenging in several applications. In addition, learning an anomaly detector with limited (or no) anomalies often yields poor prediction performance. One option is to employ auxiliary synthetic anomalies to improve the model training. However, synthetic anomalies may be of poor quality: anomalies that are unrealistic or indistinguishable from normal samples may deteriorate the detector's performance. Unfortunately, no existing methods quantify the quality of auxiliary anomalies. We fill in this gap and propose the expected anomaly posterior (EAP), an uncertainty-based score function that measures the quality of auxiliary anomalies by quantifying the total uncertainty of an anomaly detector. Experimentally on 40 benchmark datasets of images and tabular data, we show that EAP outperforms 12 adapted data quality estimators in the majority of cases.

Transformers have become the gold standard for many natural language processing tasks and, in particular, for multi-hop question answering (MHQA). This task includes processing a long document and reasoning over the multiple parts of it. The landscape of MHQA approaches can be classified into two primary categories. The first group focuses on extracting supporting evidence, thereby constraining the QA model's context to predicted facts. Conversely, the second group relies on the attention mechanism of the long input encoding model to facilitate multi-hop reasoning. However, attention-based token representations lack explicit global contextual information to connect reasoning steps. To address these issues, we propose GEMFormer, a two-stage method that first collects relevant information over the entire document to the memory and then combines it with local context to solve the task. Our experimental results show that fine-tuning a pre-trained model with memory-augmented input, including the most certain global elements, improves the model's performance on three MHQA datasets compared to the baseline. We also found that the global explicit memory contains information from supporting facts required for the correct answer.

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather prediction, and urban planning. Neural Partial Differential Equations (Neural PDEs), which combine deep learning (DL) techniques with domain expertise (e.g., governing equations) for parameterization, have proven to be effective in capturing valuable correlations within spatiotemporal datasets. However, sparse and noisy measurements coupled with modeling approximation introduce aleatoric and epistemic uncertainties. Therefore, quantifying uncertainties propagated from model inputs to outputs remains a challenge and an essential goal for establishing the trustworthiness of Neural PDEs. This work evaluates various Uncertainty Quantification (UQ) approaches for both Forward and Inverse Problems in scientific applications. Specifically, we investigate the effectiveness of Bayesian methods, such as Hamiltonian Monte Carlo (HMC) and Monte-Carlo Dropout (MCD), and a more conventional approach, Deep Ensembles (DE). To illustrate their performance, we take two canonical PDEs: Burger's equation and the Navier-Stokes equation. Our results indicate that Neural PDEs can effectively reconstruct flow systems and predict the associated unknown parameters. However, it is noteworthy that the results derived from Bayesian methods, based on our observations, tend to display a higher degree of certainty in their predictions as compared to those obtained using the DE. This elevated certainty in predictions suggests that Bayesian techniques might underestimate the true underlying uncertainty, thereby appearing more confident in their predictions than the DE approach.

Semi-supervised learning relaxes the need of large pixel-wise labeled datasets for image segmentation by leveraging unlabeled data. A prominent way to exploit unlabeled data is to regularize model predictions. Since the predictions of unlabeled data can be unreliable, uncertainty-aware schemes are typically employed to gradually learn from meaningful and reliable predictions. Uncertainty estimation methods, however, rely on multiple inferences from the model predictions that must be computed for each training step, which is computationally expensive. Moreover, these uncertainty maps capture pixel-wise disparities and do not consider global information. This work proposes a novel method to estimate segmentation uncertainty by leveraging global information from the segmentation masks. More precisely, an anatomically-aware representation is first learnt to model the available segmentation masks. The learnt representation thereupon maps the prediction of a new segmentation into an anatomically-plausible segmentation. The deviation from the plausible segmentation aids in estimating the underlying pixel-level uncertainty in order to further guide the segmentation network. The proposed method consequently estimates the uncertainty using a single inference from our representation, thereby reducing the total computation. We evaluate our method on two publicly available segmentation datasets of left atria in cardiac MRIs and of multiple organs in abdominal CTs. Our anatomically-aware method improves the segmentation accuracy over the state-of-the-art semi-supervised methods in terms of two commonly used evaluation metrics.

Domain Adaptation (DA) is important for deep learning-based medical image segmentation models to deal with testing images from a new target domain. As the source-domain data are usually unavailable when a trained model is deployed at a new center, Source-Free Domain Adaptation (SFDA) is appealing for data and annotation-efficient adaptation to the target domain. However, existing SFDA methods have a limited performance due to lack of sufficient supervision with source-domain images unavailable and target-domain images unlabeled. We propose a novel Uncertainty-aware Pseudo Label guided (UPL) SFDA method for medical image segmentation. Specifically, we propose Target Domain Growing (TDG) to enhance the diversity of predictions in the target domain by duplicating the pre-trained model's prediction head multiple times with perturbations. The different predictions in these duplicated heads are used to obtain pseudo labels for unlabeled target-domain images and their uncertainty to identify reliable pseudo labels. We also propose a Twice Forward pass Supervision (TFS) strategy that uses reliable pseudo labels obtained in one forward pass to supervise predictions in the next forward pass. The adaptation is further regularized by a mean prediction-based entropy minimization term that encourages confident and consistent results in different prediction heads. UPL-SFDA was validated with a multi-site heart MRI segmentation dataset, a cross-modality fetal brain segmentation dataset, and a 3D fetal tissue segmentation dataset. It improved the average Dice by 5.54, 5.01 and 6.89 percentage points for the three tasks compared with the baseline, respectively, and outperformed several state-of-the-art SFDA methods.

In this paper, a novel self-supervised learning (SSL) method is proposed, which learns not only representations but also representations uncertainties by considering SSL in terms of variational inference. SSL is a method of learning representation without labels by maximizing the similarity between image representations of different augmented views of the same image. Variational autoencoder (VAE) is an unsupervised representation learning method that trains a probabilistic generative model with variational inference. VAE and SSL can learn representations without labels, but the relationship between VAE and SSL has not been revealed. In this paper, the theoretical relationship between SSL and variational inference is clarified. In addition, variational inference SimSiam (VI-SimSiam) is proposed, which can predict the representation uncertainty by interpreting SimSiam with variational inference and defining the latent space distribution. The experiment qualitatively showed that VISimSiam could learn uncertainty by comparing input images and predicted uncertainties. We also revealed a relationship between estimated uncertainty and classification accuracy.

We propose a method for jointly inferring labels across a collection of data samples, where each sample consists of an observation and a prior belief about the label. By implicitly assuming the existence of a generative model for which a differentiable predictor is the posterior, we derive a training objective that allows learning under weak beliefs. This formulation unifies various machine learning settings; the weak beliefs can come in the form of noisy or incomplete labels, likelihoods given by a different prediction mechanism on auxiliary input, or common-sense priors reflecting knowledge about the structure of the problem at hand. We demonstrate the proposed algorithms on diverse problems: classification with negative training examples, learning from rankings, weakly and self-supervised aerial imagery segmentation, co-segmentation of video frames, and coarsely supervised text classification.

We consider the dictionary-based ROM-net (Reduced Order Model) framework [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced modeling and Simulation in Engineering Sciences 7 (16), 2020] and summarize the underlying methodologies and their recent improvements. The main contribution of this work is the application of the complete workflow to a real-life industrial model of an elastoviscoplastic high-pressure turbine blade subjected to thermal, centrifugal and pressure loadings, for the quantification of the uncertainty on dual quantities (such as the accumulated plastic strain and the stress tensor), generated by the uncertainty on the temperature loading field. The dictionary-based ROM-net computes predictions of dual quantities of interest for 1008 Monte Carlo draws of the temperature loading field in 2 hours and 48 minutes, which corresponds to a speedup greater than 600 with respect to a reference parallel solver using domain decomposition, with a relative error in the order of 2%. Another contribution of this work consists in the derivation of a meta-model to reconstruct the dual quantities of interest over the complete mesh from their values on the reduced integration points.

Uncertainty estimation is crucial for evaluating Large Language Models (LLMs), particularly in high-stakes domains where incorrect answers result in significant consequences. Numerous approaches consider this problem, while focusing on a specific type of uncertainty, ignoring others. We investigate what estimates, specifically token-wise entropy and model-as-judge (MASJ), would work for multiple-choice question-answering tasks for different question topics. Our experiments consider three LLMs: Phi-4, Mistral, and Qwen of different sizes from 1.5B to 72B and 14 topics. While MASJ performs similarly to a random error predictor, the response entropy predicts model error in knowledge-dependent domains and serves as an effective indicator of question difficulty: for biology ROC AUC is 0.73. This correlation vanishes for the reasoning-dependent domain: for math questions ROC-AUC is 0.55. More principally, we found out that the entropy measure required a reasoning amount. Thus, data-uncertainty related entropy should be integrated within uncertainty estimates frameworks, while MASJ requires refinement. Moreover, existing MMLU-Pro samples are biased, and should balance required amount of reasoning for different subdomains to provide a more fair assessment of LLMs performance.

Auto-regressive decoding makes the inference of Large Language Models (LLMs) time-consuming. We propose a simple framework, EAGLE (Extrapolation Algorithm for Greater Language-model Efficiency), for lossless acceleration. Unlike traditional speculative sampling methods, EAGLE operates the drafting process auto-regressively at the more regular (second-top-layer) feature level and addresses the sampling uncertainty issues in the next-feature prediction problems by integrating tokens from one time step ahead. The acceleration provided by EAGLE is lossless: it involves no fine-tuning of the target LLM, and the generated text maintains the same distribution as that of vanilla auto-regressive decoding. As of the submission of this paper, EAGLE is the fastest known framework within the speculative sampling family. On MT-bench, EAGLE is 3x faster than vanilla decoding, 2x faster than Lookahead, and 1.6x faster than Medusa. Using gpt-fast, EAGLE attains on average 160 tokens/s with LLaMA2-Chat 13B on a single RTX 3090 GPU, compared to 24 tokens/s of Huggingface's implementations.

The emerging zero-shot capabilities of Large Language Models (LLMs) have led to their applications in areas extending well beyond natural language processing tasks. In reinforcement learning, while LLMs have been extensively used in text-based environments, their integration with continuous state spaces remains understudied. In this paper, we investigate how pre-trained LLMs can be leveraged to predict in context the dynamics of continuous Markov decision processes. We identify handling multivariate data and incorporating the control signal as key challenges that limit the potential of LLMs' deployment in this setup and propose Disentangled In-Context Learning (DICL) to address them. We present proof-of-concept applications in two reinforcement learning settings: model-based policy evaluation and data-augmented off-policy reinforcement learning, supported by theoretical analysis of the proposed methods. Our experiments further demonstrate that our approach produces well-calibrated uncertainty estimates. We release the code at https://github.com/abenechehab/dicl.

Large language models (LLMs) show remarkable promise for democratizing automated reasoning by generating formal specifications. However, a fundamental tension exists: LLMs are probabilistic, while formal verification demands deterministic guarantees. This paper addresses this epistemological gap by comprehensively investigating failure modes and uncertainty quantification (UQ) in LLM-generated formal artifacts. Our systematic evaluation of five frontier LLMs reveals Satisfiability Modulo Theories (SMT) based autoformalization's domain-specific impact on accuracy (from +34.8% on logical tasks to -44.5% on factual ones), with known UQ techniques like the entropy of token probabilities failing to identify these errors. We introduce a probabilistic context-free grammar (PCFG) framework to model LLM outputs, yielding a refined uncertainty taxonomy. We find uncertainty signals are task-dependent (e.g., grammar entropy for logic, AUROC>0.93). Finally, a lightweight fusion of these signals enables selective verification, drastically reducing errors (14-100%) with minimal abstention, transforming LLM-driven formalization into a reliable engineering discipline.

Climate-economic modeling under uncertainty presents significant computational challenges that may limit policymakers' ability to address climate change effectively. This paper explores neural network-based approaches for solving high-dimensional optimal control problems arising from models that incorporate ambiguity aversion in climate mitigation decisions. We develop a continuous-time endogenous-growth economic model that accounts for multiple mitigation pathways, including emission-free capital and carbon intensity reductions. Given the inherent complexity and high dimensionality of these models, traditional numerical methods become computationally intractable. We benchmark several neural network architectures against finite-difference generated solutions, evaluating their ability to capture the dynamic interactions between uncertainty, technology transitions, and optimal climate policy. Our findings demonstrate that appropriate neural architecture selection significantly impacts both solution accuracy and computational efficiency when modeling climate-economic systems under uncertainty. These methodological advances enable more sophisticated modeling of climate policy decisions, allowing for better representation of technology transitions and uncertainty-critical elements for developing effective mitigation strategies in the face of climate change.

LLM-as-a-judge has become a promising paradigm for using large language models (LLMs) to evaluate natural language generation (NLG), but the uncertainty of its evaluation remains underexplored. This lack of reliability may limit its deployment in many applications. This work presents the first framework to analyze the uncertainty by offering a prediction interval of LLM-based scoring via conformal prediction. Conformal prediction constructs continuous prediction intervals from a single evaluation run, and we design an ordinal boundary adjustment for discrete rating tasks. We also suggest a midpoint-based score within the interval as a low-bias alternative to raw model score and weighted average. We perform extensive experiments and analysis, which show that conformal prediction can provide valid prediction interval with coverage guarantees. We also explore the usefulness of interval midpoint and judge reprompting for better judgment.

Accurate probabilistic weather forecasting demands both high accuracy and efficient uncertainty quantification, challenges that overburden both ensemble numerical weather prediction (NWP) and recent machine-learning methods. We introduce LaDCast, the first global latent-diffusion framework for medium-range ensemble forecasting, which generates hourly ensemble forecasts entirely in a learned latent space. An autoencoder compresses high-dimensional ERA5 reanalysis fields into a compact representation, and a transformer-based diffusion model produces sequential latent updates with arbitrary hour initialization. The model incorporates Geometric Rotary Position Embedding (GeoRoPE) to account for the Earth's spherical geometry, a dual-stream attention mechanism for efficient conditioning, and sinusoidal temporal embeddings to capture seasonal patterns. LaDCast achieves deterministic and probabilistic skill close to that of the European Centre for Medium-Range Forecast IFS-ENS, without any explicit perturbations. Notably, LaDCast demonstrates superior performance in tracking rare extreme events such as cyclones, capturing their trajectories more accurately than established models. By operating in latent space, LaDCast reduces storage and compute by orders of magnitude, demonstrating a practical path toward forecasting at kilometer-scale resolution in real time. We open-source our code and models and provide the training and evaluation pipelines at: https://github.com/tonyzyl/ladcast.

Large language models (LLMs) excel in many tasks but struggle to accurately quantify uncertainty in their generated responses. This limitation makes it challenging to detect misinformation and ensure reliable decision-making. Existing uncertainty quantification (UQ) methods for LLMs are primarily prompt-wise rather than response-wise, often requiring multiple response samples, which incurs high computational costs. Moreover, LLMs have been shown to be overconfident, particularly when using reasoning steps to derive their answers. In this work, we propose CoT-UQ, a response-wise UQ framework that integrates LLMs' inherent reasoning capabilities through Chain-of-Thought (CoT) into the UQ process. CoT-UQ captures critical information during inference by extracting keywords from each reasoning step and assessing their importance to the final answer. This key reasoning information is then aggregated to produce a final uncertainty estimate. We conduct extensive experiments based on LLaMA Family with model sizes varying from 8B to 13B across logical and mathematical reasoning tasks. Experimental results demonstrate that CoT-UQ significantly outperforms existing UQ methods, achieving an average improvement of 5.9% AUROC compared to current UQ methods. The code is available at: https://github.com/ZBox1005/CoT-UQ.

In this paper, we propose a unified approach to harness quantum conformal methods for multi-output distributions, with a particular emphasis on two experimental paradigms: (i) a standard 2-qubit circuit scenario producing a four-dimensional outcome distribution, and (ii) a multi-basis measurement setting that concatenates measurement probabilities in different bases (Z, X, Y) into a twelve-dimensional output space. By combining a multioutput regression model (e.g., random forests) with distributional conformal prediction, we validate coverage and interval-set sizes on both simulated quantum data and multi-basis measurement data. Our results confirm that classical conformal prediction can effectively provide coverage guarantees even when the target probabilities derive from inherently quantum processes. Such synergy opens the door to next-generation quantum-classical hybrid frameworks, providing both improved interpretability and rigorous coverage for quantum machine learning tasks. All codes and full reproducible Colab notebooks are made available at https://github.com/detasar/QECMMOU.

Common evaluation paradigms for language models focus on scoring single responses through accuracy metrics or proper scoring rules, failing to capture the full richness of a model's belief state. Recent work illustrates that language models hallucinate in-part because they are optimised to be good test-takers under binary scoring schemes that reward any answer over abstention. While this insight naturally leads to penalty-based approaches, they ignore crucial distinctions in how models distribute uncertainty, for example between hedging toward incorrect answers versus hedging toward "I don't know" responses. A novel evaluation metric, the Distributional Correctness Score (DCS), is introduced to solve this problem, i.e., of not considering a model's entire probability distribution over answer choices. DCS naturally distinguishes between harmful overconfidence in wrong answers and uncertainty expressed through abstention, providing scores in an interpretable default range. Through theoretical analysis and illustrative examples, DCS is demonstrated to offer a more nuanced and aligned evaluation paradigm that incentivises models to express genuine uncertainty rather than guessing. Adapting 12 existing evaluation benchmarks to DCS's variants and measuring performance on six language models reveals that for half of the tested benchmarks scores are negative across all tested models, indicating significant tendencies towards hallucination.

This paper introduces the Univariate Gaussian Mixture Model Neural Network (uGMM-NN), a novel neural architecture that embeds probabilistic reasoning directly into the computational units of deep networks. Unlike traditional neurons, which apply weighted sums followed by fixed nonlinearities, each uGMM-NN node parameterizes its activations as a univariate Gaussian mixture, with learnable means, variances, and mixing coefficients. This design enables richer representations by capturing multimodality and uncertainty at the level of individual neurons, while retaining the scalability of standard feedforward networks. We demonstrate that uGMM-NN can achieve competitive discriminative performance compared to conventional multilayer perceptrons, while additionally offering a probabilistic interpretation of activations. The proposed framework provides a foundation for integrating uncertainty-aware components into modern neural architectures, opening new directions for both discriminative and generative modeling.

Code generation using large language models (LLMs) is highly sensitive to the choice of tokens during decoding, especially at points of uncertainty that critically affect the generated program's logic. Conventional decoding methods such as greedy search and beam search apply uniform treatment to all tokens, neglecting the unique uncertainty characteristics inherent in code generation, which can result in suboptimal outputs. In this work, we conduct an empirical analysis demonstrating that a significant portion of generation errors arises from incorrect token ranking at high-uncertainty steps, where the ground truth token exists in the candidate set but fails to be ranked first. Inspired by this insight, we introduce AdaDec, an adaptive decoding framework guided by token-level uncertainty quantified via Shannon entropy. AdaDec dynamically learns uncertainty thresholds tailored to each model and employs a pause-then-rerank mechanism with lookahead when the uncertainty surpasses these thresholds. Evaluation on the HumanEval and MBPP benchmarks reveals that AdaDec achieves up to a 15.5% improvement in Pass@1 accuracy compared to greedy decoding, matches or outperforms traditional beam search, and reduces both computational overhead and latency through targeted, selective pausing. Our findings suggest that uncertainty-aware adaptive decoding holds considerable potential for enhancing both the reliability and efficiency of code generation with LLMs.

This paper presents the Entropy-Driven Unified Process Reward Model (EDU-PRM), a novel framework that approximates state-of-the-art performance in process supervision while drastically reducing training costs. EDU-PRM introduces an entropy-guided dynamic step partitioning mechanism, using logit distribution entropy to pinpoint high-uncertainty regions during token generation dynamically. This self-assessment capability enables precise step-level feedback without manual fine-grained annotation, addressing a critical challenge in process supervision. Experiments on the Qwen2.5-72B model with only 7,500 EDU-PRM-generated training queries demonstrate accuracy closely approximating the full Qwen2.5-72B-PRM (71.1% vs. 71.6%), achieving a 98% reduction in query cost compared to prior methods. This work establishes EDU-PRM as an efficient approach for scalable process reward model training.

We present Entropy Adaptive Decoding (EAD), a novel approach for efficient language model inference that dynamically switches between different-sized models based on prediction uncertainty. By monitoring rolling entropy in model logit distributions, our method identifies text regions where a smaller model suffices and switches to a larger model only when prediction uncertainty exceeds a threshold. Unlike speculative decoding approaches that maintain perfect output fidelity through verification, EAD accepts controlled output divergence in exchange for computational efficiency. Our experiments on the MATH benchmark demonstrate remarkable efficiency gains across different model families. Using the LLaMA family, we maintain 96.7\% of the 11B model's performance (50.4\% vs 52.1\%) while using it for only 43\% of tokens, decreasing computational cost by 41.5\%. These gains become more pronounced with larger size differentials in the Qwen family, where we achieve 92.9\% of the 14B model's performance (74.3\% vs 80.0\%) while using it for just 25\% of tokens, decreasing computational cost by 67\%. The consistency of these results across model pairs suggests that language model computation can be significantly optimized by selectively deploying model capacity based on local generation complexity. Our findings indicate that current approaches to model inference may be unnecessarily conservative in their pursuit of perfect output fidelity, and that accepting minor performance trade-offs can enable dramatic reductions in computational costs.

Deep Learning-based image super-resolution (SR) has been gaining traction with the aid of Generative Adversarial Networks. Models like SRGAN and ESRGAN are constantly ranked between the best image SR tools. However, they lack principled ways for estimating predictive uncertainty. In the present work, we enhance these models using Monte Carlo-Dropout and Deep Ensemble, allowing the computation of predictive uncertainty. When coupled with a prediction, uncertainty estimates can provide more information to the model users, highlighting pixels where the SR output might be uncertain, hence potentially inaccurate, if these estimates were to be reliable. Our findings suggest that these uncertainty estimates are decently calibrated and can hence fulfill this goal, while providing no performance drop with respect to the corresponding models without uncertainty estimation.

Reliable estimation of predictive uncertainty is crucial for machine learning applications, particularly in high-stakes scenarios where hedging against risks is essential. Despite its significance, there is no universal agreement on how to best quantify predictive uncertainty. In this work, we revisit core concepts to propose a framework for information-theoretic measures of predictive uncertainty. Our proposed framework categorizes predictive uncertainty measures according to two factors: (I) The predicting model (II) The approximation of the true predictive distribution. Examining all possible combinations of these two factors, we derive a set of predictive uncertainty measures that includes both known and newly introduced ones. We extensively evaluate these measures across a broad set of tasks, identifying conditions under which certain measures excel. Our findings show the importance of aligning the choice of uncertainty measure with the predicting model on in-distribution (ID) data, the limitations of epistemic uncertainty measures for out-of-distribution (OOD) data, and that the disentanglement between measures varies substantially between ID and OOD data. Together, these insights provide a more comprehensive understanding of predictive uncertainty measures, revealing their implicit assumptions and relationships.

Sequential Recommenders generate recommendations based on users' historical interaction sequences. However, in practice, these collected sequences are often contaminated by noisy interactions, which significantly impairs recommendation performance. Accurately identifying such noisy interactions without additional information is particularly challenging due to the absence of explicit supervisory signals indicating noise. Large Language Models (LLMs), equipped with extensive open knowledge and semantic reasoning abilities, offer a promising avenue to bridge this information gap. However, employing LLMs for denoising in sequential recommendation presents notable challenges: 1) Direct application of pretrained LLMs may not be competent for the denoising task, frequently generating nonsensical responses; 2) Even after fine-tuning, the reliability of LLM outputs remains questionable, especially given the complexity of the denoising task and the inherent hallucinatory issue of LLMs. To tackle these challenges, we propose LLM4DSR, a tailored approach for denoising sequential recommendation using LLMs. We constructed a self-supervised fine-tuning task to activate LLMs' capabilities to identify noisy items and suggest replacements. Furthermore, we developed an uncertainty estimation module that ensures only high-confidence responses are utilized for sequence corrections. Remarkably, LLM4DSR is model-agnostic, allowing corrected sequences to be flexibly applied across various recommendation models. Extensive experiments validate the superiority of LLM4DSR over existing methods.

This paper presents a continuous-time optimal control framework for the generation of reference trajectories in driving scenarios with uncertainty. A previous work presented a discrete-time stochastic generator for autonomous vehicles; those results are extended to continuous time to ensure the robustness of the generator in a real-time setting. We show that the stochastic model in continuous time can capture the uncertainty of information by producing better results, limiting the risk of violating the problem's constraints compared to a discrete approach. Dynamic solvers provide faster computation and the continuous-time model is more robust to a wider variety of driving scenarios than the discrete-time model, as it can handle further time horizons, which allows trajectory planning outside the framework of urban driving scenarios.

The generality of pretrained large language models (LLMs) has prompted increasing interest in their use as in-context learning agents. To be successful, such agents must form beliefs about how to achieve their goals based on limited interaction with their environment, resulting in uncertainty about the best action to take at each step. In this paper, we study how LLM agents form and act on these beliefs by conducting experiments in controlled sequential decision-making tasks. To begin, we find that LLM agents are overconfident: They draw strong conclusions about what to do based on insufficient evidence, resulting in inadequately explorative behavior. We dig deeper into this phenomenon and show how it emerges from a collapse in the entropy of the action distribution implied by sampling from the LLM. We then demonstrate that existing token-level sampling techniques are by themselves insufficient to make the agent explore more. Motivated by this fact, we introduce Entropic Activation Steering (EAST), an activation steering method for in-context LLM agents. EAST computes a steering vector as an entropy-weighted combination of representations, and uses it to manipulate an LLM agent's uncertainty over actions by intervening on its activations during the forward pass. We show that EAST can reliably increase the entropy in an LLM agent's actions, causing more explorative behavior to emerge. Finally, EAST modifies the subjective uncertainty an LLM agent expresses, paving the way to interpreting and controlling how LLM agents represent uncertainty about their decisions.

Retrieval-augmented generation (RAG) frameworks enable large language models (LLMs) to retrieve relevant information from a knowledge base and incorporate it into the context for generating responses. This mitigates hallucinations and allows for the updating of knowledge without retraining the LLM. However, RAG does not guarantee valid responses if retrieval fails to identify the necessary information as the context for response generation. Also, if there is contradictory content, the RAG response will likely reflect only one of the two possible responses. Therefore, quantifying uncertainty in the retrieval process is crucial for ensuring RAG trustworthiness. In this report, we introduce a four-step framework for applying conformal prediction to quantify retrieval uncertainty in RAG frameworks. First, a calibration set of questions answerable from the knowledge base is constructed. Each question's embedding is compared against document embeddings to identify the most relevant document chunks containing the answer and record their similarity scores. Given a user-specified error rate ({\alpha}), these similarity scores are then analyzed to determine a similarity score cutoff threshold. During inference, all chunks with similarity exceeding this threshold are retrieved to provide context to the LLM, ensuring the true answer is captured in the context with a (1-{\alpha}) confidence level. We provide a Python package that enables users to implement the entire workflow proposed in our work, only using LLMs and without human intervention.

We study how to characterize and predict the truthfulness of texts generated from large language models (LLMs), which serves as a crucial step in building trust between humans and LLMs. Although several approaches based on entropy or verbalized uncertainty have been proposed to calibrate model predictions, these methods are often intractable, sensitive to hyperparameters, and less reliable when applied in generative tasks with LLMs. In this paper, we suggest investigating internal activations and quantifying LLM's truthfulness using the local intrinsic dimension (LID) of model activations. Through experiments on four question answering (QA) datasets, we demonstrate the effectiveness ohttps://info.arxiv.org/help/prep#abstractsf our proposed method. Additionally, we study intrinsic dimensions in LLMs and their relations with model layers, autoregressive language modeling, and the training of LLMs, revealing that intrinsic dimensions can be a powerful approach to understanding LLMs.

We introduce PACOH-RL, a novel model-based Meta-Reinforcement Learning (Meta-RL) algorithm designed to efficiently adapt control policies to changing dynamics. PACOH-RL meta-learns priors for the dynamics model, allowing swift adaptation to new dynamics with minimal interaction data. Existing Meta-RL methods require abundant meta-learning data, limiting their applicability in settings such as robotics, where data is costly to obtain. To address this, PACOH-RL incorporates regularization and epistemic uncertainty quantification in both the meta-learning and task adaptation stages. When facing new dynamics, we use these uncertainty estimates to effectively guide exploration and data collection. Overall, this enables positive transfer, even when access to data from prior tasks or dynamic settings is severely limited. Our experiment results demonstrate that PACOH-RL outperforms model-based RL and model-based Meta-RL baselines in adapting to new dynamic conditions. Finally, on a real robotic car, we showcase the potential for efficient RL policy adaptation in diverse, data-scarce conditions.

Correlation based stereo matching has achieved outstanding performance, which pursues cost volume between two feature maps. Unfortunately, current methods with a fixed model do not work uniformly well across various datasets, greatly limiting their real-world applicability. To tackle this issue, this paper proposes a new perspective to dynamically calculate correlation for robust stereo matching. A novel Uncertainty Guided Adaptive Correlation (UGAC) module is introduced to robustly adapt the same model for different scenarios. Specifically, a variance-based uncertainty estimation is employed to adaptively adjust the sampling area during warping operation. Additionally, we improve the traditional non-parametric warping with learnable parameters, such that the position-specific weights can be learned. We show that by empowering the recurrent network with the UGAC module, stereo matching can be exploited more robustly and effectively. Extensive experiments demonstrate that our method achieves state-of-the-art performance over the ETH3D, KITTI, and Middlebury datasets when employing the same fixed model over these datasets without any retraining procedure. To target real-time applications, we further design a lightweight model based on UGAC, which also outperforms other methods over KITTI benchmarks with only 0.6 M parameters.

The pervasive uncertainty and dynamic nature of real-world environments present significant challenges for the widespread implementation of machine-driven Intelligent Decision-Making (IDM) systems. Consequently, IDM should possess the ability to continuously acquire new skills and effectively generalize across a broad range of applications. The advancement of Artificial General Intelligence (AGI) that transcends task and application boundaries is critical for enhancing IDM. Recent studies have extensively investigated the Transformer neural architecture as a foundational model for various tasks, including computer vision, natural language processing, and reinforcement learning. We propose that a Foundation Decision Model (FDM) can be developed by formulating diverse decision-making tasks as sequence decoding tasks using the Transformer architecture, offering a promising solution for expanding IDM applications in complex real-world situations. In this paper, we discuss the efficiency and generalization improvements offered by a foundation decision model for IDM and explore its potential applications in multi-agent game AI, production scheduling, and robotics tasks. Lastly, we present a case study demonstrating our FDM implementation, DigitalBrain (DB1) with 1.3 billion parameters, achieving human-level performance in 870 tasks, such as text generation, image captioning, video game playing, robotic control, and traveling salesman problems. As a foundation decision model, DB1 represents an initial step toward more autonomous and efficient real-world IDM applications.

Ensuring vertical separation is a key means of maintaining safe separation between aircraft in congested airspace. Aircraft trajectories are modelled in the presence of significant epistemic uncertainty, leading to discrepancies between observed trajectories and the predictions of deterministic models, hampering the task of planning to ensure safe separation. In this paper a probabilistic model is presented, for the purpose of emulating the trajectories of aircraft in climb and bounding the uncertainty of the predicted trajectory. A monotonic, functional representation exploits the spatio-temporal correlations in the radar observations. Through the use of Gaussian Process Emulators, features that parameterise the climb are mapped directly to functional outputs, providing a fast approximation, while ensuring that the resulting trajectory is monotonic. The model was applied as a probabilistic digital twin for aircraft in climb and baselined against BADA, a deterministic model widely used in industry. When applied to an unseen test dataset, the probabilistic model was found to provide a mean prediction that was 21% more accurate, with a 34% sharper forecast.

In the real world, the frequency of occurrence of objects is naturally skewed forming long-tail class distributions, which results in poor performance on the statistically rare classes. A promising solution is to mine tail-class examples to balance the training dataset. However, mining tail-class examples is a very challenging task. For instance, most of the otherwise successful uncertainty-based mining approaches struggle due to distortion of class probabilities resulting from skewness in data. In this work, we propose an effective, yet simple, approach to overcome these challenges. Our framework enhances the subdued tail-class activations and, thereafter, uses a one-class data-centric approach to effectively identify tail-class examples. We carry out an exhaustive evaluation of our framework on three datasets spanning over two computer vision tasks. Substantial improvements in the minority-class mining and fine-tuned model's performance strongly corroborate the value of our proposed solution.

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

Quantile regression is a fundamental problem in statistical learning motivated by a need to quantify uncertainty in predictions, or to model a diverse population without being overly reductive. For instance, epidemiological forecasts, cost estimates, and revenue predictions all benefit from being able to quantify the range of possible values accurately. As such, many models have been developed for this problem over many years of research in statistics, machine learning, and related fields. Rather than proposing yet another (new) algorithm for quantile regression we adopt a meta viewpoint: we investigate methods for aggregating any number of conditional quantile models, in order to improve accuracy and robustness. We consider weighted ensembles where weights may vary over not only individual models, but also over quantile levels, and feature values. All of the models we consider in this paper can be fit using modern deep learning toolkits, and hence are widely accessible (from an implementation point of view) and scalable. To improve the accuracy of the predicted quantiles (or equivalently, prediction intervals), we develop tools for ensuring that quantiles remain monotonically ordered, and apply conformal calibration methods. These can be used without any modification of the original library of base models. We also review some basic theory surrounding quantile aggregation and related scoring rules, and contribute a few new results to this literature (for example, the fact that post sorting or post isotonic regression can only improve the weighted interval score). Finally, we provide an extensive suite of empirical comparisons across 34 data sets from two different benchmark repositories.

As the number of novel data-driven approaches to material science continues to grow, it is crucial to perform consistent quality, reliability and applicability assessments of model performance. In this paper, we benchmark the Materials Optimal Descriptor Network (MODNet) method and architecture against the recently released MatBench v0.1, a curated test suite of materials datasets. MODNet is shown to outperform current leaders on 6 of the 13 tasks, whilst closely matching the current leaders on a further 2 tasks; MODNet performs particularly well when the number of samples is below 10,000. Attention is paid to two topics of concern when benchmarking models. First, we encourage the reporting of a more diverse set of metrics as it leads to a more comprehensive and holistic comparison of model performance. Second, an equally important task is the uncertainty assessment of a model towards a target domain. Significant variations in validation errors can be observed, depending on the imbalance and bias in the training set (i.e., similarity between training and application space). By using an ensemble MODNet model, confidence intervals can be built and the uncertainty on individual predictions can be quantified. Imbalance and bias issues are often overlooked, and yet are important for successful real-world applications of machine learning in materials science and condensed matter.

Large, labeled datasets have driven deep learning methods to achieve expert-level performance on a variety of medical imaging tasks. We present CheXpert, a large dataset that contains 224,316 chest radiographs of 65,240 patients. We design a labeler to automatically detect the presence of 14 observations in radiology reports, capturing uncertainties inherent in radiograph interpretation. We investigate different approaches to using the uncertainty labels for training convolutional neural networks that output the probability of these observations given the available frontal and lateral radiographs. On a validation set of 200 chest radiographic studies which were manually annotated by 3 board-certified radiologists, we find that different uncertainty approaches are useful for different pathologies. We then evaluate our best model on a test set composed of 500 chest radiographic studies annotated by a consensus of 5 board-certified radiologists, and compare the performance of our model to that of 3 additional radiologists in the detection of 5 selected pathologies. On Cardiomegaly, Edema, and Pleural Effusion, the model ROC and PR curves lie above all 3 radiologist operating points. We release the dataset to the public as a standard benchmark to evaluate performance of chest radiograph interpretation models. The dataset is freely available at https://stanfordmlgroup.github.io/competitions/chexpert .

Large vision-language models (LVLMs), which integrate a vision encoder (VE) with a large language model, have achieved remarkable success across various tasks. However, there are still crucial challenges in LVLMs such as object hallucination, generating descriptions of objects that are not in the input image. Here, we argue that uncertain visual tokens within the VE is a key factor that contributes to object hallucination. Our statistical analysis found that there are positive correlations between visual tokens with high epistemic uncertainty and the occurrence of hallucinations. Furthermore, we show theoretically and empirically that visual tokens in early VE layers that exhibit large representation deviations under small adversarial perturbations indicate high epistemic uncertainty. Based on these findings, we propose a simple yet effective strategy to mitigate object hallucination by modifying the VE only. Our method comprises a proxy method with adversarial perturbations for identifying uncertain visual tokens efficiently and a method to mask these uncertain visual tokens during the self-attention process in the middle layers of the VE, suppressing their influence on visual encoding and thus alleviating hallucinations. Extensive experiments show that our method significantly reduces object hallucinations in LVLMs and can synergistically work with other prior arts.

Process Reward Models (PRMs) provide step-level supervision to large language models (LLMs), but scaling up training data annotation remains challenging for both humans and LLMs. To address this limitation, we propose an active learning approach, ActPRM, which proactively selects the most uncertain samples for training, substantially reducing labeling costs. During training, we use the PRM to estimate uncertainty after the forward pass, retaining only highly uncertain data. A capable yet costly reasoning model then labels this data. Then we compute the loss with respect to the labels and update the PRM's weights. We compare ActPRM vs. vanilla fine-tuning, on a pool-based active learning setting, demonstrating that ActPRM reduces 50% annotation, but achieving the comparable or even better performance. Beyond annotation efficiency, we further advance the actively trained PRM by filtering over 1M+ math reasoning trajectories with ActPRM, retaining 60% of the data. A subsequent training on this selected dataset yields a new state-of-the-art (SOTA) PRM on ProcessBench (75.0%) and PRMBench (65.5%) compared with same sized models.

It is important for Large Language Models to be aware of the boundary of their knowledge, the mechanism of identifying known and unknown queries. This type of awareness can help models perform adaptive inference, such as invoking RAG, engaging in slow and deep thinking, or adopting the abstention mechanism, which is beneficial to the development of efficient and trustworthy AI. In this work, we propose a method to detect knowledge boundaries via Query-Level Uncertainty, which aims to determine if the model is able to address a given query without generating any tokens. To this end, we introduce a novel and training-free method called Internal Confidence, which leverages self-evaluations across layers and tokens. Empirical results on both factual QA and mathematical reasoning tasks demonstrate that our internal confidence can outperform several baselines. Furthermore, we showcase that our proposed method can be used for efficient RAG and model cascading, which is able to reduce inference costs while maintaining performance.

In the real world, image degradations caused by rain often exhibit a combination of rain streaks and raindrops, thereby increasing the challenges of recovering the underlying clean image. Note that the rain streaks and raindrops have diverse shapes, sizes, and locations in the captured image, and thus modeling the correlation relationship between irregular degradations caused by rain artifacts is a necessary prerequisite for image deraining. This paper aims to present an efficient and flexible mechanism to learn and model degradation relationships in a global view, thereby achieving a unified removal of intricate rain scenes. To do so, we propose a Sparse Sampling Transformer based on Uncertainty-Driven Ranking, dubbed UDR-S2Former. Compared to previous methods, our UDR-S2Former has three merits. First, it can adaptively sample relevant image degradation information to model underlying degradation relationships. Second, explicit application of the uncertainty-driven ranking strategy can facilitate the network to attend to degradation features and understand the reconstruction process. Finally, experimental results show that our UDR-S2Former clearly outperforms state-of-the-art methods for all benchmarks.

We propose a learning-based method to recover normals, specularity, and roughness from a single diffuse image of a material, using microgeometry appearance as our primary cue. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. In contrast, in this work, we propose a novel capture approach that leverages a generative network with attention and a U-Net discriminator, which shows outstanding performance integrating global information at reduced computational complexity. We showcase the performance of our method with a real dataset of digitized textile materials and show that a commodity flatbed scanner can produce the type of diffuse illumination required as input to our method. Additionally, because the problem might be illposed -more than a single diffuse image might be needed to disambiguate the specular reflection- or because the training dataset is not representative enough of the real distribution, we propose a novel framework to quantify the model's confidence about its prediction at test time. Our method is the first one to deal with the problem of modeling uncertainty in material digitization, increasing the trustworthiness of the process and enabling more intelligent strategies for dataset creation, as we demonstrate with an active learning experiment.

Image matting aims to predict alpha values of elaborate uncertainty areas of natural images, like hairs, smoke, and spider web. However, existing methods perform poorly when faced with highly transparent foreground objects due to the large area of uncertainty to predict and the small receptive field of convolutional networks. To address this issue, we propose a Transformer-based network (TransMatting) to model transparent objects with long-range features and collect a high-resolution matting dataset of transparent objects (Transparent-460) for performance evaluation. Specifically, to utilize semantic information in the trimap flexibly and effectively, we also redesign the trimap as three learnable tokens, named tri-token. Both Transformer and convolution matting models could benefit from our proposed tri-token design. By replacing the traditional trimap concatenation strategy with our tri-token, existing matting methods could achieve about 10% improvement in SAD and 20% in MSE. Equipped with the new tri-token design, our proposed TransMatting outperforms current state-of-the-art methods on several popular matting benchmarks and our newly collected Transparent-460.

Multimodal large language models (MLLMs) have recently achieved state-of-the-art performance on tasks ranging from visual question answering to video understanding. However, existing studies have concentrated mainly on visual-textual misalignment, leaving largely unexplored the MLLMs' ability to preserve an originally correct answer when confronted with misleading information. We reveal a response uncertainty phenomenon: across nine standard datasets, twelve state-of-the-art open-source MLLMs overturn a previously correct answer in 65% of cases after receiving a single deceptive cue. To systematically quantify this vulnerability, we propose a two-stage evaluation pipeline: (1) elicit each model's original response on unperturbed inputs; (2) inject explicit (false-answer hints) and implicit (contextual contradictions) misleading instructions, and compute the misleading rate - the fraction of correct-to-incorrect flips. Leveraging the most susceptible examples, we curate the Multimodal Uncertainty Benchmark (MUB), a collection of image-question pairs stratified into low, medium, and high difficulty based on how many of twelve state-of-the-art MLLMs they mislead. Extensive evaluation on twelve open-source and five closed-source models reveals a high uncertainty: average misleading rates exceed 86%, with explicit cues over 67.19% and implicit cues over 80.67%. To reduce the misleading rate, we then fine-tune all open-source MLLMs on a compact 2000-sample mixed-instruction dataset, reducing misleading rates to 6.97% (explicit) and 32.77% (implicit), boosting consistency by nearly 29.37% on highly deceptive inputs, and slightly improving accuracy on standard benchmarks. Our code is available at https://github.com/Yunkaidang/uncertainty

Although data-driven methods have achieved success in 3D human pose estimation, they often suffer from domain gaps and exhibit limited generalization. In contrast, optimization-based methods excel in fine-tuning for specific cases but are generally inferior to data-driven methods in overall performance. We observe that previous optimization-based methods commonly rely on a projection constraint, which only ensures alignment in 2D space, potentially leading to the overfitting problem. To address this, we propose an Uncertainty-Aware testing-time Optimization (UAO) framework, which keeps the prior information of the pre-trained model and alleviates the overfitting problem using the uncertainty of joints. Specifically, during the training phase, we design an effective 2D-to-3D network for estimating the corresponding 3D pose while quantifying the uncertainty of each 3D joint. For optimization during testing, the proposed optimization framework freezes the pre-trained model and optimizes only a latent state. Projection loss is then employed to ensure the generated poses are well aligned in 2D space for high-quality optimization. Furthermore, we utilize the uncertainty of each joint to determine how much each joint is allowed for optimization. The effectiveness and superiority of the proposed framework are validated through extensive experiments on challenging datasets: Human3.6M, MPI-INF-3DHP, and 3DPW. Notably, our approach outperforms the previous best result by a large margin of 5.5\% on Human3.6M. Code is available at https://github.com/xiu-cs/UAO-Pose3D{https://github.com/xiu-cs/UAO-Pose3D}.

Reinforcement learning from human feedback (RLHF) is a standard approach for fine-tuning large language models to follow instructions. As part of this process, learned reward models are used to approximately model human preferences. However, as imperfect representations of the "true" reward, these learned reward models are susceptible to overoptimization. Gao et al. (2023) studied this phenomenon in a synthetic human feedback setup with a significantly larger "gold" reward model acting as the true reward (instead of humans) and showed that overoptimization remains a persistent problem regardless of the size of the proxy reward model and training data used. Using a similar setup, we conduct a systematic study to evaluate the efficacy of using ensemble-based conservative optimization objectives, specifically worst-case optimization (WCO) and uncertainty-weighted optimization (UWO), for mitigating reward model overoptimization when using two optimization methods: (a) best-of-n sampling (BoN) (b) proximal policy optimization (PPO). We additionally extend the setup of Gao et al. (2023) to include 25% label noise to better mirror real-world conditions. Both with and without label noise, we find that conservative optimization practically eliminates overoptimization and improves performance by up to 70% for BoN sampling. For PPO, ensemble-based conservative optimization always reduces overoptimization and outperforms single reward model optimization. Moreover, combining it with a small KL penalty successfully prevents overoptimization at no performance cost. Overall, our results demonstrate that ensemble-based conservative optimization can effectively counter overoptimization.

Uncertainty Quantification (UQ) research has primarily focused on closed-book factual question answering (QA), while contextual QA remains unexplored, despite its importance in real-world applications. In this work, we focus on UQ for the contextual QA task and propose a theoretically grounded approach to quantify epistemic uncertainty. We begin by introducing a task-agnostic, token-level uncertainty measure defined as the cross-entropy between the predictive distribution of the given model and the unknown true distribution. By decomposing this measure, we isolate the epistemic component and approximate the true distribution by a perfectly prompted, idealized model. We then derive an upper bound for epistemic uncertainty and show that it can be interpreted as semantic feature gaps in the given model's hidden representations relative to the ideal model. We further apply this generic framework to the contextual QA task and hypothesize that three features approximate this gap: context-reliance (using the provided context rather than parametric knowledge), context comprehension (extracting relevant information from context), and honesty (avoiding intentional lies). Using a top-down interpretability approach, we extract these features by using only a small number of labeled samples and ensemble them to form a robust uncertainty score. Experiments on multiple QA benchmarks in both in-distribution and out-of-distribution settings show that our method substantially outperforms state-of-the-art unsupervised (sampling-free and sampling-based) and supervised UQ methods, achieving up to a 13-point PRR improvement while incurring a negligible inference overhead.

Cold-start active learning (CSAL) selects valuable instances from an unlabeled dataset for manual annotation. It provides high-quality data at a low annotation cost for label-scarce text classification. However, existing CSAL methods overlook weak classes and hard representative examples, resulting in biased learning. To address these issues, this paper proposes a novel dual-diversity enhancing and uncertainty-aware (DEUCE) framework for CSAL. Specifically, DEUCE leverages a pretrained language model (PLM) to efficiently extract textual representations, class predictions, and predictive uncertainty. Then, it constructs a Dual-Neighbor Graph (DNG) to combine information on both textual diversity and class diversity, ensuring a balanced data distribution. It further propagates uncertainty information via density-based clustering to select hard representative instances. DEUCE performs well in selecting class-balanced and hard representative data by dual-diversity and informativeness. Experiments on six NLP datasets demonstrate the superiority and efficiency of DEUCE.

Large vision-language models (LVLMs) demonstrate remarkable capabilities in multimodal tasks but are prone to misinterpreting visual inputs, often resulting in hallucinations and unreliable outputs. To address these challenges, we propose Dropout Decoding, a novel inference-time approach that quantifies the uncertainty of visual tokens and selectively masks uncertain tokens to improve decoding. Our method measures the uncertainty of each visual token by projecting it onto the text space and decomposing it into aleatoric and epistemic components. Specifically, we focus on epistemic uncertainty, which captures perception-related errors more effectively. Inspired by dropout regularization, we introduce uncertainty-guided token dropout, which applies the dropout principle to input visual tokens instead of model parameters, and during inference rather than training. By aggregating predictions from an ensemble of masked decoding contexts, Dropout Decoding robustly mitigates errors arising from visual token misinterpretations. Evaluations on benchmarks including CHAIR, THRONE, and MMBench demonstrate that Dropout Decoding significantly reduces object hallucinations (OH) and enhances both reliability and quality of LVLM outputs across diverse visual contexts.

We explore the Iterative Inference Hypothesis (IIH) within the context of transformer-based language models, aiming to understand how a model's latent representations are progressively refined and whether observable differences are present between correct and incorrect generations. Our findings provide empirical support for the IIH, showing that the nth token embedding in the residual stream follows a trajectory of decreasing loss. Additionally, we observe that the rate at which residual embeddings converge to a stable output representation reflects uncertainty in the token generation process. Finally, we introduce a method utilizing cross-entropy to detect this uncertainty and demonstrate its potential to distinguish between correct and incorrect token generations on a dataset of idioms.

In this paper, we focus on the task of conditional image generation, where an image is synthesized according to user instructions. The critical challenge underpinning this task is ensuring both the fidelity of the generated images and their semantic alignment with the provided conditions. To tackle this issue, previous studies have employed supervised perceptual losses derived from pre-trained models, i.e., reward models, to enforce alignment between the condition and the generated result. However, we observe one inherent shortcoming: considering the diversity of synthesized images, the reward model usually provides inaccurate feedback when encountering newly generated data, which can undermine the training process. To address this limitation, we propose an uncertainty-aware reward modeling, called Ctrl-U, including uncertainty estimation and uncertainty-aware regularization, designed to reduce the adverse effects of imprecise feedback from the reward model. Given the inherent cognitive uncertainty within reward models, even images generated under identical conditions often result in a relatively large discrepancy in reward loss. Inspired by the observation, we explicitly leverage such prediction variance as an uncertainty indicator. Based on the uncertainty estimation, we regularize the model training by adaptively rectifying the reward. In particular, rewards with lower uncertainty receive higher loss weights, while those with higher uncertainty are given reduced weights to allow for larger variability. The proposed uncertainty regularization facilitates reward fine-tuning through consistency construction. Extensive experiments validate the effectiveness of our methodology in improving the controllability and generation quality, as well as its scalability across diverse conditional scenarios. Code will soon be available at https://grenoble-zhang.github.io/Ctrl-U-Page/.

Existing Video Temporal Grounding (VTG) models excel in accuracy but often overlook open-world challenges posed by open-vocabulary queries and untrimmed videos. This leads to unreliable predictions for noisy, corrupted, and out-of-distribution data. Adapting VTG models to dynamically estimate uncertainties based on user input can address this issue. To this end, we introduce SRAM, a robust network module that benefits from a two-stage cross-modal alignment task. More importantly, it integrates Deep Evidential Regression (DER) to explicitly and thoroughly quantify uncertainty during training, thus allowing the model to say "I do not know" in scenarios beyond its handling capacity. However, the direct application of traditional DER theory and its regularizer reveals structural flaws, leading to unintended constraints in VTG tasks. In response, we develop a simple yet effective Geom-regularizer that enhances the uncertainty learning framework from the ground up. To the best of our knowledge, this marks the first successful attempt of DER in VTG. Our extensive quantitative and qualitative results affirm the effectiveness, robustness, and interpretability of our modules and the uncertainty learning paradigm in VTG tasks. The code will be made available.

Static word embeddings are ubiquitous in computational social science applications and contribute to practical decision-making in a variety of fields including law and healthcare. However, assessing the statistical uncertainty in downstream conclusions drawn from word embedding statistics has remained challenging. When using only point estimates for embeddings, researchers have no streamlined way of assessing the degree to which their model selection criteria or scientific conclusions are subject to noise due to sparsity in the underlying data used to generate the embeddings. We introduce a method to obtain approximate, easy-to-use, and scalable reconstruction error variance estimates for GloVe (Pennington et al., 2014), one of the most widely used word embedding models, using an analytical approximation to a multivariate normal model. To demonstrate the value of embeddings with variance (GloVe-V), we illustrate how our approach enables principled hypothesis testing in core word embedding tasks, such as comparing the similarity between different word pairs in vector space, assessing the performance of different models, and analyzing the relative degree of ethnic or gender bias in a corpus using different word lists.

Numerous crucial tasks in real-world decision-making rely on machine learning algorithms with calibrated uncertainty estimates. However, modern methods often yield overconfident and uncalibrated predictions. Various approaches involve training an ensemble of separate models to quantify the uncertainty related to the model itself, known as epistemic uncertainty. In an explicit implementation, the ensemble approach has high computational cost and high memory requirements. This particular challenge is evident in state-of-the-art neural networks such as transformers, where even a single network is already demanding in terms of compute and memory. Consequently, efforts are made to emulate the ensemble model without actually instantiating separate ensemble members, referred to as implicit ensembling. We introduce LoRA-Ensemble, a parameter-efficient deep ensemble method for self-attention networks, which is based on Low-Rank Adaptation (LoRA). Initially developed for efficient LLM fine-tuning, we extend LoRA to an implicit ensembling approach. By employing a single pre-trained self-attention network with weights shared across all members, we train member-specific low-rank matrices for the attention projections. Our method exhibits superior calibration compared to explicit ensembles and achieves similar or better accuracy across various prediction tasks and datasets.

Safety and robustness are crucial factors in developing trustworthy autonomous vehicles. One essential aspect of addressing these factors is to equip vehicles with the capability to predict future trajectories for all moving objects in the surroundings and quantify prediction uncertainties. In this paper, we propose the Sequential Neural Variational Agent (SeNeVA), a generative model that describes the distribution of future trajectories for a single moving object. Our approach can distinguish Out-of-Distribution data while quantifying uncertainty and achieving competitive performance compared to state-of-the-art methods on the Argoverse 2 and INTERACTION datasets. Specifically, a 0.446 meters minimum Final Displacement Error, a 0.203 meters minimum Average Displacement Error, and a 5.35% Miss Rate are achieved on the INTERACTION test set. Extensive qualitative and quantitative analysis is also provided to evaluate the proposed model. Our open-source code is available at https://github.com/PurdueDigitalTwin/seneva.

This paper presents a groundbreaking self-improving interference management framework tailored for wireless communications, integrating deep learning with uncertainty quantification to enhance overall system performance. Our approach addresses the computational challenges inherent in traditional optimization-based algorithms by harnessing deep learning models to predict optimal interference management solutions. A significant breakthrough of our framework is its acknowledgment of the limitations inherent in data-driven models, particularly in scenarios not adequately represented by the training dataset. To overcome these challenges, we propose a method for uncertainty quantification, accompanied by a qualifying criterion, to assess the trustworthiness of model predictions. This framework strategically alternates between model-generated solutions and traditional algorithms, guided by a criterion that assesses the prediction credibility based on quantified uncertainties. Experimental results validate the framework's efficacy, demonstrating its superiority over traditional deep learning models, notably in scenarios underrepresented in the training dataset. This work marks a pioneering endeavor in harnessing self-improving deep learning for interference management, through the lens of uncertainty quantification.

We study the problem of offline pre-training and online fine-tuning for reinforcement learning from high-dimensional observations in the context of realistic robot tasks. Recent offline model-free approaches successfully use online fine-tuning to either improve the performance of the agent over the data collection policy or adapt to novel tasks. At the same time, model-based RL algorithms have achieved significant progress in sample efficiency and the complexity of the tasks they can solve, yet remain under-utilized in the fine-tuning setting. In this work, we argue that existing model-based offline RL methods are not suitable for offline-to-online fine-tuning in high-dimensional domains due to issues with distribution shifts, off-dynamics data, and non-stationary rewards. We propose an on-policy model-based method that can efficiently reuse prior data through model-based value expansion and policy regularization, while preventing model exploitation by controlling epistemic uncertainty. We find that our approach successfully solves tasks from the MetaWorld benchmark, as well as the Franka Kitchen robot manipulation environment completely from images. To the best of our knowledge, MOTO is the first method to solve this environment from pixels.

As the Chinese stock market continues to evolve and its market structure grows increasingly complex, traditional quantitative trading methods are facing escalating challenges. Particularly, due to policy uncertainty and the frequent market fluctuations triggered by sudden economic events, existing models often struggle to accurately predict market dynamics. To address these challenges, this paper introduces Stockformer, a price-volume factor stock selection model that integrates wavelet transformation and a multitask self-attention network, aimed at enhancing responsiveness and predictive accuracy regarding market instabilities. Through discrete wavelet transform, Stockformer decomposes stock returns into high and low frequencies, meticulously capturing long-term market trends and short-term fluctuations, including abrupt events. Moreover, the model incorporates a Dual-Frequency Spatiotemporal Encoder and graph embedding techniques to effectively capture complex temporal and spatial relationships among stocks. Employing a multitask learning strategy, it simultaneously predicts stock returns and directional trends. Experimental results show that Stockformer outperforms existing advanced methods on multiple real stock market datasets. In strategy backtesting, Stockformer consistently demonstrates exceptional stability and reliability across market conditions-whether rising, falling, or fluctuating-particularly maintaining high performance during downturns or volatile periods, indicating a high adaptability to market fluctuations. To foster innovation and collaboration in the financial analysis sector, the Stockformer model's code has been open-sourced and is available on the GitHub repository: https://github.com/Eric991005/Multitask-Stockformer.

Probabilistic model checking is a technique for formal automated reasoning about software or hardware systems that operate in the context of uncertainty or stochasticity. It builds upon ideas and techniques from a diverse range of fields, from logic, automata and graph theory, to optimisation, numerical methods and control. In recent years, probabilistic model checking has also been extended to integrate ideas from game theory, notably using models such as stochastic games and solution concepts such as equilibria, to formally verify the interaction of multiple rational agents with distinct objectives. This provides a means to reason flexibly about agents acting in either an adversarial or a collaborative fashion, and opens up opportunities to tackle new problems within, for example, artificial intelligence, robotics and autonomous systems. In this paper, we summarise some of the advances in this area, and highlight applications for which they have already been used. We discuss how the strengths of probabilistic model checking apply, or have the potential to apply, to the multi-agent setting and outline some of the key challenges required to make further progress in this field.

While 3D body reconstruction methods have made remarkable progress recently, it remains difficult to acquire the sufficiently accurate and numerous 3D supervisions required for training. In this paper, we propose KNOWN, a framework that effectively utilizes body KNOWledge and uNcertainty modeling to compensate for insufficient 3D supervisions. KNOWN exploits a comprehensive set of generic body constraints derived from well-established body knowledge. These generic constraints precisely and explicitly characterize the reconstruction plausibility and enable 3D reconstruction models to be trained without any 3D data. Moreover, existing methods typically use images from multiple datasets during training, which can result in data noise (e.g., inconsistent joint annotation) and data imbalance (e.g., minority images representing unusual poses or captured from challenging camera views). KNOWN solves these problems through a novel probabilistic framework that models both aleatoric and epistemic uncertainty. Aleatoric uncertainty is encoded in a robust Negative Log-Likelihood (NLL) training loss, while epistemic uncertainty is used to guide model refinement. Experiments demonstrate that KNOWN's body reconstruction outperforms prior weakly-supervised approaches, particularly on the challenging minority images.

Diffusion models have been widely adopted in image generation, producing higher-quality and more diverse samples than generative adversarial networks (GANs). We introduce a latent diffusion model (LDM) for precipitation nowcasting - short-term forecasting based on the latest observational data. The LDM is more stable and requires less computation to train than GANs, albeit with more computationally expensive generation. We benchmark it against the GAN-based Deep Generative Models of Rainfall (DGMR) and a statistical model, PySTEPS. The LDM produces more accurate precipitation predictions, while the comparisons are more mixed when predicting whether the precipitation exceeds predefined thresholds. The clearest advantage of the LDM is that it generates more diverse predictions than DGMR or PySTEPS. Rank distribution tests indicate that the distribution of samples from the LDM accurately reflects the uncertainty of the predictions. Thus, LDMs are promising for any applications where uncertainty quantification is important, such as weather and climate.

Sequential decision making, commonly formalized as Markov Decision Process (MDP) optimization, is a important challenge in artificial intelligence. Two key approaches to this problem are reinforcement learning (RL) and planning. This paper presents a survey of the integration of both fields, better known as model-based reinforcement learning. Model-based RL has two main steps. First, we systematically cover approaches to dynamics model learning, including challenges like dealing with stochasticity, uncertainty, partial observability, and temporal abstraction. Second, we present a systematic categorization of planning-learning integration, including aspects like: where to start planning, what budgets to allocate to planning and real data collection, how to plan, and how to integrate planning in the learning and acting loop. After these two sections, we also discuss implicit model-based RL as an end-to-end alternative for model learning and planning, and we cover the potential benefits of model-based RL. Along the way, the survey also draws connections to several related RL fields, like hierarchical RL and transfer learning. Altogether, the survey presents a broad conceptual overview of the combination of planning and learning for MDP optimization.

The choice of initial noise significantly affects the quality and prompt alignment of video diffusion models, where different noise seeds for the same prompt can lead to drastically different generations. While recent methods rely on externally designed priors such as frequency filters or inter-frame smoothing, they often overlook internal model signals that indicate which noise seeds are inherently preferable. To address this, we propose ANSE (Active Noise Selection for Generation), a model-aware framework that selects high-quality noise seeds by quantifying attention-based uncertainty. At its core is BANSA (Bayesian Active Noise Selection via Attention), an acquisition function that measures entropy disagreement across multiple stochastic attention samples to estimate model confidence and consistency. For efficient inference-time deployment, we introduce a Bernoulli-masked approximation of BANSA that enables score estimation using a single diffusion step and a subset of attention layers. Experiments on CogVideoX-2B and 5B demonstrate that ANSE improves video quality and temporal coherence with only an 8% and 13% increase in inference time, respectively, providing a principled and generalizable approach to noise selection in video diffusion. See our project page: https://anse-project.github.io/anse-project/

We develop a novel method for carrying out model selection for Bayesian autoencoders (BAEs) by means of prior hyper-parameter optimization. Inspired by the common practice of type-II maximum likelihood optimization and its equivalence to Kullback-Leibler divergence minimization, we propose to optimize the distributional sliced-Wasserstein distance (DSWD) between the output of the autoencoder and the empirical data distribution. The advantages of this formulation are that we can estimate the DSWD based on samples and handle high-dimensional problems. We carry out posterior estimation of the BAE parameters via stochastic gradient Hamiltonian Monte Carlo and turn our BAE into a generative model by fitting a flexible Dirichlet mixture model in the latent space. Consequently, we obtain a powerful alternative to variational autoencoders, which are the preferred choice in modern applications of autoencoders for representation learning with uncertainty. We evaluate our approach qualitatively and quantitatively using a vast experimental campaign on a number of unsupervised learning tasks and show that, in small-data regimes where priors matter, our approach provides state-of-the-art results, outperforming multiple competitive baselines.

Instruction fine-tuning (IFT) can increase the informativeness of large language models (LLMs), but may reduce their truthfulness. This trade-off arises because IFT steers LLMs to generate responses containing long-tail knowledge that was not well covered during pre-training. As a result, models become more informative but less accurate when generalizing to unseen tasks. In this paper, we empirically demonstrate how unfamiliar knowledge in IFT datasets can negatively affect the truthfulness of LLMs, and we introduce two new IFT paradigms, UNIT_{cut} and UNIT_{ref}, to address this issue. UNIT_{cut} identifies and removes unfamiliar knowledge from IFT datasets to mitigate its impact on model truthfulness, whereas UNIT_{ref} trains LLMs to recognize their uncertainty and explicitly indicate it at the end of their responses. Our experiments show that UNIT_{cut} substantially improves LLM truthfulness, while UNIT_{ref} maintains high informativeness and reduces hallucinations by distinguishing between confident and uncertain statements.

Large language models (LLMs) exhibit varying levels of confidence across input prompts (questions): some lead to consistent, semantically similar answers, while others yield diverse or contradictory outputs. This variation reflects LLM's uncertainty about the input prompt, a signal of how confidently the model understands a given problem. However, vanilla Group Relative Policy Optimization (GRPO) treats all prompts equally during policy updates, ignoring this important information about the model's knowledge boundaries. To address this limitation, we propose SEED-GRPO (Semantic Entropy EnhanceD GRPO), which explicitly measures LLMs' uncertainty of the input prompts semantic entropy. Semantic entropy measures the diversity of meaning in multiple generated answers given a prompt and uses this to modulate the magnitude of policy updates. This uncertainty-aware training mechanism enables dynamic adjustment of policy update magnitudes based on question uncertainty. It allows more conservative updates on high-uncertainty questions while maintaining the original learning signal on confident ones. Experimental results on five mathematical reasoning benchmarks (AIME24 56.7, AMC 68.7, MATH 83.4, Minerva 34.2, and OlympiadBench 48.0) demonstrate that SEED-GRPO achieves new state-of-the-art performance in average accuracy, validating the effectiveness of uncertainty-aware policy optimization.

Instruction tuning (IT) is crucial to tailoring large language models (LLMs) towards human-centric interactions. Recent advancements have shown that the careful selection of a small, high-quality subset of IT data can significantly enhance the performance of LLMs. Despite this, common approaches often rely on additional models or data sets, which increases costs and limits widespread adoption. In this work, we propose a novel approach, termed SelectIT, that capitalizes on the foundational capabilities of the LLM itself. Specifically, we exploit the intrinsic uncertainty present in LLMs to more effectively select high-quality IT data, without the need for extra resources. Furthermore, we introduce a novel IT dataset, the Selective Alpaca, created by applying SelectIT to the Alpaca-GPT4 dataset. Empirical results demonstrate that IT using Selective Alpaca leads to substantial model ability enhancement. The robustness of SelectIT has also been corroborated in various foundation models and domain-specific tasks. Our findings suggest that longer and more computationally intensive IT data may serve as superior sources of IT, offering valuable insights for future research in this area. Data, code, and scripts are freely available at https://github.com/Blue-Raincoat/SelectIT.

Building language models (LMs), especially small and medium ones, remains more art than science. While large LMs often improve by sheer scale, it is still unclear why many design choices work. For small LMs, this uncertainty is more limiting: tight parameter budgets make each decision critical, yet researchers still lack systematic, scientific ways to test and refine new ideas. We introduce Pico, a lightweight, modular framework that enables systematic, hypothesis-driven research for small and medium-scale language model development. Pico consists of two libraries that together provide a practical sandbox where researchers can make targeted changes to a model's architecture or training procedures and directly observe their effects on the model's behavior. To support reproducible experimentation, we also release a suite of baseline models, pico-decoder, trained under standardized conditions and open-sourced for the community. Case studies highlight how Pico can support iterative small LM design and analysis.

Deep neural networks are powerful predictors for a variety of tasks. However, they do not capture uncertainty directly. Using neural network ensembles to quantify uncertainty is competitive with approaches based on Bayesian neural networks while benefiting from better computational scalability. However, building ensembles of neural networks is a challenging task because, in addition to choosing the right neural architecture or hyperparameters for each member of the ensemble, there is an added cost of training each model. We propose AutoDEUQ, an automated approach for generating an ensemble of deep neural networks. Our approach leverages joint neural architecture and hyperparameter search to generate ensembles. We use the law of total variance to decompose the predictive variance of deep ensembles into aleatoric (data) and epistemic (model) uncertainties. We show that AutoDEUQ outperforms probabilistic backpropagation, Monte Carlo dropout, deep ensemble, distribution-free ensembles, and hyper ensemble methods on a number of regression benchmarks.

Hallucinations, defined as instances where Large Language Models (LLMs) generate false or misleading content, pose a significant challenge that impacts the safety and trust of downstream applications. We introduce UQLM, a Python package for LLM hallucination detection using state-of-the-art uncertainty quantification (UQ) techniques. This toolkit offers a suite of UQ-based scorers that compute response-level confidence scores ranging from 0 to 1. This library provides an off-the-shelf solution for UQ-based hallucination detection that can be easily integrated to enhance the reliability of LLM outputs.

Deep learning (DL) has become the dominant approach for medical image segmentation, yet ensuring the reliability and clinical applicability of these models requires addressing key challenges such as annotation variability, calibration, and uncertainty estimation. This is why we created the Calibration and Uncertainty for multiRater Volume Assessment in multiorgan Segmentation (CURVAS), which highlights the critical role of multiple annotators in establishing a more comprehensive ground truth, emphasizing that segmentation is inherently subjective and that leveraging inter-annotator variability is essential for robust model evaluation. Seven teams participated in the challenge, submitting a variety of DL models evaluated using metrics such as Dice Similarity Coefficient (DSC), Expected Calibration Error (ECE), and Continuous Ranked Probability Score (CRPS). By incorporating consensus and dissensus ground truth, we assess how DL models handle uncertainty and whether their confidence estimates align with true segmentation performance. Our findings reinforce the importance of well-calibrated models, as better calibration is strongly correlated with the quality of the results. Furthermore, we demonstrate that segmentation models trained on diverse datasets and enriched with pre-trained knowledge exhibit greater robustness, particularly in cases deviating from standard anatomical structures. Notably, the best-performing models achieved high DSC and well-calibrated uncertainty estimates. This work underscores the need for multi-annotator ground truth, thorough calibration assessments, and uncertainty-aware evaluations to develop trustworthy and clinically reliable DL-based medical image segmentation models.

Reward models (RMs) are essential for aligning Large Language Models (LLMs) with human preferences. However, they often struggle with capturing complex human preferences and generalizing to unseen data. To address these challenges, we introduce Energy-Based Reward Model (EBRM), a lightweight post-hoc refinement framework that enhances RM robustness and generalization. EBRM models the reward distribution explicitly, capturing uncertainty in human preferences and mitigating the impact of noisy or misaligned annotations. It achieves this through conflict-aware data filtering, label-noise-aware contrastive training, and hybrid initialization. Notably, EBRM enhances RMs without retraining, making it computationally efficient and adaptable across different models and tasks. Empirical evaluations on RM benchmarks demonstrate significant improvements in both robustness and generalization, achieving up to a 5.97% improvement in safety-critical alignment tasks compared to standard RMs. Furthermore, reinforcement learning experiments confirm that our refined rewards enhance alignment quality, effectively delaying reward hacking. These results demonstrate our approach as a scalable and effective enhancement for existing RMs and alignment pipelines. The code is available at EBRM.

3D Gaussian Splatting (3DGS) has achieved impressive rendering performance in novel view synthesis. However, its efficacy diminishes considerably in sparse image sequences, where inherent data sparsity amplifies geometric uncertainty during optimization. This often leads to convergence at suboptimal local minima, resulting in noticeable structural artifacts in the reconstructed scenes.To mitigate these issues, we propose Uncertainty-aware Normal-Guided Gaussian Splatting (UNG-GS), a novel framework featuring an explicit Spatial Uncertainty Field (SUF) to quantify geometric uncertainty within the 3DGS pipeline. UNG-GS enables high-fidelity rendering and achieves high-precision reconstruction without relying on priors. Specifically, we first integrate Gaussian-based probabilistic modeling into the training of 3DGS to optimize the SUF, providing the model with adaptive error tolerance. An uncertainty-aware depth rendering strategy is then employed to weight depth contributions based on the SUF, effectively reducing noise while preserving fine details. Furthermore, an uncertainty-guided normal refinement method adjusts the influence of neighboring depth values in normal estimation, promoting robust results. Extensive experiments demonstrate that UNG-GS significantly outperforms state-of-the-art methods in both sparse and dense sequences. The code will be open-source.

User prompts for generative AI models are often underspecified, leading to sub-optimal responses. This problem is particularly evident in text-to-image (T2I) generation, where users commonly struggle to articulate their precise intent. This disconnect between the user's vision and the model's interpretation often forces users to painstakingly and repeatedly refine their prompts. To address this, we propose a design for proactive T2I agents equipped with an interface to (1) actively ask clarification questions when uncertain, and (2) present their understanding of user intent as an understandable belief graph that a user can edit. We build simple prototypes for such agents and verify their effectiveness through both human studies and automated evaluation. We observed that at least 90% of human subjects found these agents and their belief graphs helpful for their T2I workflow. Moreover, we develop a scalable automated evaluation approach using two agents, one with a ground truth image and the other tries to ask as few questions as possible to align with the ground truth. On DesignBench, a benchmark we created for artists and designers, the COCO dataset (Lin et al., 2014), and ImageInWords (Garg et al., 2024), we observed that these T2I agents were able to ask informative questions and elicit crucial information to achieve successful alignment with at least 2 times higher VQAScore (Lin et al., 2024) than the standard single-turn T2I generation. Demo: https://github.com/google-deepmind/proactive_t2i_agents.

Recent advancements have integrated camera pose as a user-friendly and physics-informed condition in video diffusion models, enabling precise camera control. In this paper, we identify one of the key challenges as effectively modeling noisy cross-frame interactions to enhance geometry consistency and camera controllability. We innovatively associate the quality of a condition with its ability to reduce uncertainty and interpret noisy cross-frame features as a form of noisy condition. Recognizing that noisy conditions provide deterministic information while also introducing randomness and potential misguidance due to added noise, we propose applying epipolar attention to only aggregate features along corresponding epipolar lines, thereby accessing an optimal amount of noisy conditions. Additionally, we address scenarios where epipolar lines disappear, commonly caused by rapid camera movements, dynamic objects, or occlusions, ensuring robust performance in diverse environments. Furthermore, we develop a more robust and reproducible evaluation pipeline to address the inaccuracies and instabilities of existing camera control metrics. Our method achieves a 25.64% improvement in camera controllability on the RealEstate10K dataset without compromising dynamics or generation quality and demonstrates strong generalization to out-of-domain images. Training and inference require only 24GB and 12GB of memory, respectively, for 16-frame sequences at 256x256 resolution. We will release all checkpoints, along with training and evaluation code. Dynamic videos are best viewed at https://zgctroy.github.io/CamI2V.

Existing methods for uncertainty quantification incur massive memory and compute overhead, often requiring multiple models/inferences. Hence they are impractical on ultra-low-power KB-sized TinyML devices. To reduce overhead, prior works have proposed the use of early-exit networks as ensembles to quantify uncertainty in a single forward-pass. However, they still have a prohibitive cost for tinyML. To address these challenges, we propose QUTE, a novel resource-efficient early-exit-assisted ensemble architecture optimized for tinyML models. QUTE adds additional output blocks at the final exit of the base network and distills the knowledge of early-exits into these blocks to create a diverse and lightweight ensemble architecture. Our results show that QUTE outperforms popular prior works, and improves the quality of uncertainty estimates by 6% with 3.1x lower model size on average compared to the most relevant prior work. Furthermore, we demonstrate that QUTE is also effective in detecting co-variate shifted and out-of-distribution inputs, and shows competitive performance relative to G-ODIN, a state-of-the-art generalized OOD detector.

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based Self-Explainable Neural Networks (PSENNs), whose predictions rely on the similarity between the input at hand and a set of prototypical representations of the output classes, offering therefore a deep, yet transparent-by-design, architecture. So far, such models have been designed by considering pointwise estimates for the prototypes, which remain fixed after the learning phase of the model. In this paper, we introduce a probabilistic reformulation of PSENNs, called Prob-PSENN, which replaces point estimates for the prototypes with probability distributions over their values. This provides not only a more flexible framework for an end-to-end learning of prototypes, but can also capture the explanatory uncertainty of the model, which is a missing feature in previous approaches. In addition, since the prototypes determine both the explanation and the prediction, Prob-PSENNs allow us to detect when the model is making uninformed or uncertain predictions, and to obtain valid explanations for them. Our experiments demonstrate that Prob-PSENNs provide more meaningful and robust explanations than their non-probabilistic counterparts, thus enhancing the explainability and reliability of the models.

Diffusion models have impressive image generation capability, but low-quality generations still exist, and their identification remains challenging due to the lack of a proper sample-wise metric. To address this, we propose BayesDiff, a pixel-wise uncertainty estimator for generations from diffusion models based on Bayesian inference. In particular, we derive a novel uncertainty iteration principle to characterize the uncertainty dynamics in diffusion, and leverage the last-layer Laplace approximation for efficient Bayesian inference. The estimated pixel-wise uncertainty can not only be aggregated into a sample-wise metric to filter out low-fidelity images but also aids in augmenting successful generations and rectifying artifacts in failed generations in text-to-image tasks. Extensive experiments demonstrate the efficacy of BayesDiff and its promise for practical applications.

Predictions made by deep learning models are prone to data perturbations, adversarial attacks, and out-of-distribution inputs. To build a trusted AI system, it is therefore critical to accurately quantify the prediction uncertainties. While current efforts focus on improving uncertainty quantification accuracy and efficiency, there is a need to identify uncertainty sources and take actions to mitigate their effects on predictions. Therefore, we propose to develop explainable and actionable Bayesian deep learning methods to not only perform accurate uncertainty quantification but also explain the uncertainties, identify their sources, and propose strategies to mitigate the uncertainty impacts. Specifically, we introduce a gradient-based uncertainty attribution method to identify the most problematic regions of the input that contribute to the prediction uncertainty. Compared to existing methods, the proposed UA-Backprop has competitive accuracy, relaxed assumptions, and high efficiency. Moreover, we propose an uncertainty mitigation strategy that leverages the attribution results as attention to further improve the model performance. Both qualitative and quantitative evaluations are conducted to demonstrate the effectiveness of our proposed methods.

We propose a simple, efficient, yet powerful framework for dense visual predictions based on the conditional diffusion pipeline. Our approach follows a "noise-to-map" generative paradigm for prediction by progressively removing noise from a random Gaussian distribution, guided by the image. The method, called DDP, efficiently extends the denoising diffusion process into the modern perception pipeline. Without task-specific design and architecture customization, DDP is easy to generalize to most dense prediction tasks, e.g., semantic segmentation and depth estimation. In addition, DDP shows attractive properties such as dynamic inference and uncertainty awareness, in contrast to previous single-step discriminative methods. We show top results on three representative tasks with six diverse benchmarks, without tricks, DDP achieves state-of-the-art or competitive performance on each task compared to the specialist counterparts. For example, semantic segmentation (83.9 mIoU on Cityscapes), BEV map segmentation (70.6 mIoU on nuScenes), and depth estimation (0.05 REL on KITTI). We hope that our approach will serve as a solid baseline and facilitate future research

We investigate composed image retrieval with text feedback. Users gradually look for the target of interest by moving from coarse to fine-grained feedback. However, existing methods merely focus on the latter, i.e., fine-grained search, by harnessing positive and negative pairs during training. This pair-based paradigm only considers the one-to-one distance between a pair of specific points, which is not aligned with the one-to-many coarse-grained retrieval process and compromises the recall rate. In an attempt to fill this gap, we introduce a unified learning approach to simultaneously modeling the coarse- and fine-grained retrieval by considering the multi-grained uncertainty. The key idea underpinning the proposed method is to integrate fine- and coarse-grained retrieval as matching data points with small and large fluctuations, respectively. Specifically, our method contains two modules: uncertainty modeling and uncertainty regularization. (1) The uncertainty modeling simulates the multi-grained queries by introducing identically distributed fluctuations in the feature space. (2) Based on the uncertainty modeling, we further introduce uncertainty regularization to adapt the matching objective according to the fluctuation range. Compared with existing methods, the proposed strategy explicitly prevents the model from pushing away potential candidates in the early stage, and thus improves the recall rate. On the three public datasets, i.e., FashionIQ, Fashion200k, and Shoes, the proposed method has achieved +4.03%, +3.38%, and +2.40% Recall@50 accuracy over a strong baseline, respectively.

Deep learning models achieve state-of-the art results in predicting blood glucose trajectories, with a wide range of architectures being proposed. However, the adaptation of such models in clinical practice is slow, largely due to the lack of uncertainty quantification of provided predictions. In this work, we propose to model the future glucose trajectory conditioned on the past as an infinite mixture of basis distributions (i.e., Gaussian, Laplace, etc.). This change allows us to learn the uncertainty and predict more accurately in the cases when the trajectory has a heterogeneous or multi-modal distribution. To estimate the parameters of the predictive distribution, we utilize the Transformer architecture. We empirically demonstrate the superiority of our method over existing state-of-the-art techniques both in terms of accuracy and uncertainty on the synthetic and benchmark glucose data sets.

Uncertainty estimation is critical for cost-sensitive deep-learning applications (i.e. disease diagnosis). It is very challenging partly due to the inaccessibility of uncertainty groundtruth in most datasets. Previous works proposed to estimate the uncertainty from softmax calibration, Monte Carlo sampling, subjective logic and so on. However, these existing methods tend to be over-confident about their predictions with unreasonably low overall uncertainty, which originates from the imbalance between positive (correct classifications) and negative (incorrect classifications) samples. For this issue, we firstly propose the distributional imbalance to model the imbalance in uncertainty estimation as two kinds of distribution biases, and secondly propose Balanced True Class Probability (BTCP) framework, which learns an uncertainty estimator with a novel Distributional Focal Loss (DFL) objective. Finally, we evaluate the BTCP in terms of failure prediction and out-of-distribution (OOD) detection on multiple datasets. The experimental results show that BTCP outperforms other uncertainty estimation methods especially in identifying incorrect classifications.

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.

When deploying machine learning models in high-stakes real-world environments such as health care, it is crucial to accurately assess the uncertainty concerning a model's prediction on abnormal inputs. However, there is a scarcity of literature analyzing this problem on medical data, especially on mixed-type tabular data such as Electronic Health Records. We close this gap by presenting a series of tests including a large variety of contemporary uncertainty estimation techniques, in order to determine whether they are able to identify out-of-distribution (OOD) patients. In contrast to previous work, we design tests on realistic and clinically relevant OOD groups, and run experiments on real-world medical data. We find that almost all techniques fail to achieve convincing results, partly disagreeing with earlier findings.

Polygon meshes are an efficient representation of 3D geometry, and are of central importance in computer graphics, robotics and games development. Existing learning-based approaches have avoided the challenges of working with 3D meshes, instead using alternative object representations that are more compatible with neural architectures and training approaches. We present an approach which models the mesh directly, predicting mesh vertices and faces sequentially using a Transformer-based architecture. Our model can condition on a range of inputs, including object classes, voxels, and images, and because the model is probabilistic it can produce samples that capture uncertainty in ambiguous scenarios. We show that the model is capable of producing high-quality, usable meshes, and establish log-likelihood benchmarks for the mesh-modelling task. We also evaluate the conditional models on surface reconstruction metrics against alternative methods, and demonstrate competitive performance despite not training directly on this task.

Large language models (LLMs) are increasingly used across society, including in domains like business, engineering, and medicine. These fields often grapple with decision-making under uncertainty, a critical yet challenging task. In this paper, we show that directly prompting LLMs on these types of decision-making problems yields poor results, especially as the problem complexity increases. To overcome this limitation, we propose DeLLMa (Decision-making Large Language Model assistant), a framework designed to enhance decision-making accuracy in uncertain environments. DeLLMa involves a multi-step scaffolding procedure, drawing upon principles from decision theory and utility theory, to provide an optimal and human-auditable decision-making process. We validate our framework on decision-making environments involving real agriculture and finance data. Our results show that DeLLMa can significantly improve LLM decision-making performance, achieving up to a 40% increase in accuracy over competing methods.

This paper investigates the capabilities of Large Language Models (LLMs) in the context of understanding their own knowledge and measuring their uncertainty. We argue this is an important feature for mitigating hallucinations. Specifically, we focus on addressing known-unknown questions, characterized by high uncertainty due to the absence of definitive answers. To facilitate our study, we collect a dataset with new Known-Unknown Questions (KUQ) and propose a novel categorization scheme to elucidate the sources of uncertainty. Subsequently, we assess the LLMs' ability to differentiate between known and unknown questions and classify them accordingly. Moreover, we evaluate the quality of their answers in an Open-Ended QA setting. To quantify the uncertainty expressed in the answers, we create a semantic evaluation method that measures the model's accuracy in expressing uncertainty between known vs unknown questions.

Provably efficient Model-Based Reinforcement Learning (MBRL) based on optimism or posterior sampling (PSRL) is ensured to attain the global optimality asymptotically by introducing the complexity measure of the model. However, the complexity might grow exponentially for the simplest nonlinear models, where global convergence is impossible within finite iterations. When the model suffers a large generalization error, which is quantitatively measured by the model complexity, the uncertainty can be large. The sampled model that current policy is greedily optimized upon will thus be unsettled, resulting in aggressive policy updates and over-exploration. In this work, we propose Conservative Dual Policy Optimization (CDPO) that involves a Referential Update and a Conservative Update. The policy is first optimized under a reference model, which imitates the mechanism of PSRL while offering more stability. A conservative range of randomness is guaranteed by maximizing the expectation of model value. Without harmful sampling procedures, CDPO can still achieve the same regret as PSRL. More importantly, CDPO enjoys monotonic policy improvement and global optimality simultaneously. Empirical results also validate the exploration efficiency of CDPO.

Mixture-of-Experts (MoE) has been demonstrated as an efficient method to scale up models. By dynamically and sparsely selecting activated experts, MoE can effectively reduce computational costs. Despite the success, we observe that many tokens in the MoE models have uncertain routing results. These tokens have nearly equal scores for choosing each expert, and we demonstrate that this uncertainty can lead to incorrect selections. Inspired by the Global Workspace Theory (GWT), we propose a new fine-tuning method, GW-MoE, to address this issue. The core idea is to broadcast the uncertain tokens across experts during fine-tuning. Therefore, these tokens can acquire the necessary knowledge from any expert during inference and become less sensitive to the choice. GW-MoE does not introduce additional inference overhead. We validate that GW can mitigate the uncertain problem and consistently improve in different tasks (text classification, question answering, summarization, code generation, and mathematical problem solving) and model sizes (650M and 8B parameters).

The proliferation of open-source Large Language Models (LLMs) from various institutions has highlighted the urgent need for comprehensive evaluation methods. However, current evaluation platforms, such as the widely recognized HuggingFace open LLM leaderboard, neglect a crucial aspect -- uncertainty, which is vital for thoroughly assessing LLMs. To bridge this gap, we introduce a new benchmarking approach for LLMs that integrates uncertainty quantification. Our examination involves eight LLMs (LLM series) spanning five representative natural language processing tasks. Additionally, we introduce an uncertainty-aware evaluation metric, UAcc, which takes into account both prediction accuracy and prediction uncertainty. Our findings reveal that: I) LLMs with higher accuracy may exhibit lower certainty; II) Larger-scale LLMs may display greater uncertainty compared to their smaller counterparts; and III) Instruction-finetuning tends to increase the uncertainty of LLMs. By taking uncertainty into account, our new UAcc metric can either amplify or diminish the relative improvement of one LLM over another and may even change the relative ranking of two LLMs. These results underscore the significance of incorporating uncertainty in the evaluation of LLMs.

Offline preference optimization methods are efficient for large language models (LLMs) alignment. Direct Preference optimization (DPO)-like learning, one of the most popular approaches, stands out for its efficiency in reward modeling. However, these methods typically follow the convention to use Bradley-Terry (BT) reward modeling that faces several critical assumptions, including the requirement for pairwise training data, model distribution shifting, human rationality assumption, etc. To address these limitations, we propose a general framework for offline preference optimization methods, Adaptive Preference Optimization with Utility Anchor (UAPO), which introduces an anchoring function to estimate the uncertainties brought from preference data annotation. Our method enables training even in scenarios where the data is unpaired, significantly enhancing data utilization efficiency. Moreover, the anchor design makes UAPO more robust in the training process. Experimental results demonstrate that UAPO achieves competitive outcomes without the strict dependency on data pairing, paving the way for more flexible and effective preference optimization methods.

The rapid expansion of medical literature presents growing challenges for structuring and integrating domain knowledge at scale. Knowledge Graphs (KGs) offer a promising solution by enabling efficient retrieval, automated reasoning, and knowledge discovery. However, current KG construction methods often rely on supervised pipelines with limited generalizability or naively aggregate outputs from Large Language Models (LLMs), treating biomedical corpora as static and ignoring the temporal dynamics and contextual uncertainty of evolving knowledge. To address these limitations, we introduce MedKGent, a LLM agent framework for constructing temporally evolving medical KGs. Leveraging over 10 million PubMed abstracts published between 1975 and 2023, we simulate the emergence of biomedical knowledge via a fine-grained daily time series. MedKGent incrementally builds the KG in a day-by-day manner using two specialized agents powered by the Qwen2.5-32B-Instruct model. The Extractor Agent identifies knowledge triples and assigns confidence scores via sampling-based estimation, which are used to filter low-confidence extractions and inform downstream processing. The Constructor Agent incrementally integrates the retained triples into a temporally evolving graph, guided by confidence scores and timestamps to reinforce recurring knowledge and resolve conflicts. The resulting KG contains 156,275 entities and 2,971,384 relational triples. Quality assessments by two SOTA LLMs and three domain experts demonstrate an accuracy approaching 90%, with strong inter-rater agreement. To evaluate downstream utility, we conduct RAG across seven medical question answering benchmarks using five leading LLMs, consistently observing significant improvements over non-augmented baselines. Case studies further demonstrate the KG's value in literature-based drug repurposing via confidence-aware causal inference.

Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ). Existing UQ methods are often heuristic and lack a probabilistic foundation. This paper begins by providing a theoretical justification for the role of perturbations in UQ for LLMs. We then introduce a dual random walk perspective, modeling input-output pairs as two Markov chains with transition probabilities defined by semantic similarity. Building on this, we propose a fully probabilistic framework based on an inverse model, which quantifies uncertainty by evaluating the diversity of the input space conditioned on a given output through systematic perturbations. Within this framework, we define a new uncertainty measure, Inv-Entropy. A key strength of our framework is its flexibility: it supports various definitions of uncertainty measures, embeddings, perturbation strategies, and similarity metrics. We also propose GAAP, a perturbation algorithm based on genetic algorithms, which enhances the diversity of sampled inputs. In addition, we introduce a new evaluation metric, Temperature Sensitivity of Uncertainty (TSU), which directly assesses uncertainty without relying on correctness as a proxy. Extensive experiments demonstrate that Inv-Entropy outperforms existing semantic UQ methods. The code to reproduce the results can be found at https://github.com/UMDataScienceLab/Uncertainty-Quantification-for-LLMs.

The lack of a large-scale 3D-text corpus has led recent works to distill open-vocabulary knowledge from vision-language models (VLMs). However, these methods typically rely on a single VLM to align the feature spaces of 3D models within a common language space, which limits the potential of 3D models to leverage the diverse spatial and semantic capabilities encapsulated in various foundation models. In this paper, we propose Cross-modal and Uncertainty-aware Agglomeration for Open-vocabulary 3D Scene Understanding dubbed CUA-O3D, the first model to integrate multiple foundation models-such as CLIP, DINOv2, and Stable Diffusion-into 3D scene understanding. We further introduce a deterministic uncertainty estimation to adaptively distill and harmonize the heterogeneous 2D feature embeddings from these models. Our method addresses two key challenges: (1) incorporating semantic priors from VLMs alongside the geometric knowledge of spatially-aware vision foundation models, and (2) using a novel deterministic uncertainty estimation to capture model-specific uncertainties across diverse semantic and geometric sensitivities, helping to reconcile heterogeneous representations during training. Extensive experiments on ScanNetV2 and Matterport3D demonstrate that our method not only advances open-vocabulary segmentation but also achieves robust cross-domain alignment and competitive spatial perception capabilities. The code will be available at: https://github.com/TyroneLi/CUA_O3D.

Recent JWST observations with NIRCam and MIRI of the ultra-short-period super-Earth 55 Cancri e indicate a possible volatile atmosphere surrounding the planet. Previous analysis of the NIRCam spectra suggested potential absorption features from CO2 or CO and significant sub-weekly variability. The MIRI low-resolution spectrum does not contain substantial features but was found to be consistent with effective heat redistribution models. In this work, we computed a grid of over 25000 self-consistent 1D forward models incorporating H-N-O-C-S-P-Si-Ti equilibrium chemistry and assessed plausible atmospheric compositions based on the current JWST data. Despite exhaustive analysis, the composition and properties of the atmosphere remain elusive. While our results statistically favour a global, hydrogen-free, nitrogen-dominated atmosphere enriched in PO and CO2, various alternative compositions, including H2O-,CO-, PH3-, or Si-bearing remain viable explanations. Unconstrained heat redistribution efficiency and absolute NIRCam flux are among the largest sources of uncertainty in our analysis. We also find that the heat redistribution factor and surface pressure are highly degenerate with atmospheric composition, and that these parameters cannot be independently constrained using current JWST observations. Furthermore, we show that the observed variability may arise from dynamic interactions between the atmosphere and an underlying magma ocean, driving rapid shifts in atmospheric chemistry and thermal emission. Our results highlight the importance of using self-consistent forward models when analysing novel JWST spectra with limited signal-to-noise ratios -- such as those of 55 Cancri e -- as it allows for a more comprehensive evaluation of potential atmospheric scenarios while also being less sensitive to subtle spectral differences than retrievals...

In this work, we explore uncertainty estimation as a proxy for correctness in LLM-generated code. To this end, we adapt two state-of-the-art techniques from natural language generation -- one based on entropy and another on mutual information -- to the domain of code generation. Given the distinct semantic properties of code, we introduce modifications, including a semantic equivalence check based on symbolic execution. Our findings indicate a strong correlation between the uncertainty computed through these techniques and correctness, highlighting the potential of uncertainty estimation for quality assessment. Additionally, we propose a simplified version of the entropy-based method that assumes a uniform distribution over the LLM's responses, demonstrating comparable effectiveness. Using these techniques, we develop an abstention policy that prevents the model from making predictions when uncertainty is high, reducing incorrect outputs to near zero. Our evaluation on the LiveCodeBench shows that our approach significantly outperforms a baseline relying solely on LLM-reported log-probabilities.

Limited by the encoder-decoder architecture, learning-based edge detectors usually have difficulty predicting edge maps that satisfy both correctness and crispness. With the recent success of the diffusion probabilistic model (DPM), we found it is especially suitable for accurate and crisp edge detection since the denoising process is directly applied to the original image size. Therefore, we propose the first diffusion model for the task of general edge detection, which we call DiffusionEdge. To avoid expensive computational resources while retaining the final performance, we apply DPM in the latent space and enable the classic cross-entropy loss which is uncertainty-aware in pixel level to directly optimize the parameters in latent space in a distillation manner. We also adopt a decoupled architecture to speed up the denoising process and propose a corresponding adaptive Fourier filter to adjust the latent features of specific frequencies. With all the technical designs, DiffusionEdge can be stably trained with limited resources, predicting crisp and accurate edge maps with much fewer augmentation strategies. Extensive experiments on four edge detection benchmarks demonstrate the superiority of DiffusionEdge both in correctness and crispness. On the NYUDv2 dataset, compared to the second best, we increase the ODS, OIS (without post-processing) and AC by 30.2%, 28.1% and 65.1%, respectively. Code: https://github.com/GuHuangAI/DiffusionEdge.

Skillful subseasonal forecasts are crucial for various sectors of society but pose a grand scientific challenge. Recently, machine learning based weather forecasting models outperform the most successful numerical weather predictions generated by the European Centre for Medium-Range Weather Forecasts (ECMWF), but have not yet surpassed conventional models at subseasonal timescales. This paper introduces FuXi Subseasonal-to-Seasonal (FuXi-S2S), a machine learning model that provides global daily mean forecasts up to 42 days, encompassing five upper-air atmospheric variables at 13 pressure levels and 11 surface variables. FuXi-S2S, trained on 72 years of daily statistics from ECMWF ERA5 reanalysis data, outperforms the ECMWF's state-of-the-art Subseasonal-to-Seasonal model in ensemble mean and ensemble forecasts for total precipitation and outgoing longwave radiation, notably enhancing global precipitation forecast. The improved performance of FuXi-S2S can be primarily attributed to its superior capability to capture forecast uncertainty and accurately predict the Madden-Julian Oscillation (MJO), extending the skillful MJO prediction from 30 days to 36 days. Moreover, FuXi-S2S not only captures realistic teleconnections associated with the MJO, but also emerges as a valuable tool for discovering precursor signals, offering researchers insights and potentially establishing a new paradigm in Earth system science research.

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations, offering a lower computational cost and higher accuracy. Yet, those approaches still suffer from a lack of generalization and extrapolation beyond the training data, which is however critical to projecting climate change or unobserved regimes of turbulence. Here we show that a multi-fidelity approach, which integrates datasets of different accuracy and abundance, can provide the best of both worlds: the capacity to extrapolate leveraging the physically-based parameterization and a higher accuracy using the machine-learning-based parameterizations. In an application to climate modeling, the multi-fidelity framework yields more accurate climate projections without requiring major increase in computational resources. Our multi-fidelity randomized prior networks (MF-RPNs) combine physical parameterization data as low-fidelity and storm-resolving historical run's data as high-fidelity. To extrapolate beyond the training data, the MF-RPNs are tested on high-fidelity warming scenarios, +4K, data. We show the MF-RPN's capacity to return much more skillful predictions compared to either low- or high-fidelity (historical data) simulations trained only on one regime while providing trustworthy uncertainty quantification across a wide range of scenarios. Our approach paves the way for the use of machine-learning based methods that can optimally leverage historical observations or high-fidelity simulations and extrapolate to unseen regimes such as climate change.

We consider the problem of video snapshot compressive imaging (SCI), where sequential high-speed frames are modulated by different masks and captured by a single measurement. The underlying principle of reconstructing multi-frame images from only one single measurement is to solve an ill-posed problem. By combining optimization algorithms and neural networks, deep unfolding networks (DUNs) score tremendous achievements in solving inverse problems. In this paper, our proposed model is under the DUN framework and we propose a 3D Convolution-Transformer Mixture (CTM) module with a 3D efficient and scalable attention model plugged in, which helps fully learn the correlation between temporal and spatial dimensions by virtue of Transformer. To our best knowledge, this is the first time that Transformer is employed to video SCI reconstruction. Besides, to further investigate the high-frequency information during the reconstruction process which are neglected in previous studies, we introduce variance estimation characterizing the uncertainty on a pixel-by-pixel basis. Extensive experimental results demonstrate that our proposed method achieves state-of-the-art (SOTA) (with a 1.2dB gain in PSNR over previous SOTA algorithm) results. We will release the code.

Large Language Models (LLMs) have the impressive ability to perform in-context learning (ICL) from only a few examples, but the success of ICL varies widely from task to task. Thus, it is important to quickly determine whether ICL is applicable to a new task, but directly evaluating ICL accuracy can be expensive in situations where test data is expensive to annotate -- the exact situations where ICL is most appealing. In this paper, we propose the task of ICL accuracy estimation, in which we predict the accuracy of an LLM when doing in-context learning on a new task given only unlabeled test data for that task. To perform ICL accuracy estimation, we propose a method that trains a meta-model using LLM confidence scores as features. We compare our method to several strong accuracy estimation baselines on a new benchmark that covers 4 LLMs and 3 task collections. The meta-model improves over all baselines across 8 out of 12 settings and achieves the same estimation performance as directly evaluating on 40 collected labeled test examples per task. At the same time, no existing approach provides an accurate and reliable ICL accuracy estimation in every setting, highlighting the need for better ways to measure the uncertainty of LLM predictions.

Ensuring reliable confidence scores from deep networks is of pivotal importance in critical decision-making systems, notably in the medical domain. While recent literature on calibrating deep segmentation networks has led to significant progress, their uncertainty is usually modeled by leveraging the information of individual pixels, which disregards the local structure of the object of interest. In particular, only the recent Spatially Varying Label Smoothing (SVLS) approach addresses this issue by softening the pixel label assignments with a discrete spatial Gaussian kernel. In this work, we first present a constrained optimization perspective of SVLS and demonstrate that it enforces an implicit constraint on soft class proportions of surrounding pixels. Furthermore, our analysis shows that SVLS lacks a mechanism to balance the contribution of the constraint with the primary objective, potentially hindering the optimization process. Based on these observations, we propose a principled and simple solution based on equality constraints on the logit values, which enables to control explicitly both the enforced constraint and the weight of the penalty, offering more flexibility. Comprehensive experiments on a variety of well-known segmentation benchmarks demonstrate the superior performance of the proposed approach.

Despite increasingly fluent, relevant, and coherent language generation, major gaps remain between how humans and machines use language. We argue that a key dimension that is missing from our understanding of language models (LMs) is the model's ability to interpret and generate expressions of uncertainty. Whether it be the weatherperson announcing a chance of rain or a doctor giving a diagnosis, information is often not black-and-white and expressions of uncertainty provide nuance to support human-decision making. The increasing deployment of LMs in the wild motivates us to investigate whether LMs are capable of interpreting expressions of uncertainty and how LMs' behaviors change when learning to emit their own expressions of uncertainty. When injecting expressions of uncertainty into prompts (e.g., "I think the answer is..."), we discover that GPT3's generations vary upwards of 80% in accuracy based on the expression used. We analyze the linguistic characteristics of these expressions and find a drop in accuracy when naturalistic expressions of certainty are present. We find similar effects when teaching models to emit their own expressions of uncertainty, where model calibration suffers when teaching models to emit certainty rather than uncertainty. Together, these results highlight the challenges of building LMs that interpret and generate trustworthy expressions of uncertainty.

Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions, important questions remain on the reliability and trustworthiness of these sampling procedures for their responsible use in critical scenarios. Conformal prediction is a modern tool to construct finite-sample, distribution-free uncertainty guarantees for any black-box predictor. In this work, we focus on image-to-image regression tasks and we present a generalization of the Risk-Controlling Prediction Sets (RCPS) procedure, that we term K-RCPS, which allows to (i) provide entrywise calibrated intervals for future samples of any diffusion model, and (ii) control a certain notion of risk with respect to a ground truth image with minimal mean interval length. Differently from existing conformal risk control procedures, ours relies on a novel convex optimization approach that allows for multidimensional risk control while provably minimizing the mean interval length. We illustrate our approach on two real-world image denoising problems: on natural images of faces as well as on computed tomography (CT) scans of the abdomen, demonstrating state of the art performance.

Limited-Angle Computed Tomography (LACT) is a non-destructive evaluation technique used in a variety of applications ranging from security to medicine. The limited angle coverage in LACT is often a dominant source of severe artifacts in the reconstructed images, making it a challenging inverse problem. We present DOLCE, a new deep model-based framework for LACT that uses a conditional diffusion model as an image prior. Diffusion models are a recent class of deep generative models that are relatively easy to train due to their implementation as image denoisers. DOLCE can form high-quality images from severely under-sampled data by integrating data-consistency updates with the sampling updates of a diffusion model, which is conditioned on the transformed limited-angle data. We show through extensive experimentation on several challenging real LACT datasets that, the same pre-trained DOLCE model achieves the SOTA performance on drastically different types of images. Additionally, we show that, unlike standard LACT reconstruction methods, DOLCE naturally enables the quantification of the reconstruction uncertainty by generating multiple samples consistent with the measured data.

High-quality calibrated uncertainty estimates are crucial for numerous real-world applications, especially for deep learning-based deployed ML systems. While Bayesian deep learning techniques allow uncertainty estimation, training them with large-scale datasets is an expensive process that does not always yield models competitive with non-Bayesian counterparts. Moreover, many of the high-performing deep learning models that are already trained and deployed are non-Bayesian in nature and do not provide uncertainty estimates. To address these issues, we propose BayesCap that learns a Bayesian identity mapping for the frozen model, allowing uncertainty estimation. BayesCap is a memory-efficient method that can be trained on a small fraction of the original dataset, enhancing pretrained non-Bayesian computer vision models by providing calibrated uncertainty estimates for the predictions without (i) hampering the performance of the model and (ii) the need for expensive retraining the model from scratch. The proposed method is agnostic to various architectures and tasks. We show the efficacy of our method on a wide variety of tasks with a diverse set of architectures, including image super-resolution, deblurring, inpainting, and crucial application such as medical image translation. Moreover, we apply the derived uncertainty estimates to detect out-of-distribution samples in critical scenarios like depth estimation in autonomous driving. Code is available at https://github.com/ExplainableML/BayesCap.

Adverse weather image translation belongs to the unsupervised image-to-image (I2I) translation task which aims to transfer adverse condition domain (eg, rainy night) to standard domain (eg, day). It is a challenging task because images from adverse domains have some artifacts and insufficient information. Recently, many studies employing Generative Adversarial Networks (GANs) have achieved notable success in I2I translation but there are still limitations in applying them to adverse weather enhancement. Symmetric architecture based on bidirectional cycle-consistency loss is adopted as a standard framework for unsupervised domain transfer methods. However, it can lead to inferior translation result if the two domains have imbalanced information. To address this issue, we propose a novel GAN model, i.e., AU-GAN, which has an asymmetric architecture for adverse domain translation. We insert a proposed feature transfer network ({T}-net) in only a normal domain generator (i.e., rainy night-> day) to enhance encoded features of the adverse domain image. In addition, we introduce asymmetric feature matching for disentanglement of encoded features. Finally, we propose uncertainty-aware cycle-consistency loss to address the regional uncertainty of a cyclic reconstructed image. We demonstrate the effectiveness of our method by qualitative and quantitative comparisons with state-of-the-art models. Codes are available at https://github.com/jgkwak95/AU-GAN.

A crucial requirement for reliable deployment of deep learning models for safety-critical applications is the ability to identify out-of-distribution (OOD) data points, samples which differ from the training data and on which a model might underperform. Previous work has attempted to tackle this problem using uncertainty estimation techniques. However, there is empirical evidence that a large family of these techniques do not detect OOD reliably in classification tasks. This paper gives a theoretical explanation for said experimental findings and illustrates it on synthetic data. We prove that such techniques are not able to reliably identify OOD samples in a classification setting, since their level of confidence is generalized to unseen areas of the feature space. This result stems from the interplay between the representation of ReLU networks as piece-wise affine transformations, the saturating nature of activation functions like softmax, and the most widely-used uncertainty metrics.