Daily Papers

Automata learning is a popular technique used to automatically construct an automaton model from queries. Much research went into devising ad hoc adaptations of algorithms for different types of automata. The CALF project seeks to unify these using category theory in order to ease correctness proofs and guide the design of new algorithms. In this paper, we extend CALF to cover learning of algebraic structures that may not have a coalgebraic presentation. Furthermore, we provide a detailed algorithmic account of an abstract version of the popular L* algorithm, which was missing from CALF. We instantiate the abstract theory to a large class of Set functors, by which we recover for the first time practical tree automata learning algorithms from an abstract framework and at the same time obtain new algorithms to learn algebras of quotiented polynomial functors.

JSON Schema is an important, evolving standard schema language for families of JSON documents. It is based on a complex combination of structural and Boolean assertions, and features negation and recursion. The static analysis of JSON Schema documents comprises practically relevant problems, including schema satisfiability, inclusion, and equivalence. These three problems can be reduced to witness generation: given a schema, generate an element of the schema, if it exists, and report failure otherwise. Schema satisfiability, inclusion, and equivalence have been shown to be decidable, by reduction to reachability in alternating tree automata. However, no witness generation algorithm has yet been formally described. We contribute a first, direct algorithm for JSON Schema witness generation. We study its effectiveness and efficiency, in experiments over several schema collections, including thousands of real-world schemas. Our focus is on the completeness of the language, where we only exclude the uniqueItems operator, and on the ability of the algorithm to run in a reasonable time on a large set of real-world examples, despite the exponential complexity of the underlying problem.

The class of tree-adjoining languages can be characterized by various two-level formalisms, consisting of a context-free grammar (CFG) or pushdown automaton (PDA) controlling another CFG or PDA. These four formalisms are equivalent to tree-adjoining grammars (TAG), linear indexed grammars (LIG), pushdown-adjoining automata (PAA), and embedded pushdown automata (EPDA). We define semiring-weighted versions of the above two-level formalisms, and we design new algorithms for computing their stringsums (the weight of all derivations of a string) and allsums (the weight of all derivations). From these, we also immediately obtain stringsum and allsum algorithms for TAG, LIG, PAA, and EPDA. For LIG, our algorithm is more time-efficient by a factor of O(n|N|) (where n is the string length and |N| is the size of the nonterminal set) and more space-efficient by a factor of O(|Gamma|) (where |Gamma| is the size of the stack alphabet) than the algorithm of Vijay-Shanker and Weir (1989). For EPDA, our algorithm is both more space-efficient and time-efficient than the algorithm of Alonso et al. (2001) by factors of O(|Gamma|^2) and O(|Gamma|^3), respectively. Finally, we give the first PAA stringsum and allsum algorithms.

Many graph algorithms can be viewed as sets of rules that are iteratively applied, with the number of iterations dependent on the size and complexity of the input graph. Existing machine learning architectures often struggle to represent these algorithmic decisions as discrete state transitions. Therefore, we propose a novel framework: GraphFSA (Graph Finite State Automaton). GraphFSA is designed to learn a finite state automaton that runs on each node of a given graph. We test GraphFSA on cellular automata problems, showcasing its abilities in a straightforward algorithmic setting. For a comprehensive empirical evaluation of our framework, we create a diverse range of synthetic problems. As our main application, we then focus on learning more elaborate graph algorithms. Our findings suggest that GraphFSA exhibits strong generalization and extrapolation abilities, presenting an alternative approach to represent these algorithms.

We show that transformer-based large language models are computationally universal when augmented with an external memory. Any deterministic language model that conditions on strings of bounded length is equivalent to a finite automaton, hence computationally limited. However, augmenting such models with a read-write memory creates the possibility of processing arbitrarily large inputs and, potentially, simulating any algorithm. We establish that an existing large language model, Flan-U-PaLM 540B, can be combined with an associative read-write memory to exactly simulate the execution of a universal Turing machine, U_{15,2}. A key aspect of the finding is that it does not require any modification of the language model weights. Instead, the construction relies solely on designing a form of stored instruction computer that can subsequently be programmed with a specific set of prompts.

Prompting language models (LMs) is the main interface for applying them to new tasks. However, for smaller LMs, prompting provides low accuracy compared to gradient-based finetuning. Tree Prompting is an approach to prompting which builds a decision tree of prompts, linking multiple LM calls together to solve a task. At inference time, each call to the LM is determined by efficiently routing the outcome of the previous call using the tree. Experiments on classification datasets show that Tree Prompting improves accuracy over competing methods and is competitive with fine-tuning. We also show that variants of Tree Prompting allow inspection of a model's decision-making process.

Autoregressive language models demonstrate excellent performance in various scenarios. However, the inference efficiency is limited by its one-step-one-word generation mode, which has become a pressing problem recently as the models become increasingly larger. Speculative decoding employs a "draft and then verify" mechanism to allow multiple tokens to be generated in one step, realizing lossless acceleration. Existing methods mainly adopt fixed heuristic draft structures, which fail to adapt to different situations to maximize the acceptance length during verification. To alleviate this dilemma, we proposed OPT-Tree, an algorithm to construct adaptive and scalable draft trees. It searches the optimal tree structure that maximizes the mathematical expectation of the acceptance length in each decoding step. Experimental results reveal that OPT-Tree outperforms the existing draft structures and achieves a speed-up ratio of up to 3.2 compared with autoregressive decoding. If the draft model is powerful enough and the node budget is sufficient, it can generate more than ten tokens in a single step. Our code is available at https://github.com/Jikai0Wang/OPT-Tree.

This paper studies close-loop task planning, which refers to the process of generating a sequence of skills (a plan) to accomplish a specific goal while adapting the plan based on real-time observations. Recently, prompting Large Language Models (LLMs) to generate actions iteratively has become a prevalent paradigm due to its superior performance and user-friendliness. However, this paradigm is plagued by two inefficiencies: high token consumption and redundant error correction, both of which hinder its scalability for large-scale testing and applications. To address these issues, we propose Tree-Planner, which reframes task planning with LLMs into three distinct phases: plan sampling, action tree construction, and grounded deciding. Tree-Planner starts by using an LLM to sample a set of potential plans before execution, followed by the aggregation of them to form an action tree. Finally, the LLM performs a top-down decision-making process on the tree, taking into account real-time environmental information. Experiments show that Tree-Planner achieves state-of-the-art performance while maintaining high efficiency. By decomposing LLM queries into a single plan-sampling call and multiple grounded-deciding calls, a considerable part of the prompt are less likely to be repeatedly consumed. As a result, token consumption is reduced by 92.2% compared to the previously best-performing model. Additionally, by enabling backtracking on the action tree as needed, the correction process becomes more flexible, leading to a 40.5% decrease in error corrections. Project page: https://tree-planner.github.io/

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

We introduce the AutoGRAMS framework for programming multi-step interactions with language models. AutoGRAMS represents AI agents as a graph, where each node can execute either a language modeling instruction or traditional code. Likewise, transitions in the graph can be governed by either language modeling decisions or traditional branch logic. AutoGRAMS supports using variables as memory and allows nodes to call other AutoGRAMS graphs as functions. We show how AutoGRAMS can be used to design highly sophisticated agents, including self-referential agents that can modify their own graph. AutoGRAMS's graph-centric approach aids interpretability, controllability, and safety during the design, development, and deployment of AI agents. We provide our framework as open source at https://github.com/autograms/autograms .

Autonomous agents powered by language models (LMs) have demonstrated promise in their ability to perform decision-making tasks such as web automation. However, a key limitation remains: LMs, primarily optimized for natural language understanding and generation, struggle with multi-step reasoning, planning, and using environmental feedback when attempting to solve realistic computer tasks. Towards addressing this, we propose an inference-time search algorithm for LM agents to explicitly perform exploration and multi-step planning in interactive web environments. Our approach is a form of best-first tree search that operates within the actual environment space, and is complementary with most existing state-of-the-art agents. It is the first tree search algorithm for LM agents that shows effectiveness on realistic web tasks. On the challenging VisualWebArena benchmark, applying our search algorithm on top of a GPT-4o agent yields a 39.7% relative increase in success rate compared to the same baseline without search, setting a state-of-the-art success rate of 26.4%. On WebArena, search also yields a 28.0% relative improvement over a baseline agent, setting a competitive success rate of 19.2%. Our experiments highlight the effectiveness of search for web agents, and we demonstrate that performance scales with increased test-time compute. We conduct a thorough analysis of our results to highlight improvements from search, limitations, and promising directions for future work. Our code and models are publicly released at https://jykoh.com/search-agents.

Competition-level code generation tasks pose significant challenges for current state-of-the-art large language models (LLMs). For example, on the LiveCodeBench-Hard dataset, models such as O1-Mini and O1-Preview achieve pass@1 rates of only 0.366 and 0.143, respectively. While tree search techniques have proven effective in domains like mathematics and general coding, their potential in competition-level code generation remains under-explored. In this work, we propose a novel token-level tree search method specifically designed for code generation. Leveraging Qwen2.5-Coder-32B-Instruct, our approach achieves a pass rate of 0.305 on LiveCodeBench-Hard, surpassing the pass@100 performance of GPT4o-0513 (0.245). Furthermore, by integrating Chain-of-Thought (CoT) prompting, we improve our method's performance to 0.351, approaching O1-Mini's pass@1 rate. To ensure reproducibility, we report the average number of generations required per problem by our tree search method on the test set. Our findings underscore the potential of tree search to significantly enhance performance on competition-level code generation tasks. This opens up new possibilities for large-scale synthesis of challenging code problems supervised fine-tuning (SFT) data, advancing competition-level code generation tasks.

Recently, test-time scaling has garnered significant attention from the research community, largely due to the substantial advancements of the o1 model released by OpenAI. By allocating more computational resources during the inference phase, large language models~(LLMs) can extensively explore the solution space by generating more thought tokens or diverse solutions, thereby producing more accurate responses. However, developing an o1-like reasoning approach is challenging, and researchers have been making various attempts to advance this open area of research. In this paper, we present a preliminary exploration into enhancing the reasoning abilities of LLMs through reward-guided tree search algorithms. This framework is implemented by integrating the policy model, reward model, and search algorithm. It is primarily constructed around a tree search algorithm, where the policy model navigates a dynamically expanding tree guided by a specially trained reward model. We thoroughly explore various design considerations necessary for implementing this framework and provide a detailed report of the technical aspects. To assess the effectiveness of our approach, we focus on mathematical reasoning tasks and conduct extensive evaluations on four challenging datasets, significantly enhancing the reasoning abilities of LLMs.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

In the context of structure-to-structure transformation tasks, learning sequences of discrete symbolic operations poses significant challenges due to their non-differentiability. To facilitate the learning of these symbolic sequences, we introduce a differentiable tree interpreter that compiles high-level symbolic tree operations into subsymbolic matrix operations on tensors. We present a novel Differentiable Tree Machine (DTM) architecture that integrates our interpreter with an external memory and an agent that learns to sequentially select tree operations to execute the target transformation in an end-to-end manner. With respect to out-of-distribution compositional generalization on synthetic semantic parsing and language generation tasks, DTM achieves 100% while existing baselines such as Transformer, Tree Transformer, LSTM, and Tree2Tree LSTM achieve less than 30%. DTM remains highly interpretable in addition to its perfect performance.

Pre-trained on massive amounts of code and text data, large language models (LLMs) have demonstrated remarkable achievements in performing code generation tasks. With additional execution-based feedback, these models can act as agents with capabilities to self-refine and improve generated code autonomously. However, on challenging coding tasks with extremely large search space, current agentic approaches still struggle with multi-stage planning, generating, and debugging. To address this problem, we propose CodeTree, a framework for LLM agents to efficiently explore the search space in different stages of the code generation process. Specifically, we adopted a unified tree structure to explicitly explore different coding strategies, generate corresponding coding solutions, and subsequently refine the solutions. In each stage, critical decision-making (ranking, termination, expanding) of the exploration process is guided by both the environmental execution-based feedback and LLM-agent-generated feedback. We comprehensively evaluated CodeTree on 7 code generation benchmarks and demonstrated the significant performance gains of CodeTree against strong baselines. Using GPT-4o as the base model, we consistently achieved top results of 95.1 on HumanEval, 98.7 on MBPP, and 43.0 on CodeContests. On the challenging SWEBench benchmark, our approach led to significant performance gains.

Recent research suggests that tree search algorithms (e.g. Monte Carlo Tree Search) can dramatically boost LLM performance on complex mathematical reasoning tasks. However, they often require more than 10 times the computational resources of greedy decoding due to wasteful search strategies, making them difficult to be deployed in practical applications. This study introduces a novel guided tree search algorithm with dynamic node selection and node-level exploration budget (maximum number of children) calculation to tackle this issue. By considering the search progress towards the final answer (history) and the guidance from a value network (future) trained without any step-wise annotations, our algorithm iteratively selects the most promising tree node before expanding it within the boundaries of the allocated computational budget. Experiments conducted on the GSM8K and TabMWP datasets demonstrate that our approach not only offers competitive performance but also enjoys significantly lower computational costs compared to baseline methods.

The Game of Life (Life), a well known algorithm within the broader class of cellular automata (CA), exhibits complex emergent dynamics, with extreme sensitivity to initial conditions. Modeling and predicting such intricate behavior without explicit knowledge of the system's underlying topology presents a significant challenge, motivating the development of algorithms that can generalize across various grid configurations and boundary conditions. We develop a decoder-only generative pretrained transformer model to solve this problem, showing that our model can simulate Life on a toroidal grid with no prior knowledge on the size of the grid, or its periodic boundary conditions (LifeGPT). LifeGPT is topology-agnostic with respect to its training data and our results show that a GPT model is capable of capturing the deterministic rules of a Turing-complete system with near-perfect accuracy, given sufficiently diverse training data. We also introduce the idea of an `autoregressive autoregressor' to recursively implement Life using LifeGPT. Our results pave the path towards true universal computation within a large language model (LLM) framework, synthesizing of mathematical analysis with natural language processing, and probing AI systems for situational awareness about the evolution of such algorithms without ever having to compute them. Similar GPTs could potentially solve inverse problems in multicellular self-assembly by extracting CA-compatible rulesets from real-world biological systems to create new predictive models, which would have significant consequences for the fields of bioinspired materials, tissue engineering, and architected materials design.

Language models trained on internet-scale data sets have shown an impressive ability to solve problems in Natural Language Processing and Computer Vision. However, experience is showing that these models are frequently brittle in unexpected ways, and require significant scaffolding to ensure that they operate correctly in the larger systems that comprise "language-model agents." In this paper, we argue that behavior trees provide a unifying framework for combining language models with classical AI and traditional programming. We introduce Dendron, a Python library for programming language model agents using behavior trees. We demonstrate the approach embodied by Dendron in three case studies: building a chat agent, a camera-based infrastructure inspection agent for use on a mobile robot or vehicle, and an agent that has been built to satisfy safety constraints that it did not receive through instruction tuning or RLHF.

Effective instruction tuning is indispensable for optimizing code LLMs, aligning model behavior with user expectations and enhancing model performance in real-world applications. However, most existing methods focus on code snippets, which are limited to specific functionalities and rigid structures, restricting the complexity and diversity of the synthesized data. To address these limitations, we introduce a novel feature tree-based synthesis framework inspired by Abstract Syntax Trees (AST). Unlike AST, which captures syntactic structure of code, our framework models semantic relationships between code elements, enabling the generation of more nuanced and diverse data. The feature tree is constructed from raw data and refined iteratively to increase the quantity and diversity of the extracted features. This process enables the identification of more complex patterns and relationships within the code. By sampling subtrees with controlled depth and breadth, our framework allows precise adjustments to the complexity of the generated code, supporting a wide range of tasks from simple function-level operations to intricate multi-file scenarios. We fine-tuned widely-used base models to create the EpiCoder series, achieving state-of-the-art performance at both the function and file levels across multiple benchmarks. Notably, empirical evidence indicates that our approach shows significant potential in synthesizing highly complex repository-level code data. Further analysis elucidates the merits of this approach by rigorously assessing data complexity and diversity through software engineering principles and LLM-as-a-judge method.

We propose Token Turing Machines (TTM), a sequential, autoregressive Transformer model with memory for real-world sequential visual understanding. Our model is inspired by the seminal Neural Turing Machine, and has an external memory consisting of a set of tokens which summarise the previous history (i.e., frames). This memory is efficiently addressed, read and written using a Transformer as the processing unit/controller at each step. The model's memory module ensures that a new observation will only be processed with the contents of the memory (and not the entire history), meaning that it can efficiently process long sequences with a bounded computational cost at each step. We show that TTM outperforms other alternatives, such as other Transformer models designed for long sequences and recurrent neural networks, on two real-world sequential visual understanding tasks: online temporal activity detection from videos and vision-based robot action policy learning. Code is publicly available at: https://github.com/google-research/scenic/tree/main/scenic/projects/token_turing

In this paper, we propose a robot oriented knowledge management system based on the use of the Prolog language. Our framework hinges on a special organisation of knowledge base that enables: 1. its efficient population from natural language texts using semi-automated procedures based on Large Language Models, 2. the bumpless generation of temporal parallel plans for multi-robot systems through a sequence of transformations, 3. the automated translation of the plan into an executable formalism (the behaviour trees). The framework is supported by a set of open source tools and is shown on a realistic application.

As researchers and practitioners apply Machine Learning to increasingly more software engineering problems, the approaches they use become more sophisticated. A lot of modern approaches utilize internal code structure in the form of an abstract syntax tree (AST) or its extensions: path-based representation, complex graph combining AST with additional edges. Even though the process of extracting ASTs from code can be done with different parsers, the impact of choosing a parser on the final model quality remains unstudied. Moreover, researchers often omit the exact details of extracting particular code representations. In this work, we evaluate two models, namely Code2Seq and TreeLSTM, in the method name prediction task backed by eight different parsers for the Java language. To unify the process of data preparation with different parsers, we develop SuperParser, a multi-language parser-agnostic library based on PathMiner. SuperParser facilitates the end-to-end creation of datasets suitable for training and evaluation of ML models that work with structural information from source code. Our results demonstrate that trees built by different parsers vary in their structure and content. We then analyze how this diversity affects the models' quality and show that the quality gap between the most and least suitable parsers for both models turns out to be significant. Finally, we discuss other features of the parsers that researchers and practitioners should take into account when selecting a parser along with the impact on the models' quality. The code of SuperParser is publicly available at https://doi.org/10.5281/zenodo.6366591. We also publish Java-norm, the dataset we use to evaluate the models: https://doi.org/10.5281/zenodo.6366599.

Despite their remarkable capabilities, large language models often struggle with tasks requiring complex reasoning and planning. While existing approaches like Chain-of-Thought prompting and tree search techniques show promise, they are limited by their reliance on predefined heuristics and computationally expensive exploration strategies. We propose Policy-Guided Tree Search (PGTS), a framework that combines reinforcement learning with structured tree exploration to efficiently navigate reasoning paths. Our key innovation is a learned policy that dynamically decides between expanding, branching, backtracking, or terminating exploration, eliminating the need for manual heuristics or exhaustive search. Experiments across mathematical reasoning, logical deduction, and planning benchmarks demonstrate that PGTS achieves superior reasoning performance while significantly reducing computational costs compared to existing methods. These results establish PGTS as a scalable and effective solution for tackling complex reasoning tasks with LLMs.

The application of machine learning algorithms to source code has grown in the past years. Since these algorithms are quite sensitive to input data, it is not surprising that researchers experiment with input representations. Nowadays, a popular starting point to represent code is abstract syntax trees (ASTs). Abstract syntax trees have been used for a long time in various software engineering domains, and in particular in IDEs. The API of modern IDEs allows to manipulate and traverse ASTs, resolve references between code elements, etc. Such algorithms can enrich ASTs with new data and therefore may be useful in ML-based code analysis. In this work, we present PSIMiner - a tool for processing PSI trees from the IntelliJ Platform. PSI trees contain code syntax trees as well as functions to work with them, and therefore can be used to enrich code representation using static analysis algorithms of modern IDEs. To showcase this idea, we use our tool to infer types of identifiers in Java ASTs and extend the code2seq model for the method name prediction problem.

The left-corner transformation (Rosenkrantz and Lewis, 1970) is used to remove left recursion from context-free grammars, which is an important step towards making the grammar parsable top-down with simple techniques. This paper generalizes prior left-corner transformations to support semiring-weighted production rules and to provide finer-grained control over which left corners may be moved. Our generalized left-corner transformation (GLCT) arose from unifying the left-corner transformation and speculation transformation (Eisner and Blatz, 2007), originally for logic programming. Our new transformation and speculation define equivalent weighted languages. Yet, their derivation trees are structurally different in an important way: GLCT replaces left recursion with right recursion, and speculation does not. We also provide several technical results regarding the formal relationships between the outputs of GLCT, speculation, and the original grammar. Lastly, we empirically investigate the efficiency of GLCT for left-recursion elimination from grammars of nine languages.

Random forests and, more generally, (decision\nobreakdash-)tree ensembles are widely used methods for classification and regression. Recent algorithmic advances allow to compute decision trees that are optimal for various measures such as their size or depth. We are not aware of such research for tree ensembles and aim to contribute to this area. Mainly, we provide two novel algorithms and corresponding lower bounds. First, we are able to carry over and substantially improve on tractability results for decision trees, obtaining a (6delta D S)^S cdot poly-time algorithm, where S is the number of cuts in the tree ensemble, D the largest domain size, and delta is the largest number of features in which two examples differ. To achieve this, we introduce the witness-tree technique which also seems promising for practice. Second, we show that dynamic programming, which has been successful for decision trees, may also be viable for tree ensembles, providing an ell^n cdot poly-time algorithm, where ell is the number of trees and n the number of examples. Finally, we compare the number of cuts necessary to classify training data sets for decision trees and tree ensembles, showing that ensembles may need exponentially fewer cuts for increasing number of trees.

Language agents have demonstrated promising capabilities in automating web-based tasks, though their current reactive approaches still underperform largely compared to humans. While incorporating advanced planning algorithms, particularly tree search methods, could enhance these agents' performance, implementing tree search directly on live websites poses significant safety risks and practical constraints due to irreversible actions such as confirming a purchase. In this paper, we introduce a novel paradigm that augments language agents with model-based planning, pioneering the innovative use of large language models (LLMs) as world models in complex web environments. Our method, WebDreamer, builds on the key insight that LLMs inherently encode comprehensive knowledge about website structures and functionalities. Specifically, WebDreamer uses LLMs to simulate outcomes for each candidate action (e.g., "what would happen if I click this button?") using natural language descriptions, and then evaluates these imagined outcomes to determine the optimal action at each step. Empirical results on two representative web agent benchmarks with online interaction -- VisualWebArena and Mind2Web-live -- demonstrate that WebDreamer achieves substantial improvements over reactive baselines. By establishing the viability of LLMs as world models in web environments, this work lays the groundwork for a paradigm shift in automated web interaction. More broadly, our findings open exciting new avenues for future research into 1) optimizing LLMs specifically for world modeling in complex, dynamic environments, and 2) model-based speculative planning for language agents.

Turing machine and decision tree have developed independently for a long time. With the recent development of differentiable models, there is an intersection between them. Neural turing machine(NTM) opens door for the memory network. It use differentiable attention mechanism to read/write external memory bank. Differentiable forest brings differentiable properties to classical decision tree. In this short note, we show the deep connection between these two models. That is: differentiable forest is a special case of NTM. Differentiable forest is actually decision tree based neural turing machine. Based on this deep connection, we propose a response augmented differential forest (RaDF). The controller of RaDF is differentiable forest, the external memory of RaDF are response vectors which would be read/write by leaf nodes.

We show that autoregressive decoding of a transformer-based language model can realize universal computation, without external intervention or modification of the model's weights. Establishing this result requires understanding how a language model can process arbitrarily long inputs using a bounded context. For this purpose, we consider a generalization of autoregressive decoding where, given a long input, emitted tokens are appended to the end of the sequence as the context window advances. We first show that the resulting system corresponds to a classical model of computation, a Lag system, that has long been known to be computationally universal. By leveraging a new proof, we show that a universal Turing machine can be simulated by a Lag system with 2027 production rules. We then investigate whether an existing large language model can simulate the behaviour of such a universal Lag system. We give an affirmative answer by showing that a single system-prompt can be developed for gemini-1.5-pro-001 that drives the model, under deterministic (greedy) decoding, to correctly apply each of the 2027 production rules. We conclude that, by the Church-Turing thesis, prompted gemini-1.5-pro-001 with extended autoregressive (greedy) decoding is a general purpose computer.

We introduce HunyuanProver, an language model finetuned from the Hunyuan 7B for interactive automatic theorem proving with LEAN4. To alleviate the data sparsity issue, we design a scalable framework to iterative synthesize data with low cost. Besides, guided tree search algorithms are designed to enable effective ``system 2 thinking`` of the prover. HunyuanProver achieves state-of-the-art (SOTA) performances on major benchmarks. Specifically, it achieves a pass of 68.4% on the miniF2F-test compared to 65.9%, the current SOTA results. It proves 4 IMO statements (imo_1960_p2, imo_1962_p2}, imo_1964_p2 and imo_1983_p6) in miniF2F-test. To benefit the community, we will open-source a dataset of 30k synthesized instances, where each instance contains the original question in natural language, the converted statement by autoformalization, and the proof by HunyuanProver.

Retrieval-based language models (R-LM) model the probability of natural language text by combining a standard language model (LM) with examples retrieved from an external datastore at test time. While effective, a major bottleneck of using these models in practice is the computationally costly datastore search, which can be performed as frequently as every time step. In this paper, we present RetoMaton - retrieval automaton - which approximates the datastore search, based on (1) saving pointers between consecutive datastore entries, and (2) clustering of entries into "states". This effectively results in a weighted finite automaton built on top of the datastore, instead of representing the datastore as a flat list. The creation of the automaton is unsupervised, and a RetoMaton can be constructed from any text collection: either the original training corpus or from another domain. Traversing this automaton at inference time, in parallel to the LM inference, reduces its perplexity by up to 1.85, or alternatively saves up to 83% of the nearest neighbor searches over kNN-LM (Khandelwal et al., 2020) without hurting perplexity. Our code and trained models are available at https://github.com/neulab/retomaton .

We enhance the calculus of string diagrams for monoidal categories with hierarchical features in order to capture closed monoidal (and cartesian closed) structure. Using this new syntax we formulate an automatic differentiation algorithm for (applied) simply typed lambda calculus in the style of [Pearlmutter and Siskind 2008] and we prove for the first time its soundness. To give an efficient yet principled implementation of the AD algorithm we define a sound and complete representation of hierarchical string diagrams as a class of hierarchical hypergraphs we call hypernets.

Symbolic regression (SR) is an area of interpretable machine learning that aims to identify mathematical expressions, often composed of simple functions, that best fit in a given set of covariates X and response y. In recent years, deep symbolic regression (DSR) has emerged as a popular method in the field by leveraging deep reinforcement learning to solve the complicated combinatorial search problem. In this work, we propose an alternative framework (GFN-SR) to approach SR with deep learning. We model the construction of an expression tree as traversing through a directed acyclic graph (DAG) so that GFlowNet can learn a stochastic policy to generate such trees sequentially. Enhanced with an adaptive reward baseline, our method is capable of generating a diverse set of best-fitting expressions. Notably, we observe that GFN-SR outperforms other SR algorithms in noisy data regimes, owing to its ability to learn a distribution of rewards over a space of candidate solutions.

We design controlled experiments to study HOW generative language models, like GPT, learn context-free grammars (CFGs) -- diverse language systems with a tree-like structure capturing many aspects of natural languages, programs, and logics. CFGs are as hard as pushdown automata, and can be ambiguous so that verifying if a string satisfies the rules requires dynamic programming. We construct synthetic data and demonstrate that even for difficult (long and ambiguous) CFGs, pre-trained transformers can learn to generate sentences with near-perfect accuracy and impressive diversity. More importantly, we delve into the physical principles behind how transformers learns CFGs. We discover that the hidden states within the transformer implicitly and precisely encode the CFG structure (such as putting tree node information exactly on the subtree boundary), and learn to form "boundary to boundary" attentions resembling dynamic programming. We also cover some extension of CFGs as well as the robustness aspect of transformers against grammar mistakes. Overall, our research provides a comprehensive and empirical understanding of how transformers learn CFGs, and reveals the physical mechanisms utilized by transformers to capture the structure and rules of languages.

The chain-structured long short-term memory (LSTM) has showed to be effective in a wide range of problems such as speech recognition and machine translation. In this paper, we propose to extend it to tree structures, in which a memory cell can reflect the history memories of multiple child cells or multiple descendant cells in a recursive process. We call the model S-LSTM, which provides a principled way of considering long-distance interaction over hierarchies, e.g., language or image parse structures. We leverage the models for semantic composition to understand the meaning of text, a fundamental problem in natural language understanding, and show that it outperforms a state-of-the-art recursive model by replacing its composition layers with the S-LSTM memory blocks. We also show that utilizing the given structures is helpful in achieving a performance better than that without considering the structures.

This paper presents a novel approach to generating behavior trees for robots using lightweight large language models (LLMs) with a maximum of 7 billion parameters. The study demonstrates that it is possible to achieve satisfying results with compact LLMs when fine-tuned on a specific dataset. The key contributions of this research include the creation of a fine-tuning dataset based on existing behavior trees using GPT-3.5 and a comprehensive comparison of multiple LLMs (namely llama2, llama-chat, and code-llama) across nine distinct tasks. To be thorough, we evaluated the generated behavior trees using static syntactical analysis, a validation system, a simulated environment, and a real robot. Furthermore, this work opens the possibility of deploying such solutions directly on the robot, enhancing its practical applicability. Findings from this study demonstrate the potential of LLMs with a limited number of parameters in generating effective and efficient robot behaviors.

We introduce Biomaker CA: a Biome Maker project using Cellular Automata (CA). In Biomaker CA, morphogenesis is a first class citizen and small seeds need to grow into plant-like organisms to survive in a nutrient starved environment and eventually reproduce with variation so that a biome survives for long timelines. We simulate complex biomes by means of CA rules in 2D grids and parallelize all of its computation on GPUs through the Python JAX framework. We show how this project allows for several different kinds of environments and laws of 'physics', alongside different model architectures and mutation strategies. We further analyze some configurations to show how plant agents can grow, survive, reproduce, and evolve, forming stable and unstable biomes. We then demonstrate how one can meta-evolve models to survive in a harsh environment either through end-to-end meta-evolution or by a more surgical and efficient approach, called Petri dish meta-evolution. Finally, we show how to perform interactive evolution, where the user decides how to evolve a plant model interactively and then deploys it in a larger environment. We open source Biomaker CA at: https://tinyurl.com/2x8yu34s .

Large Language Models have excelled in remarkable reasoning capabilities with advanced prompting techniques, but they fall short on tasks that require exploration, strategic foresight, and sequential decision-making. Recent works propose to utilize external programs to define search logic, such that LLMs can perform passive tree search to solve more challenging reasoning tasks. Though impressive results have been achieved, there are several fundamental limitations of these approaches. First, passive tree searches are not efficient as they usually require multiple rounds of LLM API calls to solve one single problem. Moreover, passive search methods are not flexible since they need task-specific program designs. Then a natural question arises: can we maintain the tree-search capability of LLMs without the aid of external programs, and can still generate responses that clearly demonstrate the process of a tree-structure search? To this end, we propose a new concept called autonomous tree-search ability of LLM, which can automatically generate a response containing search trajectories for the correct answer. Concretely, we perform search trajectories using capable LLM API via a fixed system prompt, allowing them to perform autonomous tree-search (ATS) right out of the box. Experiments on 4 puzzle games demonstrate our method can achieve huge improvements. The ATS-BFS method outperforms the Chain of Thought approach by achieving an average accuracy improvement of 33%. Compared to Tree of Thoughts, it requires 65.6% or 47.7% less GPT-api cost to attain a comparable level of accuracy. Moreover, we have collected data using the ATS prompt method and fine-tuned LLaMA. This approach yield a greater improvement compared to the ones fine-tuned on CoT data. Specifically, it outperforms CoT-tuned LLaMAs by an average of 40.6% and 38.5% for LLaMA2-7B and LLaMA2-13B, respectively.

Model-Free Reinforcement Learning (RL) algorithms either learn how to map states to expected rewards or search for policies that can maximize a certain performance function. Model-Based algorithms instead, aim to learn an approximation of the underlying model of the RL environment and then use it in combination with planning algorithms. Upside-Down Reinforcement Learning (UDRL) is a novel learning paradigm that aims to learn how to predict actions from states and desired commands. This task is formulated as a Supervised Learning problem and has successfully been tackled by Neural Networks (NNs). In this paper, we investigate whether function approximation algorithms other than NNs can also be used within a UDRL framework. Our experiments, performed over several popular optimal control benchmarks, show that tree-based methods like Random Forests and Extremely Randomized Trees can perform just as well as NNs with the significant benefit of resulting in policies that are inherently more interpretable than NNs, therefore paving the way for more transparent, safe, and robust RL.

This paper reports on patterns exhibiting self-replication with spontaneous, inheritable mutations and exponential genetic drift in Neural Cellular Automata. Despite the models not being explicitly trained for mutation or inheritability, the descendant patterns exponentially drift away from ancestral patterns, even when the automaton is deterministic. While this is far from being the first instance of evolutionary dynamics in a cellular automaton, it is the first to do so by exploiting the power and convenience of Neural Cellular Automata, arguably increasing the space of variations and the opportunity for Open Ended Evolution.

Policy Compliance Detection (PCD) is a task we encounter when reasoning over texts, e.g. legal frameworks. Previous work to address PCD relies heavily on modeling the task as a special case of Recognizing Textual Entailment. Entailment is applicable to the problem of PCD, however viewing the policy as a single proposition, as opposed to multiple interlinked propositions, yields poor performance and lacks explainability. To address this challenge, more recent proposals for PCD have argued for decomposing policies into expression trees consisting of questions connected with logic operators. Question answering is used to obtain answers to these questions with respect to a scenario. Finally, the expression tree is evaluated in order to arrive at an overall solution. However, this work assumes expression trees are provided by experts, thus limiting its applicability to new policies. In this work, we learn how to infer expression trees automatically from policy texts. We ensure the validity of the inferred trees by introducing constrained decoding using a finite state automaton to ensure the generation of valid trees. We determine through automatic evaluation that 63% of the expression trees generated by our constrained generation model are logically equivalent to gold trees. Human evaluation shows that 88% of trees generated by our model are correct.

In this paper, we examine how large language models (LLMs) solve multi-step problems under a language agent framework with three components: a generator, a discriminator, and a planning method. We investigate the practical utility of two advanced planning methods, iterative correction and tree search. We present a comprehensive analysis of how discrimination accuracy affects the overall performance of agents when using these two methods or a simpler method, re-ranking. Experiments on two tasks, text-to-SQL parsing and mathematical reasoning, show that: (1) advanced planning methods demand discriminators with at least 90% accuracy to achieve significant improvements over re-ranking; (2) current LLMs' discrimination abilities have not met the needs of advanced planning methods to achieve such improvements; (3) with LLM-based discriminators, advanced planning methods may not adequately balance accuracy and efficiency. For example, compared to the other two methods, tree search is at least 10--20 times slower but leads to negligible performance gains, which hinders its real-world applications. Code and data will be released at https://github.com/OSU-NLP-Group/llm-planning-eval.

Large language models generate code one token at a time. Their autoregressive generation process lacks the feedback of observing the program's output. Training LLMs to suggest edits directly can be challenging due to the scarcity of rich edit data. To address these problems, we propose neural diffusion models that operate on syntax trees of any context-free grammar. Similar to image diffusion models, our method also inverts ``noise'' applied to syntax trees. Rather than generating code sequentially, we iteratively edit it while preserving syntactic validity, which makes it easy to combine this neural model with search. We apply our approach to inverse graphics tasks, where our model learns to convert images into programs that produce those images. Combined with search, our model is able to write graphics programs, see the execution result, and debug them to meet the required specifications. We additionally show how our system can write graphics programs for hand-drawn sketches.

Automated code generation with large language models has gained significant traction, but there remains no guarantee on the correctness of generated code. We aim to use formal verification to provide mathematical guarantees that the generated code is correct. However, generating formally verified code with LLMs is hindered by the scarcity of training data and the complexity of formal proofs. To tackle this challenge, we introduce AlphaVerus, a self-improving framework that bootstraps formally verified code generation by iteratively translating programs from a higher-resource language and leveraging feedback from a verifier. AlphaVerus operates in three phases: exploration of candidate translations, Treefinement -- a novel tree search algorithm for program refinement using verifier feedback, and filtering misaligned specifications and programs to prevent reward hacking. Through this iterative process, AlphaVerus enables a LLaMA-3.1-70B model to generate verified code without human intervention or model finetuning. AlphaVerus shows an ability to generate formally verified solutions for HumanEval and MBPP, laying the groundwork for truly trustworthy code-generation agents.

Selective state-space models (SSMs) are an emerging alternative to the Transformer, offering the unique advantage of parallel training and sequential inference. Although these models have shown promising performance on a variety of tasks, their formal expressiveness and length generalization properties remain underexplored. In this work, we provide insight into the workings of selective SSMs by analyzing their expressiveness and length generalization performance on regular language tasks, i.e., finite-state automaton (FSA) emulation. We address certain limitations of modern SSM-based architectures by introducing the Selective Dense State-Space Model (SD-SSM), the first selective SSM that exhibits perfect length generalization on a set of various regular language tasks using a single layer. It utilizes a dictionary of dense transition matrices, a softmax selection mechanism that creates a convex combination of dictionary matrices at each time step, and a readout consisting of layer normalization followed by a linear map. We then proceed to evaluate variants of diagonal selective SSMs by considering their empirical performance on commutative and non-commutative automata. We explain the experimental results with theoretical considerations. Our code is available at https://github.com/IBM/selective-dense-state-space-model.

This paper introduces Adaptive Computation Time (ACT), an algorithm that allows recurrent neural networks to learn how many computational steps to take between receiving an input and emitting an output. ACT requires minimal changes to the network architecture, is deterministic and differentiable, and does not add any noise to the parameter gradients. Experimental results are provided for four synthetic problems: determining the parity of binary vectors, applying binary logic operations, adding integers, and sorting real numbers. Overall, performance is dramatically improved by the use of ACT, which successfully adapts the number of computational steps to the requirements of the problem. We also present character-level language modelling results on the Hutter prize Wikipedia dataset. In this case ACT does not yield large gains in performance; however it does provide intriguing insight into the structure of the data, with more computation allocated to harder-to-predict transitions, such as spaces between words and ends of sentences. This suggests that ACT or other adaptive computation methods could provide a generic method for inferring segment boundaries in sequence data.

In this paper, we present JADE, a targeted linguistic fuzzing platform which strengthens the linguistic complexity of seed questions to simultaneously and consistently break a wide range of widely-used LLMs categorized in three groups: eight open-sourced Chinese, six commercial Chinese and four commercial English LLMs. JADE generates three safety benchmarks for the three groups of LLMs, which contain unsafe questions that are highly threatening: the questions simultaneously trigger harmful generation of multiple LLMs, with an average unsafe generation ratio of 70% (please see the table below), while are still natural questions, fluent and preserving the core unsafe semantics. We release the benchmark demos generated for commercial English LLMs and open-sourced English LLMs in the following link: https://github.com/whitzard-ai/jade-db. For readers who are interested in evaluating on more questions generated by JADE, please contact us. JADE is based on Noam Chomsky's seminal theory of transformational-generative grammar. Given a seed question with unsafe intention, JADE invokes a sequence of generative and transformational rules to increment the complexity of the syntactic structure of the original question, until the safety guardrail is broken. Our key insight is: Due to the complexity of human language, most of the current best LLMs can hardly recognize the invariant evil from the infinite number of different syntactic structures which form an unbound example space that can never be fully covered. Technically, the generative/transformative rules are constructed by native speakers of the languages, and, once developed, can be used to automatically grow and transform the parse tree of a given question, until the guardrail is broken. For more evaluation results and demo, please check our website: https://whitzard-ai.github.io/jade.html.

Traditional agentic workflows rely on external prompts to manage interactions with tools and the environment, which limits the autonomy of reasoning models. We position Large Agent Models (LAMs) that internalize the generation of Chain-of-Action (CoA), enabling the model to autonomously decide when and how to use external tools. Our proposed AutoCoA framework combines supervised fine-tuning (SFT) and reinforcement learning (RL), allowing the model to seamlessly switch between reasoning and action while efficiently managing environment interactions. Main components include step-level action triggering, trajectory-level CoA optimization, and an internal world model to reduce real-environment interaction costs. Evaluations on open-domain QA tasks demonstrate that AutoCoA-trained agent models significantly outperform ReAct-based workflows in task completion, especially in tasks that require long-term reasoning and multi-step actions. Code and dataset are available at https://github.com/ADaM-BJTU/AutoCoA

The applications of LLM Agents are becoming increasingly complex and diverse, leading to a high demand for structured outputs that can be parsed into code, structured function calls, and embodied agent commands. These developments bring significant demands for structured generation in LLM inference. Context-free grammar is a flexible approach to enable structured generation via constrained decoding. However, executing context-free grammar requires going through several stack states over all tokens in vocabulary during runtime, bringing non-negligible overhead for structured generation. In this paper, we propose XGrammar, a flexible and efficient structure generation engine for large language models. XGrammar accelerates context-free grammar execution by dividing the vocabulary into context-independent tokens that can be prechecked and context-dependent tokens that need to be interpreted during runtime. We further build transformations to expand the grammar context and reduce the number of context-independent tokens. Additionally, we build an efficient persistent stack to accelerate the context-dependent token checks. Finally, we co-design the grammar engine with LLM inference engine to overlap grammar computation with GPU executions. Evaluation results show that XGrammar can achieve up to 100x speedup over existing solutions. Combined with an LLM inference engine, it can generate near-zero overhead structure generation in end-to-end low-LLM serving.

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

The objective of pre-trained language models is to learn contextual representations of textual data. Pre-trained language models have become mainstream in natural language processing and code modeling. Using probes, a technique to study the linguistic properties of hidden vector spaces, previous works have shown that these pre-trained language models encode simple linguistic properties in their hidden representations. However, none of the previous work assessed whether these models encode the whole grammatical structure of a programming language. In this paper, we prove the existence of a syntactic subspace, lying in the hidden representations of pre-trained language models, which contain the syntactic information of the programming language. We show that this subspace can be extracted from the models' representations and define a novel probing method, the AST-Probe, that enables recovering the whole abstract syntax tree (AST) of an input code snippet. In our experimentations, we show that this syntactic subspace exists in five state-of-the-art pre-trained language models. In addition, we highlight that the middle layers of the models are the ones that encode most of the AST information. Finally, we estimate the optimal size of this syntactic subspace and show that its dimension is substantially lower than those of the models' representation spaces. This suggests that pre-trained language models use a small part of their representation spaces to encode syntactic information of the programming languages.

Speculative decoding is an inference-acceleration method for large language models (LLMs) where a small language model generates a draft-token sequence which is further verified by the target LLM in parallel. Recent works have advanced this method by establishing a draft-token tree, achieving superior performance over a single-sequence speculative decoding. However, those works independently generate tokens at each level of the tree, not leveraging the tree's entire diversifiability. Besides, their empirical superiority has been shown for fixed length of sequences, implicitly granting more computational resource to LLM for the tree-based methods. None of the existing works has conducted empirical studies with fixed target computational budgets despite its importance to resource-bounded devices. We present Recursive Speculative Decoding (RSD), a novel tree-based method that samples draft tokens without replacement and maximizes the diversity of the tree. During RSD's drafting, the tree is built by either Gumbel-Top-k trick that draws tokens without replacement in parallel or Stochastic Beam Search that samples sequences without replacement while early-truncating unlikely draft sequences and reducing the computational cost of LLM. We empirically evaluate RSD with Llama 2 and OPT models, showing that RSD outperforms the baseline methods, consistently for fixed draft sequence length and in most cases for fixed computational budgets at LLM.

Scaling laws for inference compute in multi-agent systems remain under-explored compared to single-agent scenarios. This work aims to bridge this gap by investigating the problem of data synthesis through multi-agent sampling, where synthetic responses are generated by sampling from multiple distinct language models. Effective model coordination is crucial for successful multi-agent collaboration. Unlike previous approaches that rely on fixed workflows, we treat model coordination as a multi-step decision-making process, optimizing generation structures dynamically for each input question. We introduce Tree Search-based Orchestrated Agents~(TOA), where the workflow evolves iteratively during the sequential sampling process. To achieve this, we leverage Monte Carlo Tree Search (MCTS), integrating a reward model to provide real-time feedback and accelerate exploration. Our experiments on alignment, machine translation, and mathematical reasoning demonstrate that multi-agent sampling significantly outperforms single-agent sampling as inference compute scales. TOA is the most compute-efficient approach, achieving SOTA performance on WMT and a 71.8\% LC win rate on AlpacaEval. Moreover, fine-tuning with our synthesized alignment data surpasses strong preference learning methods on challenging benchmarks such as Arena-Hard and AlpacaEval.

Robotic assembly tasks are open challenges due to the long task horizon and complex part relations. Behavior trees (BTs) are increasingly used in robot task planning for their modularity and flexibility, but manually designing them can be effort-intensive. Large language models (LLMs) have recently been applied in robotic task planning for generating action sequences, but their ability to generate BTs has not been fully investigated. To this end, We propose LLM as BT-planner, a novel framework to leverage LLMs for BT generation in robotic assembly task planning and execution. Four in-context learning methods are introduced to utilize the natural language processing and inference capabilities of LLMs to produce task plans in BT format, reducing manual effort and ensuring robustness and comprehensibility. We also evaluate the performance of fine-tuned, fewer-parameter LLMs on the same tasks. Experiments in simulated and real-world settings show that our framework enhances LLMs' performance in BT generation, improving success rates in BT generation through in-context learning and supervised fine-tuning.

In this article we describe an efficient approach to guiding language model text generation with regular expressions and context-free grammars. Our approach adds little to no overhead to the token sequence generation process, and makes guided generation feasible in practice. An implementation is provided in the open source Python library Outlines.

Attention, specifically scaled dot-product attention, has proven effective for natural language, but it does not have a mechanism for handling hierarchical patterns of arbitrary nesting depth, which limits its ability to recognize certain syntactic structures. To address this shortcoming, we propose stack attention: an attention operator that incorporates stacks, inspired by their theoretical connections to context-free languages (CFLs). We show that stack attention is analogous to standard attention, but with a latent model of syntax that requires no syntactic supervision. We propose two variants: one related to deterministic pushdown automata (PDAs) and one based on nondeterministic PDAs, which allows transformers to recognize arbitrary CFLs. We show that transformers with stack attention are very effective at learning CFLs that standard transformers struggle on, achieving strong results on a CFL with theoretically maximal parsing difficulty. We also show that stack attention is more effective at natural language modeling under a constrained parameter budget, and we include results on machine translation.

Researchers have made significant progress in automating the software development process in the past decades. Recent progress in Large Language Models (LLMs) has significantly impacted the development process, where developers can use LLM-based programming assistants to achieve automated coding. Nevertheless, software engineering involves the process of program improvement apart from coding, specifically to enable software maintenance (e.g. bug fixing) and software evolution (e.g. feature additions). In this paper, we propose an automated approach for solving GitHub issues to autonomously achieve program improvement. In our approach called AutoCodeRover, LLMs are combined with sophisticated code search capabilities, ultimately leading to a program modification or patch. In contrast to recent LLM agent approaches from AI researchers and practitioners, our outlook is more software engineering oriented. We work on a program representation (abstract syntax tree) as opposed to viewing a software project as a mere collection of files. Our code search exploits the program structure in the form of classes/methods to enhance LLM's understanding of the issue's root cause, and effectively retrieve a context via iterative search. The use of spectrum-based fault localization using tests, further sharpens the context, as long as a test-suite is available. Experiments on SWE-bench-lite (300 real-life GitHub issues) show increased efficacy in solving GitHub issues (19% on SWE-bench-lite), which is higher than the efficacy of the recently reported SWE-agent. In addition, AutoCodeRover achieved this efficacy with significantly lower cost (on average, $0.43 USD), compared to other baselines. We posit that our workflow enables autonomous software engineering, where, in future, auto-generated code from LLMs can be autonomously improved.

Planning remains one of the last standing bastions for large language models (LLMs), which now turn their attention to search. Most of the literature uses the language models as world models to define the search space, forgoing soundness for the sake of flexibility. A recent work, Thought of Search (ToS), proposed defining the search space with code, having the language models produce that code. ToS requires a human in the loop, collaboratively producing a sound successor function and goal test. The result, however, is worth the effort: all the tested datasets were solved with 100% accuracy. At the same time LLMs have demonstrated significant progress in code generation and refinement for complex reasoning tasks. In this work, we automate ToS (AutoToS), completely taking the human out of the loop of solving planning problems. AutoToS guides the language model step by step towards the generation of sound and complete search components, through feedback from both generic and domain specific unit tests. We achieve 100% accuracy, with minimal feedback iterations, using LLMs of various sizes on all evaluated domains.

Although current Large Language Models (LLMs) exhibit impressive capabilities, performing complex real-world tasks still requires tool learning. Mainstream methods, such as CoT/ReAct, rely on step-by-step tool invocation to interact with external environments, but they are limited in perceptual scope and lack adequate task-planning capability. To address these limitations, other studies introduce the first Search-based Decision Tree (DFSDT), which still suffers from the high computational cost. In this paper, we introduce a novel parallel tool invocation paradigm, DTA-Llama (Divide-Then-Aggregate Llama). First, we transform traditional tree-based tool search paths into Directed Acyclic Graph (DAG) structure, generating a high-quality parallel tool invocation dataset. The DTA-Llama is then trained on the dataset to learn to iteratively divide the current task into several parallel tool invocation sub-tasks and aggregate the invocation results to decide the next actions. Furthermore, we introduce an efficient inference framework inspired by the Process/Threads mechanism when applying the DTA-Llama to practical tasks. Experimental results show that our approach substantially enhances task performance while reducing token consumption and inference time. Llama2-7B, using our method, is comparable to the official parallel function calling method of GPT-3.5. The relevant code, dataset, and model weights are available at https://corn0205.github.io/

In this paper, we present the findings of our Project ALPINE which stands for ``Autoregressive Learning for Planning In NEtworks." Project ALPINE initiates a theoretical investigation into the development of planning capabilities in Transformer-based language models through their autoregressive learning mechanisms, aiming to identify any potential limitations in their planning abilities. We abstract planning as a network path-finding task where the objective is to generate a valid path from a specified source node to a designated target node. In terms of expressiveness, we show that the Transformer is capable of executing path-finding by embedding the adjacency and reachability matrices within its weights. Our theoretical analysis of the gradient-based learning dynamic of the Transformer reveals that the Transformer is capable of learning both the adjacency matrix and a limited form of the reachability matrix. These theoretical insights are then validated through experiments, which demonstrate that the Transformer indeed learns the adjacency matrix and an incomplete reachability matrix, which aligns with the predictions made in our theoretical analysis. Additionally, when applying our methodology to a real-world planning benchmark, called Blocksworld, our observations remain consistent. Our theoretical and empirical analyses further unveil a potential limitation of Transformer in path-finding: it cannot identify reachability relationships through transitivity, and thus would fail when path concatenation is needed to generate a path. In summary, our findings shed new light on how the internal mechanisms of autoregressive learning enable planning in networks. This study may contribute to our understanding of the general planning capabilities in other related domains.

Large language models (LLMs) have demonstrated impressive capability in reasoning and planning when integrated with tree-search-based prompting methods. However, since these methods ignore the previous search experiences, they often make the same mistakes in the search process. To address this issue, we introduce Reflection on search Trees (RoT), an LLM reflection framework designed to improve the performance of tree-search-based prompting methods. It uses a strong LLM to summarize guidelines from previous tree search experiences to enhance the ability of a weak LLM. The guidelines are instructions about solving this task through tree search which can prevent the weak LLMs from making similar mistakes in the past search process. In addition, we proposed a novel state selection method, which identifies the critical information from historical search processes to help RoT generate more specific and meaningful guidelines. In our extensive experiments, we find that RoT significantly improves the performance of LLMs in reasoning or planning tasks with various tree-search-based prompting methods (e.g., BFS and MCTS). Non-tree-search-based prompting methods such as Chain-of-Thought (CoT) can also benefit from RoT guidelines since RoT can provide task-specific knowledge collected from the search experience.

Constructing agents with planning capabilities has long been one of the main challenges in the pursuit of artificial intelligence. Tree-based planning methods have enjoyed huge success in challenging domains, such as chess and Go, where a perfect simulator is available. However, in real-world problems the dynamics governing the environment are often complex and unknown. In this work we present the MuZero algorithm which, by combining a tree-based search with a learned model, achieves superhuman performance in a range of challenging and visually complex domains, without any knowledge of their underlying dynamics. MuZero learns a model that, when applied iteratively, predicts the quantities most directly relevant to planning: the reward, the action-selection policy, and the value function. When evaluated on 57 different Atari games - the canonical video game environment for testing AI techniques, in which model-based planning approaches have historically struggled - our new algorithm achieved a new state of the art. When evaluated on Go, chess and shogi, without any knowledge of the game rules, MuZero matched the superhuman performance of the AlphaZero algorithm that was supplied with the game rules.

Large Language Models (LLMs) agents are increasingly pivotal for addressing complex tasks in interactive environments. Existing work mainly focuses on enhancing performance through behavior cloning from stronger experts, yet such approaches often falter in real-world applications, mainly due to the inability to recover from errors. However, step-level critique data is difficult and expensive to collect. Automating and dynamically constructing self-critique datasets is thus crucial to empowering models with intelligent agent capabilities. In this work, we propose an iterative self-training framework, Agent-R, that enables language Agent to Reflect on the fly. Unlike traditional methods that reward or penalize actions based on correctness, Agent-R leverages MCTS to construct training data that recover correct trajectories from erroneous ones. A key challenge of agent reflection lies in the necessity for timely revision rather than waiting until the end of a rollout. To address this, we introduce a model-guided critique construction mechanism: the actor model identifies the first error step (within its current capability) in a failed trajectory. Starting from it, we splice it with the adjacent correct path, which shares the same parent node in the tree. This strategy enables the model to learn reflection based on its current policy, therefore yielding better learning efficiency. To further explore the scalability of this self-improvement paradigm, we investigate iterative refinement of both error correction capabilities and dataset construction. Our findings demonstrate that Agent-R continuously improves the model's ability to recover from errors and enables timely error correction. Experiments on three interactive environments show that Agent-R effectively equips agents to correct erroneous actions while avoiding loops, achieving superior performance compared to baseline methods (+5.59%).

In the realm of embodied artificial intelligence, the reasoning capabilities of Large Language Models (LLMs) play a pivotal role. Although there are effective methods like program-of-thought prompting for LLMs which uses programming language to tackle complex reasoning tasks, the specific impact of code data on the improvement of reasoning capabilities remains under-explored. To address this gap, we propose complexity-impacted reasoning score (CIRS), which combines structural and logical attributes, to measure the correlation between code and reasoning abilities. Specifically, we use the abstract syntax tree to encode the structural information and calculate logical complexity by considering the difficulty and the cyclomatic complexity. Through an empirical analysis, we find not all code data of complexity can be learned or understood by LLMs. Optimal level of complexity is critical to the improvement of reasoning abilities by program-aided prompting. Then we design an auto-synthesizing and stratifying algorithm, and apply it to instruction generation for mathematical reasoning and code data filtering for code generation tasks. Extensive results demonstrates the effectiveness of our proposed approach. Code will be integrated into the EasyInstruct framework at https://github.com/zjunlp/EasyInstruct.

Federated learning has emerged as a promising distributed learning paradigm that facilitates collaborative learning among multiple parties without transferring raw data. However, most existing federated learning studies focus on either horizontal or vertical data settings, where the data of different parties are assumed to be from the same feature or sample space. In practice, a common scenario is the hybrid data setting, where data from different parties may differ both in the features and samples. To address this, we propose HybridTree, a novel federated learning approach that enables federated tree learning on hybrid data. We observe the existence of consistent split rules in trees. With the help of these split rules, we theoretically show that the knowledge of parties can be incorporated into the lower layers of a tree. Based on our theoretical analysis, we propose a layer-level solution that does not need frequent communication traffic to train a tree. Our experiments demonstrate that HybridTree can achieve comparable accuracy to the centralized setting with low computational and communication overhead. HybridTree can achieve up to 8 times speedup compared with the other baselines.

Large language models (LLMs) have demonstrated powerful decision-making and planning capabilities in solving complicated real-world problems. LLM-based autonomous agents can interact with diverse tools (e.g., functional APIs) and generate solution plans that execute a series of API function calls in a step-by-step manner. The multitude of candidate API function calls significantly expands the action space, amplifying the critical need for efficient action space navigation. However, existing methods either struggle with unidirectional exploration in expansive action spaces, trapped into a locally optimal solution, or suffer from exhaustively traversing all potential actions, causing inefficient navigation. To address these issues, we propose ToolChain*, an efficient tree search-based planning algorithm for LLM-based agents. It formulates the entire action space as a decision tree, where each node represents a possible API function call involved in a solution plan. By incorporating the A* search algorithm with task-specific cost function design, it efficiently prunes high-cost branches that may involve incorrect actions, identifying the most low-cost valid path as the solution. Extensive experiments on multiple tool-use and reasoning tasks demonstrate that ToolChain* efficiently balances exploration and exploitation within an expansive action space. It outperforms state-of-the-art baselines on planning and reasoning tasks by 3.1% and 3.5% on average while requiring 7.35x and 2.31x less time, respectively.

Solving complex reasoning tasks is a key real-world application of agents. Thanks to the pretraining of Large Language Models (LLMs) on code data, recent approaches like CodeAct successfully use code as LLM agents' action, achieving good results. However, CodeAct greedily generates the next action's code block by relying on fragmented thoughts, resulting in inconsistency and instability. Moreover, CodeAct lacks action-related ground-truth (GT), making its supervision signals and termination conditions questionable in multi-turn interactions. To address these issues, we first introduce a simple yet effective end-to-end code generation paradigm, CodeProgram, which leverages code's systematic logic to align with global reasoning and enable cohesive problem-solving. Then, we propose Tree-of-Code (ToC), which self-grows CodeProgram nodes based on the executable nature of the code and enables self-supervision in a GT-free scenario. Experimental results on two datasets using ten popular zero-shot LLMs show ToC remarkably boosts accuracy by nearly 20% over CodeAct with less than 1/4 turns. Several LLMs even perform better on one-turn CodeProgram than on multi-turn CodeAct. To further investigate the trade-off between efficacy and efficiency, we test different ToC tree sizes and exploration mechanisms. We also highlight the potential of ToC's end-to-end data generation for supervised and reinforced fine-tuning.

We extend the simply-typed guarded lambda-calculus with discrete probabilities and endow it with a program logic for reasoning about relational properties of guarded probabilistic computations. This provides a framework for programming and reasoning about infinite stochastic processes like Markov chains. We demonstrate the logic sound by interpreting its judgements in the topos of trees and by using probabilistic couplings for the semantics of relational assertions over distributions on discrete types. The program logic is designed to support syntax-directed proofs in the style of relational refinement types, but retains the expressiveness of higher-order logic extended with discrete distributions, and the ability to reason relationally about expressions that have different types or syntactic structure. In addition, our proof system leverages a well-known theorem from the coupling literature to justify better proof rules for relational reasoning about probabilistic expressions. We illustrate these benefits with a broad range of examples that were beyond the scope of previous systems, including shift couplings and lump couplings between random walks.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

For a complicated algorithm, its implementation by a human programmer usually starts with outlining a rough control flow followed by iterative enrichments, eventually yielding carefully generated syntactic structures and variables in a hierarchy. However, state-of-the-art large language models generate codes in a single pass, without intermediate warm-ups to reflect the structured thought process of "outline-then-detail". Inspired by the recent success of chain-of-thought prompting, we propose ChainCoder, a program synthesis language model that generates Python code progressively, i.e. from coarse to fine in multiple passes. We first decompose source code into layout frame components and accessory components via abstract syntax tree parsing to construct a hierarchical representation. We then reform our prediction target into a multi-pass objective, each pass generates a subsequence, which is concatenated in the hierarchy. Finally, a tailored transformer architecture is leveraged to jointly encode the natural language descriptions and syntactically aligned I/O data samples. Extensive evaluations show that ChainCoder outperforms state-of-the-arts, demonstrating that our progressive generation eases the reasoning procedure and guides the language model to generate higher-quality solutions. Our codes are available at: https://github.com/VITA-Group/ChainCoder.

Language models are increasingly being deployed for general problem solving across a wide range of tasks, but are still confined to token-level, left-to-right decision-making processes during inference. This means they can fall short in tasks that require exploration, strategic lookahead, or where initial decisions play a pivotal role. To surmount these challenges, we introduce a new framework for language model inference, Tree of Thoughts (ToT), which generalizes over the popular Chain of Thought approach to prompting language models, and enables exploration over coherent units of text (thoughts) that serve as intermediate steps toward problem solving. ToT allows LMs to perform deliberate decision making by considering multiple different reasoning paths and self-evaluating choices to decide the next course of action, as well as looking ahead or backtracking when necessary to make global choices. Our experiments show that ToT significantly enhances language models' problem-solving abilities on three novel tasks requiring non-trivial planning or search: Game of 24, Creative Writing, and Mini Crosswords. For instance, in Game of 24, while GPT-4 with chain-of-thought prompting only solved 4% of tasks, our method achieved a success rate of 74%. Code repo with all prompts: https://github.com/ysymyth/tree-of-thought-llm.

Data of sequential nature arise in many application domains in forms of, e.g. textual data, DNA sequences, and software execution traces. Different research disciplines have developed methods to learn sequence models from such datasets: (i) in the machine learning field methods such as (hidden) Markov models and recurrent neural networks have been developed and successfully applied to a wide-range of tasks, (ii) in process mining process discovery techniques aim to generate human-interpretable descriptive models, and (iii) in the grammar inference field the focus is on finding descriptive models in the form of formal grammars. Despite their different focuses, these fields share a common goal - learning a model that accurately describes the behavior in the underlying data. Those sequence models are generative, i.e, they can predict what elements are likely to occur after a given unfinished sequence. So far, these fields have developed mainly in isolation from each other and no comparison exists. This paper presents an interdisciplinary experimental evaluation that compares sequence modeling techniques on the task of next-element prediction on four real-life sequence datasets. The results indicate that machine learning techniques that generally have no aim at interpretability in terms of accuracy outperform techniques from the process mining and grammar inference fields that aim to yield interpretable models.

Language agents have achieved considerable performance on various complex tasks. Despite the incessant exploration in this field, existing language agent systems still struggle with costly, non-reproducible data reliance and face the challenge of compelling a single model for multiple functions. To this end, we introduce AutoAct, an automatic agent learning framework that does not rely on large-scale annotated data and synthetic trajectories from closed-source models (e.g., GPT-4). Given limited data with a tool library, AutoAct first automatically synthesizes planning trajectories without any assistance from humans or strong closed-source models. Then, AutoAct leverages a division-of-labor strategy to automatically differentiate based on the target task information and synthesized trajectories, producing a sub-agent group to complete the task. We conduct comprehensive experiments with different LLMs, which demonstrates that AutoAct yields better or parallel performance compared to various strong baselines. We even notice that AutoAct, when using the Llama-2-13b model, can achieve performance comparable to that of the GPT-3.5-Turbo agent. Code will be available at https://github.com/zjunlp/AutoAct.

Recent advances demonstrate that increasing inference-time computation can significantly boost the reasoning capabilities of large language models (LLMs). Although repeated sampling (i.e., generating multiple candidate outputs) is a highly effective strategy, it does not leverage external feedback signals for refinement, which are often available in tasks like coding. In this work, we propose Adaptive Branching Monte Carlo Tree Search (AB-MCTS), a novel inference-time framework that generalizes repeated sampling with principled multi-turn exploration and exploitation. At each node in the search tree, AB-MCTS dynamically decides whether to "go wider" by expanding new candidate responses or "go deeper" by revisiting existing ones based on external feedback signals. We evaluate our method on complex coding and engineering tasks using frontier models. Empirical results show that AB-MCTS consistently outperforms both repeated sampling and standard MCTS, underscoring the importance of combining the response diversity of LLMs with multi-turn solution refinement for effective inference-time scaling.

LLM agents enhanced by tree search algorithms have yielded notable performances in code generation. However, current search algorithms in this domain suffer from low search quality due to several reasons: 1) Ineffective design of the search space for the high-reasoning demands of code generation tasks, 2) Inadequate integration of code feedback with the search algorithm, and 3) Poor handling of negative feedback during the search, leading to reduced search efficiency and quality. To address these challenges, we propose to search for the reasoning process of the code and use the detailed feedback of code execution to refine erroneous thoughts during the search. In this paper, we introduce RethinkMCTS, which employs the Monte Carlo Tree Search (MCTS) algorithm to conduct thought-level searches before generating code, thereby exploring a wider range of strategies. More importantly, we construct verbal feedback from fine-grained code execution feedback to refine erroneous thoughts during the search. This ensures that the search progresses along the correct reasoning paths, thus improving the overall search quality of the tree by leveraging execution feedback. Through extensive experiments, we demonstrate that RethinkMCTS outperforms previous search-based and feedback-based code generation baselines. On the HumanEval dataset, it improves the pass@1 of GPT-3.5-turbo from 70.12 to 89.02 and GPT-4o-mini from 87.20 to 94.51. It effectively conducts more thorough exploration through thought-level searches and enhances the search quality of the entire tree by incorporating rethink operation.

Large Language Models (LLM) based agents have shown promise in autonomously completing tasks across various domains, e.g., robotics, games, and web navigation. However, these agents typically require elaborate design and expert prompts to solve tasks in specific domains, which limits their adaptability. We introduce AutoManual, a framework enabling LLM agents to autonomously build their understanding through interaction and adapt to new environments. AutoManual categorizes environmental knowledge into diverse rules and optimizes them in an online fashion by two agents: 1) The Planner codes actionable plans based on current rules for interacting with the environment. 2) The Builder updates the rules through a well-structured rule system that facilitates online rule management and essential detail retention. To mitigate hallucinations in managing rules, we introduce a *case-conditioned prompting* strategy for the Builder. Finally, the Formulator agent compiles these rules into a comprehensive manual. The self-generated manual can not only improve the adaptability but also guide the planning of smaller LLMs while being human-readable. Given only one simple demonstration, AutoManual significantly improves task success rates, achieving 97.4\% with GPT-4-turbo and 86.2\% with GPT-3.5-turbo on ALFWorld benchmark tasks. The code is available at https://github.com/minghchen/automanual.

We propose an online training procedure for a transformer-based automated theorem prover. Our approach leverages a new search algorithm, HyperTree Proof Search (HTPS), inspired by the recent success of AlphaZero. Our model learns from previous proof searches through online training, allowing it to generalize to domains far from the training distribution. We report detailed ablations of our pipeline's main components by studying performance on three environments of increasing complexity. In particular, we show that with HTPS alone, a model trained on annotated proofs manages to prove 65.4% of a held-out set of Metamath theorems, significantly outperforming the previous state of the art of 56.5% by GPT-f. Online training on these unproved theorems increases accuracy to 82.6%. With a similar computational budget, we improve the state of the art on the Lean-based miniF2F-curriculum dataset from 31% to 42% proving accuracy.

Current language models tailored for code tasks often adopt the pre-training-then-fine-tuning paradigm from natural language processing, modeling source code as plain text. This approach, however, overlooks the unambiguous structures inherent in programming languages. In this work, we explore data-efficient adaptation of pre-trained code models by further pre-training and fine-tuning them with program structures. Specifically, we represent programs as parse trees -- also known as concrete syntax trees (CSTs) -- and adapt pre-trained models on serialized CSTs. Although the models that we adapt have been pre-trained only on the surface form of programs, we find that a small amount of continual pre-training and fine-tuning on CSTs without changing the model architecture yields improvements over the baseline approach across various code tasks. The improvements are found to be particularly significant when there are limited training examples, demonstrating the effectiveness of integrating program structures with plain-text representation even when working with backbone models that have not been pre-trained with structures.

The objective is the design of a Cellular Automata rule that can form patterns with 'touching' loops. A loop is defined as a closed path of 1-cells in a 2D grid on a zero background and with a zero border. A path cell is connected with two of its adjacent neighbors. In touching loops a path cell is also allowed to touch another on a diagonal. A CA rule was designed that can evolve stable touching loop patterns. The rule tries to cover the 2D space by overlapping tiles. The rule uses so-called templates, 5 x 5 matching patterns which are systematically derived from the given set of 3 x 3 tiles. The rule checks the pattern being evolved against a list of templates. If the outer neighbors of a template match, then the cell's state is set to the template's center value. Noise is injected if there is no matching template, or the tiles are not properly assembled. Thereby the evolution is driven to the desired loop patterns.

In recent months, Language Models (LMs) have become a part of daily discourse, with focus on OpenAI and the potential of Artificial General Intelligence (AGI). Furthermore, the leaking of LLama's weights to the public has led to an influx of innovations demonstrating the impressive capabilities of generative LMs. While we believe that AGI is still a distant goal, we recognize the potential of LMs in solving tasks such as searching complex documents, compiling reports with basic analysis, and providing assistance in problem-solving. In this paper, we propose formalizing the execution model of language models. We investigate current execution models, to find that this formalism has received little attention, and present our contribution: the first formalized execution model for LMs. We introduce a new algorithm for sampling the predictions of LMs, which we use to build a reliable and inspectable execution model. We introduce a low-level language to write "cognitive program" for this execution model. We hope to shed light on the need for execution models for LMs and encourage further research in this area.

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing these workflows requires significant human effort, limiting scalability and generalizability. Recent research has sought to automate the generation and optimization of these workflows, but existing methods still rely on initial manual setup and fall short of achieving fully automated and effective workflow generation. To address this challenge, we reformulate workflow optimization as a search problem over code-represented workflows, where LLM-invoking nodes are connected by edges. We introduce AFlow, an automated framework that efficiently explores this space using Monte Carlo Tree Search, iteratively refining workflows through code modification, tree-structured experience, and execution feedback. Empirical evaluations across six benchmark datasets demonstrate AFlow's efficacy, yielding a 5.7% average improvement over state-of-the-art baselines. Furthermore, AFlow enables smaller models to outperform GPT-4o on specific tasks at 4.55% of its inference cost in dollars. The code will be available at https://github.com/geekan/MetaGPT.

We contribute to the study of formal languages that can be recognized by transformer encoders. We focus on two self-attention mechanisms: (1) UHAT (Unique Hard Attention Transformers) and (2) AHAT (Average Hard Attention Transformers). UHAT encoders are known to recognize only languages inside the circuit complexity class {sf AC}^0, i.e., accepted by a family of poly-sized and depth-bounded boolean circuits with unbounded fan-ins. On the other hand, AHAT encoders can recognize languages outside {sf AC}^0), but their expressive power still lies within the bigger circuit complexity class {sf TC}^0, i.e., {sf AC}^0-circuits extended by majority gates. We first show a negative result that there is an {sf AC}^0-language that cannot be recognized by an UHAT encoder. On the positive side, we show that UHAT encoders can recognize a rich fragment of {sf AC}^0-languages, namely, all languages definable in first-order logic with arbitrary unary numerical predicates. This logic, includes, for example, all regular languages from {sf AC}^0. We then show that AHAT encoders can recognize all languages of our logic even when we enrich it with counting terms. We apply these results to derive new results on the expressive power of UHAT and AHAT up to permutation of letters (a.k.a. Parikh images).

LLMs are widely used in complex AI applications. These applications underscore the need for LLM outputs to adhere to a specific format, for their integration with other components in the systems. Typically the format rules e.g., for data serialization formats such as JSON, YAML, or Code in Programming Language are expressed as context-free grammar (CFG). Due to the hallucinations and unreliability of LLMs, instructing LLMs to adhere to specified syntax becomes an increasingly important challenge. We present SynCode, a novel framework for efficient and general syntactical decoding with LLMs, to address this challenge. SynCode leverages the CFG of a formal language, utilizing an offline-constructed efficient lookup table called DFA mask store based on the discrete finite automaton (DFA) of the language grammar terminals. We demonstrate SynCode's soundness and completeness given the CFG of the formal language, presenting its ability to retain syntactically valid tokens while rejecting invalid ones. SynCode seamlessly integrates with any language defined by CFG, as evidenced by experiments focusing on generating JSON, Python, and Go outputs. Our experiments evaluating the effectiveness of SynCode for JSON generation demonstrate that SynCode eliminates all syntax errors and significantly outperforms state-of-the-art baselines. Furthermore, our results underscore how SynCode significantly reduces 96.07% of syntax errors in generated Python and Go code, showcasing its substantial impact on enhancing syntactical precision in LLM generation. Our code is available at https://github.com/uiuc-focal-lab/syncode

Solving mathematical problems using computer-verifiable languages like Lean has significantly impacted mathematical and computer science communities. State-of-the-art methods utilize single Large Language Models (LLMs) as agents or provers to either generate complete proof or perform tree searches. However, single-agent methods inherently lack a structured way to combine high-level reasoning in Natural Language (NL) with Formal Language (FL) verification feedback. To solve these issues, we propose MA-LoT: Multi-Agent Lean-based Long Chain-of-Thought framework, (to the best of our knowledge), the first multi-agent framework for Lean4 theorem proving that balance high-level NL reasoning and FL verification in Long CoT. Using this structured interaction, our approach enables deeper insights and long-term coherence in proof generation, with which past methods struggle. We do this by leveraging emergent formal reasoning ability in Long CoT using our novel LoT-Transfer Learning training-inference pipeline. Extensive experiments show that our framework achieves 54.51% accuracy rate on the Lean4 version of MiniF2F-Test dataset, largely outperforming GPT-4 (22.95%), single-agent tree search (InternLM-Step-Prover, 50.70%), and whole-proof generation (DeepSeek-Prover-v1.5, 48.36%) baselines. Furthermore, our findings highlight the potential of combining Long CoT with formal verification for a more insightful generation in a broader perspective.

Socratic questioning is an effective teaching strategy, encouraging critical thinking and problem-solving. The conversational capabilities of large language models (LLMs) show great potential for providing scalable, real-time student guidance. However, current LLMs often give away solutions directly, making them ineffective instructors. We tackle this issue in the code debugging domain with TreeInstruct, an Instructor agent guided by a novel state space-based planning algorithm. TreeInstruct asks probing questions to help students independently identify and resolve errors. It estimates a student's conceptual and syntactical knowledge to dynamically construct a question tree based on their responses and current knowledge state, effectively addressing both independent and dependent mistakes concurrently in a multi-turn interaction setting. In addition to using an existing single-bug debugging benchmark, we construct a more challenging multi-bug dataset of 150 coding problems, incorrect solutions, and bug fixes -- all carefully constructed and annotated by experts. Extensive evaluation shows TreeInstruct's state-of-the-art performance on both datasets, proving it to be a more effective instructor than baselines. Furthermore, a real-world case study with five students of varying skill levels further demonstrates TreeInstruct's ability to guide students to debug their code efficiently with minimal turns and highly Socratic questioning.

Decision trees are renowned for their interpretability capability to achieve high predictive performance, especially on tabular data. Traditionally, they are constructed through recursive algorithms, where they partition the data at every node in a tree. However, identifying the best partition is challenging, as decision trees optimized for local segments may not bring global generalization. To address this, we introduce MetaTree, which trains a transformer-based model on filtered outputs from classical algorithms to produce strong decision trees for classification. Specifically, we fit both greedy decision trees and optimized decision trees on a large number of datasets. We then train MetaTree to produce the trees that achieve strong generalization performance. This training enables MetaTree to not only emulate these algorithms, but also to intelligently adapt its strategy according to the context, thereby achieving superior generalization performance.

Despite the remarkable capabilities, Large Language Models (LLMs) face deployment challenges due to their extensive size. Pruning methods drop a subset of weights to accelerate, but many of them require retraining, which is prohibitively expensive and computationally demanding. Recently, post-training pruning approaches introduced novel metrics, enabling the pruning of LLMs without retraining. However, these metrics require the involvement of human experts and tedious trial and error. To efficiently identify superior pruning metrics, we develop an automatic framework for searching symbolic pruning metrics using genetic programming. In particular, we devise an elaborate search space encompassing the existing pruning metrics to discover the potential symbolic pruning metric. We propose an opposing operation simplification strategy to increase the diversity of the population. In this way, Pruner-Zero allows auto-generation of symbolic pruning metrics. Based on the searched results, we explore the correlation between pruning metrics and performance after pruning and summarize some principles. Extensive experiments on LLaMA and LLaMA-2 on language modeling and zero-shot tasks demonstrate that our Pruner-Zero obtains superior performance than SOTA post-training pruning methods. Code at: https://github.com/pprp/Pruner-Zero.

In the realm of machine learning, traditional model development and automated approaches like AutoML typically rely on layers of abstraction, such as tree-based or Cartesian genetic programming. Our study introduces "Guided Evolution" (GE), a novel framework that diverges from these methods by utilizing Large Language Models (LLMs) to directly modify code. GE leverages LLMs for a more intelligent, supervised evolutionary process, guiding mutations and crossovers. Our unique "Evolution of Thought" (EoT) technique further enhances GE by enabling LLMs to reflect on and learn from the outcomes of previous mutations. This results in a self-sustaining feedback loop that augments decision-making in model evolution. GE maintains genetic diversity, crucial for evolutionary algorithms, by leveraging LLMs' capability to generate diverse responses from expertly crafted prompts and modulate model temperature. This not only accelerates the evolution process but also injects expert like creativity and insight into the process. Our application of GE in evolving the ExquisiteNetV2 model demonstrates its efficacy: the LLM-driven GE autonomously produced variants with improved accuracy, increasing from 92.52% to 93.34%, without compromising model compactness. This underscores the potential of LLMs to accelerate the traditional model design pipeline, enabling models to autonomously evolve and enhance their own designs.

While Large Language Models (LLMs) display versatile functionality, they continue to generate harmful, biased, and toxic content, as demonstrated by the prevalence of human-designed jailbreaks. In this work, we present Tree of Attacks with Pruning (TAP), an automated method for generating jailbreaks that only requires black-box access to the target LLM. TAP utilizes an LLM to iteratively refine candidate (attack) prompts using tree-of-thoughts reasoning until one of the generated prompts jailbreaks the target. Crucially, before sending prompts to the target, TAP assesses them and prunes the ones unlikely to result in jailbreaks. Using tree-of-thought reasoning allows TAP to navigate a large search space of prompts and pruning reduces the total number of queries sent to the target. In empirical evaluations, we observe that TAP generates prompts that jailbreak state-of-the-art LLMs (including GPT4 and GPT4-Turbo) for more than 80% of the prompts using only a small number of queries. This significantly improves upon the previous state-of-the-art black-box method for generating jailbreaks.

Machine learning research has advanced in multiple aspects, including model structures and learning methods. The effort to automate such research, known as AutoML, has also made significant progress. However, this progress has largely focused on the architecture of neural networks, where it has relied on sophisticated expert-designed layers as building blocks---or similarly restrictive search spaces. Our goal is to show that AutoML can go further: it is possible today to automatically discover complete machine learning algorithms just using basic mathematical operations as building blocks. We demonstrate this by introducing a novel framework that significantly reduces human bias through a generic search space. Despite the vastness of this space, evolutionary search can still discover two-layer neural networks trained by backpropagation. These simple neural networks can then be surpassed by evolving directly on tasks of interest, e.g. CIFAR-10 variants, where modern techniques emerge in the top algorithms, such as bilinear interactions, normalized gradients, and weight averaging. Moreover, evolution adapts algorithms to different task types: e.g., dropout-like techniques appear when little data is available. We believe these preliminary successes in discovering machine learning algorithms from scratch indicate a promising new direction for the field.

Learning effective representations of source code is critical for any Machine Learning for Software Engineering (ML4SE) system. Inspired by natural language processing, large language models (LLMs) like Codex and CodeGen treat code as generic sequences of text and are trained on huge corpora of code data, achieving state of the art performance on several software engineering (SE) tasks. However, valid source code, unlike natural language, follows a strict structure and pattern governed by the underlying grammar of the programming language. Current LLMs do not exploit this property of the source code as they treat code like a sequence of tokens and overlook key structural and semantic properties of code that can be extracted from code-views like the Control Flow Graph (CFG), Data Flow Graph (DFG), Abstract Syntax Tree (AST), etc. Unfortunately, the process of generating and integrating code-views for every programming language is cumbersome and time consuming. To overcome this barrier, we propose our tool COMEX - a framework that allows researchers and developers to create and combine multiple code-views which can be used by machine learning (ML) models for various SE tasks. Some salient features of our tool are: (i) it works directly on source code (which need not be compilable), (ii) it currently supports Java and C#, (iii) it can analyze both method-level snippets and program-level snippets by using both intra-procedural and inter-procedural analysis, and (iv) it is easily extendable to other languages as it is built on tree-sitter - a widely used incremental parser that supports over 40 languages. We believe this easy-to-use code-view generation and customization tool will give impetus to research in source code representation learning methods and ML4SE. Tool: https://pypi.org/project/comex - GitHub: https://github.com/IBM/tree-sitter-codeviews - Demo: https://youtu.be/GER6U87FVbU

Symbolic regression plays a crucial role in modern scientific research thanks to its capability of discovering concise and interpretable mathematical expressions from data. A grand challenge lies in the arduous search for parsimonious and generalizable mathematical formulas, in an infinite search space, while intending to fit the training data. Existing algorithms have faced a critical bottleneck of accuracy and efficiency over a decade when handling problems of complexity, which essentially hinders the pace of applying symbolic regression for scientific exploration across interdisciplinary domains. To this end, we introduce a parallelized tree search (PTS) model to efficiently distill generic mathematical expressions from limited data. Through a series of extensive experiments, we demonstrate the superior accuracy and efficiency of PTS for equation discovery, which greatly outperforms the state-of-the-art baseline models on over 80 synthetic and experimental datasets (e.g., lifting its performance by up to 99% accuracy improvement and one-order of magnitude speed up). PTS represents a key advance in accurate and efficient data-driven discovery of symbolic, interpretable models (e.g., underlying physical laws) and marks a pivotal transition towards scalable symbolic learning.

Recent advancements in large language models (LLMs) have spurred growing interest in automatic theorem proving using Lean4, where effective tree search methods are crucial for navigating proof search spaces. While the existing approaches primarily rely on value functions and Monte Carlo Tree Search (MCTS), the potential of simpler methods like Best-First Search (BFS) remains underexplored. This paper investigates whether BFS can achieve competitive performance in large-scale theorem proving tasks. We present BFS-Prover, a scalable expert iteration framework, featuring three key innovations. First, we implement strategic data filtering at each expert iteration round, excluding problems solvable via beam search node expansion to focus on harder cases. Second, we improve the sample efficiency of BFS through Direct Preference Optimization (DPO) applied to state-tactic pairs automatically annotated with compiler error feedback, refining the LLM's policy to prioritize productive expansions. Third, we employ length normalization in BFS to encourage exploration of deeper proof paths. BFS-Prover achieves a score of 71.31 on the MiniF2F test set and therefore challenges the perceived necessity of complex tree search methods, demonstrating that BFS can achieve competitive performance when properly scaled.

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and experimentation. Language agents are promising for automating intellectual tasks in science because they can interact with tools via natural language or code. Yet their flexibility creates conceptual and practical challenges for software implementations, since agents may comprise non-standard components such as internal reasoning, planning, tool usage, as well as the inherent stochasticity of temperature-sampled language models. Here, we introduce Aviary, an extensible gymnasium for language agents. We formalize agents as policies solving language-grounded partially observable Markov decision processes, which we term language decision processes. We then implement five environments, including three challenging scientific environments: (1) manipulating DNA constructs for molecular cloning, (2) answering research questions by accessing scientific literature, and (3) engineering protein stability. These environments were selected for their focus on multi-step reasoning and their relevance to contemporary biology research. Finally, with online training and scaling inference-time compute, we show that language agents backed by open-source, non-frontier LLMs can match and exceed both frontier LLM agents and human experts on multiple tasks at up to 100x lower inference cost.

Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to enhance their reasoning capabilities on complex tasks, thus taking on the role of intelligent agents interacting with the real world. The recently introduced ToolLLaMA model by Qin et al. [2024] utilizes the depth-first search-based decision tree (DFSDT) method for reasoning with 16000+ real-world APIs, which effectively improves the planning and inferencing performance of tool-augmented LLMs compared to traditional chain reasoning approaches. However, their approach only employs successful paths from decision trees (also called inference trees) for supervised fine-tuning (SFT) during training, which does not fully exploit the advantages of the tree of thought. In this study, we propose an inference trajectory optimization framework based on the preference data extracted from decision trees to address this limitation. We first introduce a novel method for constructing preference data from the tree of thought, capitalizing on the failed explorations previously overlooked in the trees. Specifically, we generate an effective step-wise preference dataset, named ToolPreference, for tool use based on the ToolBench dataset. In the subsequent training phase, we first fine-tune the LLM with tool-usage expert trajectories and then use these step-wise preference pairs for direct preference optimization (DPO) to update the policy of the LLM, resulting in our ToolPrefer-LLaMA (TP-LLaMA) model. Our experiments demonstrate that by obtaining insights from errors in inference trees, TP-LLaMA significantly outperforms the baselines across almost all test scenarios by a large margin and exhibits better generalization capabilities with unseen APIs. At the same time, TP-LLaMA has also demonstrated superior reasoning efficiency compared to the baselines, making it more suitable for complex tool-usage reasoning tasks.

Given the generational gap in available hardware between lay practitioners and the most endowed institutions, LLMs are becoming increasingly inaccessible as they grow in size. Whilst many approaches have been proposed to compress LLMs to make their resource consumption manageable, these methods themselves tend to be resource intensive, putting them out of the reach of the very user groups they target. In this work, we explore the problem of structured pruning of LLMs using only forward passes. We seek to empower practitioners to prune models so large that their available hardware has just enough memory to run inference. We develop Bonsai, a gradient-free, perturbative pruning method capable of delivering small, fast, and accurate pruned models. We observe that Bonsai outputs pruned models that (i) outperform those generated by more expensive gradient-based structured pruning methods, and (ii) are twice as fast (with comparable accuracy) as those generated by semi-structured pruning methods requiring comparable resources as Bonsai. We also leverage Bonsai to produce a new sub-2B model using a single A6000 that yields state-of-the-art performance on 4/6 tasks on the Huggingface Open LLM leaderboard.

Creating a system that can have meaningful conversations with humans to help accomplish tasks is one of the ultimate goals of Artificial Intelligence (AI). It has defined the meaning of AI since the beginning. A lot has been accomplished in this area recently, with voice assistant products entering our daily lives and chat bot systems becoming commonplace in customer service. At first glance there seems to be no shortage of options for dialogue systems. However, the frequently deployed dialogue systems today seem to all struggle with a critical weakness - they are hard to build and harder to maintain. At the core of the struggle is the need to script every single turn of interactions between the bot and the human user. This makes the dialogue systems more difficult to maintain as the tasks become more complex and more tasks are added to the system. In this paper, we propose Converse, a flexible tree-based modular task-oriented dialogue system. Converse uses an and-or tree structure to represent tasks and offers powerful multi-task dialogue management. Converse supports task dependency and task switching, which are unique features compared to other open-source dialogue frameworks. At the same time, Converse aims to make the bot building process easy and simple, for both professional and non-professional software developers. The code is available at https://github.com/salesforce/Converse.

Web automation is a significant technique that accomplishes complicated web tasks by automating common web actions, enhancing operational efficiency, and reducing the need for manual intervention. Traditional methods, such as wrappers, suffer from limited adaptability and scalability when faced with a new website. On the other hand, generative agents empowered by large language models (LLMs) exhibit poor performance and reusability in open-world scenarios. In this work, we introduce a crawler generation task for vertical information web pages and the paradigm of combining LLMs with crawlers, which helps crawlers handle diverse and changing web environments more efficiently. We propose AutoCrawler, a two-stage framework that leverages the hierarchical structure of HTML for progressive understanding. Through top-down and step-back operations, AutoCrawler can learn from erroneous actions and continuously prune HTML for better action generation. We conduct comprehensive experiments with multiple LLMs and demonstrate the effectiveness of our framework. Resources of this paper can be found at https://github.com/EZ-hwh/AutoCrawler

The LLM-as-a-Judge paradigm shows promise for evaluating generative content but lacks reliability in reasoning-intensive scenarios, such as programming. Inspired by recent advances in reasoning models and shifts in scaling laws, we pioneer bringing test-time computation into LLM-as-a-Judge, proposing MCTS-Judge, a resource-efficient, System-2 thinking framework for code correctness evaluation. MCTS-Judge leverages Monte Carlo Tree Search (MCTS) to decompose problems into simpler, multi-perspective evaluations. Through a node-selection strategy that combines self-assessment based on historical actions in the current trajectory and the Upper Confidence Bound for Trees based on prior rollouts, MCTS-Judge balances global optimization and refinement of the current trajectory. We further designed a high-precision, unit-test-level reward mechanism to encourage the Large Language Model (LLM) to perform line-by-line analysis. Extensive experiments on three benchmarks and five LLMs demonstrate the effectiveness of MCTS-Judge, which improves the base model's accuracy from 41% to 80%, surpassing the o1-series models with 3x fewer tokens. Further evaluations validate the superiority of its reasoning trajectory in logic, analytics, thoroughness, and overall quality, while revealing the test-time scaling law of the LLM-as-a-Judge paradigm.

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

Recent large-scale neural autoregressive sequence models have shown impressive performances on a variety of natural language generation tasks. However, their generated sequences often exhibit degenerate properties such as non-termination, undesirable repetition, and premature termination, when generated with decoding algorithms such as greedy search, beam search, top-k sampling, and nucleus sampling. In this paper, we focus on the problem of non-terminating sequences resulting from an incomplete decoding algorithm. We first define an incomplete probable decoding algorithm which includes greedy search, top-k sampling, and nucleus sampling, beyond the incomplete decoding algorithm originally put forward by Welleck et al. (2020). We then propose a non-monotonic self-terminating language model, which significantly relaxes the constraint of monotonically increasing termination probability in the originally proposed self-terminating language model by Welleck et al. (2020), to address the issue of non-terminating sequences when using incomplete probable decoding algorithms. We prove that our proposed model prevents non-terminating sequences when using not only incomplete probable decoding algorithms but also beam search. We empirically validate our model on sequence completion tasks with various architectures.

The ability of large language models (LLMs) to mimic human-like intelligence has led to a surge in LLM-based autonomous agents. Though recent LLMs seem capable of planning and reasoning given user instructions, their effectiveness in applying these capabilities for autonomous task solving remains underexplored. This is especially true in enterprise settings, where automated agents hold the promise of a high impact. To fill this gap, we propose WorkArena++, a novel benchmark consisting of 682 tasks corresponding to realistic workflows routinely performed by knowledge workers. WorkArena++ is designed to evaluate the planning, problem-solving, logical/arithmetic reasoning, retrieval, and contextual understanding abilities of web agents. Our empirical studies across state-of-the-art LLMs and vision-language models (VLMs), as well as human workers, reveal several challenges for such models to serve as useful assistants in the workplace. In addition to the benchmark, we provide a mechanism to effortlessly generate thousands of ground-truth observation/action traces, which can be used for fine-tuning existing models. Overall, we expect this work to serve as a useful resource to help the community progress toward capable autonomous agents. The benchmark can be found at https://github.com/ServiceNow/WorkArena/tree/workarena-plus-plus.

In this paper, we introduce the Tree-of-Thought (ToT) framework, a novel approach aimed at improving the problem-solving capabilities of auto-regressive large language models (LLMs). The ToT technique is inspired by the human mind's approach for solving complex reasoning tasks through trial and error. In this process, the human mind explores the solution space through a tree-like thought process, allowing for backtracking when necessary. To implement ToT as a software system, we augment an LLM with additional modules including a prompter agent, a checker module, a memory module, and a ToT controller. In order to solve a given problem, these modules engage in a multi-round conversation with the LLM. The memory module records the conversation and state history of the problem solving process, which allows the system to backtrack to the previous steps of the thought-process and explore other directions from there. To verify the effectiveness of the proposed technique, we implemented a ToT-based solver for the Sudoku Puzzle. Experimental results show that the ToT framework can significantly increase the success rate of Sudoku puzzle solving. Our implementation of the ToT-based Sudoku solver is available on GitHub: https://github.com/jieyilong/tree-of-thought-puzzle-solver.

We release and introduce the TigerBot family of large language models (LLMs), consisting of base and chat models, sized from 7, 13, 70 and 180 billion parameters. We develop our models embarking from Llama-2 and BLOOM, and push the boundary further in data, training algorithm, infrastructure, and application tools. Our models yield meaningful performance gain over SOTA open-source models, e.g., Llama-2, specifically 6\% gain in English and 20\% gain in Chinese. TigerBot model family also achieves leading performance in major academic and industrial benchmarks and leaderboards. We believe that TigerBot represents just a snapshot of lightning-fast progression in LLM open-source community. Therefore, we are thrilled to give back by publicly releasing our models and reporting our approach behind, with additional emphases on building SOTA LLMs in a democratized way and making LLMs of use in real-world applications.

Semantic role labeling (SRL) is a fundamental yet challenging task in the NLP community. Recent works of SRL mainly fall into two lines: 1) BIO-based; 2) span-based. Despite ubiquity, they share some intrinsic drawbacks of not considering internal argument structures, potentially hindering the model's expressiveness. The key challenge is arguments are flat structures, and there are no determined subtree realizations for words inside arguments. To remedy this, in this paper, we propose to regard flat argument spans as latent subtrees, accordingly reducing SRL to a tree parsing task. In particular, we equip our formulation with a novel span-constrained TreeCRF to make tree structures span-aware and further extend it to the second-order case. We conduct extensive experiments on CoNLL05 and CoNLL12 benchmarks. Results reveal that our methods perform favorably better than all previous syntax-agnostic works, achieving new state-of-the-art under both end-to-end and w/ gold predicates settings.

Building agents based on tree-search planning capabilities with learned models has achieved remarkable success in classic decision-making problems, such as Go and Atari. However, it has been deemed challenging or even infeasible to extend Monte Carlo Tree Search (MCTS) based algorithms to diverse real-world applications, especially when these environments involve complex action spaces and significant simulation costs, or inherent stochasticity. In this work, we introduce LightZero, the first unified benchmark for deploying MCTS/MuZero in general sequential decision scenarios. Specificially, we summarize the most critical challenges in designing a general MCTS-style decision-making solver, then decompose the tightly-coupled algorithm and system design of tree-search RL methods into distinct sub-modules. By incorporating more appropriate exploration and optimization strategies, we can significantly enhance these sub-modules and construct powerful LightZero agents to tackle tasks across a wide range of domains, such as board games, Atari, MuJoCo, MiniGrid and GoBigger. Detailed benchmark results reveal the significant potential of such methods in building scalable and efficient decision intelligence. The code is available as part of OpenDILab at https://github.com/opendilab/LightZero.

Foundation models of time series have not been fully developed due to the limited availability of time series corpora and the underexploration of scalable pre-training. Based on the similar sequential formulation of time series and natural language, increasing research demonstrates the feasibility of leveraging large language models (LLM) for time series. Nevertheless, the inherent autoregressive property and decoder-only architecture of LLMs have not been fully considered, resulting in insufficient utilization of LLM abilities. To fully revitalize the general-purpose token transition and multi-step generation capability of large language models, we propose AutoTimes to repurpose LLMs as autoregressive time series forecasters, which projects time series into the embedding space of language tokens and autoregressively generates future predictions with arbitrary lengths. Compatible with any decoder-only LLMs, the consequent forecaster exhibits the flexibility of the lookback length and scalability with larger LLMs. Further, we formulate time series as prompts, extending the context for prediction beyond the lookback window, termed in-context forecasting. By introducing LLM-embedded textual timestamps, AutoTimes can utilize chronological information to align multivariate time series. Empirically, AutoTimes achieves state-of-the-art with 0.1% trainable parameters and over 5times training/inference speedup compared to advanced LLM-based forecasters. Code is available at this repository: https://github.com/thuml/AutoTimes.

The Automunge open source python library platform for tabular data pre-processing automates feature engineering data transformations of numerical encoding and missing data infill to received tidy data on bases fit to properties of columns in a designated train set for consistent and efficient application to subsequent data pipelines such as for inference, where transformations may be applied to distinct columns in "family tree" sets with generations and branches of derivations. Included in the library of transformations are methods to extract structure from bounded categorical string sets by way of automated string parsing, in which comparisons between entries in the set of unique values are parsed to identify character subset overlaps which may be encoded by appended columns of boolean overlap detection activations or by replacing string entries with identified overlap partitions. Further string parsing options, which may also be applied to unbounded categoric sets, include extraction of numeric substring partitions from entries or search functions to identify presence of specified substring partitions. The aggregation of these methods into "family tree" sets of transformations are demonstrated for use to automatically extract structure from categoric string compositions in relation to the set of entries in a column, such as may be applied to prepare categoric string set encodings for machine learning without human intervention.

The ability of large language models (LLMs) to follow instructions is crucial to real-world applications. Despite recent advances, several studies have highlighted that LLMs struggle when faced with challenging instructions, especially those that include complex constraints, hindering their effectiveness in various tasks. To address this challenge, we introduce Conifer, a novel instruction tuning dataset, designed to enhance LLMs to follow multi-level instructions with complex constraints. Utilizing GPT-4, we curate the dataset by a series of LLM-driven refinement processes to ensure high quality. We also propose a progressive learning scheme that emphasizes an easy-to-hard progression, and learning from process feedback. Models trained with Conifer exhibit remarkable improvements in instruction-following abilities, especially for instructions with complex constraints. On several instruction-following benchmarks, our 7B model outperforms the state-of-the-art open-source 7B models, even exceeds the performance of models 10 times larger on certain metrics. All the code and Conifer dataset are available at https://www.github.com/ConiferLM/Conifer.

Language agents powered by large language models (LLMs) have seen exploding development. Their capability of using language as a vehicle for thought and communication lends an incredible level of flexibility and versatility. People have quickly capitalized on this capability to connect LLMs to a wide range of external components and environments: databases, tools, the Internet, robotic embodiment, etc. Many believe an unprecedentedly powerful automation technology is emerging. However, new automation technologies come with new safety risks, especially for intricate systems like language agents. There is a surprisingly large gap between the speed and scale of their development and deployment and our understanding of their safety risks. Are we building a house of cards? In this position paper, we present the first systematic effort in mapping adversarial attacks against language agents. We first present a unified conceptual framework for agents with three major components: Perception, Brain, and Action. Under this framework, we present a comprehensive discussion and propose 12 potential attack scenarios against different components of an agent, covering different attack strategies (e.g., input manipulation, adversarial demonstrations, jailbreaking, backdoors). We also draw connections to successful attack strategies previously applied to LLMs. We emphasize the urgency to gain a thorough understanding of language agent risks before their widespread deployment.

We observe that pre-trained large language models (LLMs) are capable of autoregressively completing complex token sequences -- from arbitrary ones procedurally generated by probabilistic context-free grammars (PCFG), to more rich spatial patterns found in the Abstract Reasoning Corpus (ARC), a general AI benchmark, prompted in the style of ASCII art. Surprisingly, pattern completion proficiency can be partially retained even when the sequences are expressed using tokens randomly sampled from the vocabulary. These results suggest that without any additional training, LLMs can serve as general sequence modelers, driven by in-context learning. In this work, we investigate how these zero-shot capabilities may be applied to problems in robotics -- from extrapolating sequences of numbers that represent states over time to complete simple motions, to least-to-most prompting of reward-conditioned trajectories that can discover and represent closed-loop policies (e.g., a stabilizing controller for CartPole). While difficult to deploy today for real systems due to latency, context size limitations, and compute costs, the approach of using LLMs to drive low-level control may provide an exciting glimpse into how the patterns among words could be transferred to actions.

Neural sequence-to-sequence models provide a competitive approach to the task of mapping a question in natural language to an SQL query, also referred to as text-to-SQL generation. The Byte-Pair Encoding algorithm (BPE) has previously been used to improve machine translation (MT) between natural languages. In this work, we adapt BPE for text-to-SQL generation. As the datasets for this task are rather small compared to MT, we present a novel stopping criterion that prevents overfitting the BPE encoding to the training set. Additionally, we present AST BPE, which is a version of BPE that uses the Abstract Syntax Tree (AST) of the SQL statement to guide BPE merges and therefore produce BPE encodings that generalize better. We improved the accuracy of a strong attentive seq2seq baseline on five out of six English text-to-SQL tasks while reducing training time by more than 50% on four of them due to the shortened targets. Finally, on two of these tasks we exceeded previously reported accuracies.

We propose SC-MCTS*: a novel Monte Carlo Tree Search (MCTS) reasoning algorithm for Large Language Models (LLMs), significantly improves both reasoning accuracy and speed. Our motivation comes from: 1. Previous MCTS LLM reasoning works often overlooked its biggest drawback--slower speed compared to CoT; 2. Previous research mainly used MCTS as a tool for LLM reasoning on various tasks with limited quantitative analysis or ablation studies of its components from reasoning interpretability perspective. 3. The reward model is the most crucial component in MCTS, however previous work has rarely conducted in-depth study or improvement of MCTS's reward models. Thus, we conducted extensive ablation studies and quantitative analysis on components of MCTS, revealing the impact of each component on the MCTS reasoning performance of LLMs. Building on this, (i) we designed a highly interpretable reward model based on the principle of contrastive decoding and (ii) achieved an average speed improvement of 51.9% per node using speculative decoding. Additionally, (iii) we improved UCT node selection strategy and backpropagation used in previous works, resulting in significant performance improvement. We outperformed o1-mini by an average of 17.4% on the Blocksworld multi-step reasoning dataset using Llama-3.1-70B with SC-MCTS*. Our code is available at https://github.com/zitian-gao/SC-MCTS.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

In nature, the behaviors of many complex systems can be described by parsimonious math equations. Automatically distilling these equations from limited data is cast as a symbolic regression process which hitherto remains a grand challenge. Keen efforts in recent years have been placed on tackling this issue and demonstrated success in symbolic regression. However, there still exist bottlenecks that current methods struggle to break when the discrete search space tends toward infinity and especially when the underlying math formula is intricate. To this end, we propose a novel Reinforcement Symbolic Regression Machine (RSRM) that masters the capability of uncovering complex math equations from only scarce data. The RSRM model is composed of three key modules: (1) a Monte Carlo tree search (MCTS) agent that explores optimal math expression trees consisting of pre-defined math operators and variables, (2) a Double Q-learning block that helps reduce the feasible search space of MCTS via properly understanding the distribution of reward, and (3) a modulated sub-tree discovery block that heuristically learns and defines new math operators to improve representation ability of math expression trees. Biding of these modules yields the state-of-the-art performance of RSRM in symbolic regression as demonstrated by multiple sets of benchmark examples. The RSRM model shows clear superiority over several representative baseline models.

We propose an intuitive LLM prompting framework (AgentKit) for multifunctional agents. AgentKit offers a unified framework for explicitly constructing a complex "thought process" from simple natural language prompts. The basic building block in AgentKit is a node, containing a natural language prompt for a specific subtask. The user then puts together chains of nodes, like stacking LEGO pieces. The chains of nodes can be designed to explicitly enforce a naturally structured "thought process". For example, for the task of writing a paper, one may start with the thought process of 1) identify a core message, 2) identify prior research gaps, etc. The nodes in AgentKit can be designed and combined in different ways to implement multiple advanced capabilities including on-the-fly hierarchical planning, reflection, and learning from interactions. In addition, due to the modular nature and the intuitive design to simulate explicit human thought process, a basic agent could be implemented as simple as a list of prompts for the subtasks and therefore could be designed and tuned by someone without any programming experience. Quantitatively, we show that agents designed through AgentKit achieve SOTA performance on WebShop and Crafter. These advances underscore AgentKit's potential in making LLM agents effective and accessible for a wider range of applications. https://github.com/holmeswww/AgentKit

Leveraging large language models (LLMs), autonomous agents have significantly improved, gaining the ability to handle a variety of tasks. In open-ended settings, optimizing collaboration for efficiency and effectiveness demands flexible adjustments. Despite this, current research mainly emphasizes fixed, task-oriented workflows and overlooks agent-centric organizational structures. Drawing inspiration from human organizational behavior, we introduce a self-organizing agent system (S-Agents) with a "tree of agents" structure for dynamic workflow, an "hourglass agent architecture" for balancing information priorities, and a "non-obstructive collaboration" method to allow asynchronous task execution among agents. This structure can autonomously coordinate a group of agents, efficiently addressing the challenges of an open and dynamic environment without human intervention. Our experiments demonstrate that S-Agents proficiently execute collaborative building tasks and resource collection in the Minecraft environment, validating their effectiveness.

Business Intelligence (BI) is crucial in modern enterprises and billion-dollar business. Traditionally, technical experts like database administrators would manually prepare BI-models (e.g., in star or snowflake schemas) that join tables in data warehouses, before less-technical business users can run analytics using end-user dashboarding tools. However, the popularity of self-service BI (e.g., Tableau and Power-BI) in recent years creates a strong demand for less technical end-users to build BI-models themselves. We develop an Auto-BI system that can accurately predict BI models given a set of input tables, using a principled graph-based optimization problem we propose called k-Min-Cost-Arborescence (k-MCA), which holistically considers both local join prediction and global schema-graph structures, leveraging a graph-theoretical structure called arborescence. While we prove k-MCA is intractable and inapproximate in general, we develop novel algorithms that can solve k-MCA optimally, which is shown to be efficient in practice with sub-second latency and can scale to the largest BI-models we encounter (with close to 100 tables). Auto-BI is rigorously evaluated on a unique dataset with over 100K real BI models we harvested, as well as on 4 popular TPC benchmarks. It is shown to be both efficient and accurate, achieving over 0.9 F1-score on both real and synthetic benchmarks.

The advent of large language models (LLMs) has spurred considerable interest in advancing autonomous LLMs-based agents, particularly in intriguing applications within smartphone graphical user interfaces (GUIs). When presented with a task goal, these agents typically emulate human actions within a GUI environment until the task is completed. However, a key challenge lies in devising effective plans to guide action prediction in GUI tasks, though planning have been widely recognized as effective for decomposing complex tasks into a series of steps. Specifically, given the dynamic nature of environmental GUIs following action execution, it is crucial to dynamically adapt plans based on environmental feedback and action history.We show that the widely-used ReAct approach fails due to the excessively long historical dialogues. To address this challenge, we propose a novel approach called Dynamic Planning of Thoughts (D-PoT) for LLM-based GUI agents.D-PoT involves the dynamic adjustment of planning based on the environmental feedback and execution history. Experimental results reveal that the proposed D-PoT significantly surpassed the strong GPT-4V baseline by +12.7% (34.66% rightarrow 47.36%) in accuracy. The analysis highlights the generality of dynamic planning in different backbone LLMs, as well as the benefits in mitigating hallucinations and adapting to unseen tasks. Code is available at https://github.com/sqzhang-lazy/D-PoT.

To harness the power of large language models in safety-critical domains we need to ensure the explainability of their predictions. However, despite the significant attention to model interpretability, there remains an unexplored domain in explaining sequence-to-sequence tasks using methods tailored for textual data. This paper introduces SyntaxShap, a local, model-agnostic explainability method for text generation that takes into consideration the syntax in the text data. The presented work extends Shapley values to account for parsing-based syntactic dependencies. Taking a game theoric approach, SyntaxShap only considers coalitions constraint by the dependency tree. We adopt a model-based evaluation to compare SyntaxShap and its weighted form to state-of-the-art explainability methods adapted to text generation tasks, using diverse metrics including faithfulness, complexity, coherency, and semantic alignment of the explanations to the model. We show that our syntax-aware method produces explanations that help build more faithful, coherent, and interpretable explanations for predictions by autoregressive models.

Database administrators (DBAs) play a crucial role in managing, maintaining and optimizing a database system to ensure data availability, performance, and reliability. However, it is hard and tedious for DBAs to manage a large number of database instances (e.g., millions of instances on the cloud databases). Recently large language models (LLMs) have shown great potential to understand valuable documents and accordingly generate reasonable answers. Thus, we propose D-Bot, a LLM-based database administrator that can continuously acquire database maintenance experience from textual sources, and provide reasonable, well-founded, in-time diagnosis and optimization advice for target databases. This paper presents a revolutionary LLM-centric framework for database maintenance, including (i) database maintenance knowledge detection from documents and tools, (ii) tree of thought reasoning for root cause analysis, and (iii) collaborative diagnosis among multiple LLMs. Our preliminary experimental results that D-Bot can efficiently and effectively diagnose the root causes and our code is available at github.com/TsinghuaDatabaseGroup/DB-GPT.

In this report, we explore the ability of language model agents to acquire resources, create copies of themselves, and adapt to novel challenges they encounter in the wild. We refer to this cluster of capabilities as "autonomous replication and adaptation" or ARA. We believe that systems capable of ARA could have wide-reaching and hard-to-anticipate consequences, and that measuring and forecasting ARA may be useful for informing measures around security, monitoring, and alignment. Additionally, once a system is capable of ARA, placing bounds on a system's capabilities may become significantly more difficult. We construct four simple example agents that combine language models with tools that allow them to take actions in the world. We then evaluate these agents on 12 tasks relevant to ARA. We find that these language model agents can only complete the easiest tasks from this list, although they make some progress on the more challenging tasks. Unfortunately, these evaluations are not adequate to rule out the possibility that near-future agents will be capable of ARA. In particular, we do not think that these evaluations provide good assurance that the ``next generation'' of language models (e.g. 100x effective compute scaleup on existing models) will not yield agents capable of ARA, unless intermediate evaluations are performed during pretraining. Relatedly, we expect that fine-tuning of the existing models could produce substantially more competent agents, even if the fine-tuning is not directly targeted at ARA.

While large language models (LLMs) have demonstrated impressive performance on a range of decision-making tasks, they rely on simple acting processes and fall short of broad deployment as autonomous agents. We introduce LATS (Language Agent Tree Search), a general framework that synergizes the capabilities of LLMs in planning, acting, and reasoning. Drawing inspiration from Monte Carlo tree search in model-based reinforcement learning, LATS employs LLMs as agents, value functions, and optimizers, repurposing their latent strengths for enhanced decision-making. What is crucial in this method is the use of an environment for external feedback, which offers a more deliberate and adaptive problem-solving mechanism that moves beyond the limitations of existing techniques. Our experimental evaluation across diverse domains, such as programming, HotPotQA, and WebShop, illustrates the applicability of LATS for both reasoning and acting. In particular, LATS achieves 94.4\% for programming on HumanEval with GPT-4 and an average score of 75.9 for web browsing on WebShop with GPT-3.5, demonstrating the effectiveness and generality of our method.

Task planning for robotic cooking involves generating a sequence of actions for a robot to prepare a meal successfully. This paper introduces a novel task tree generation pipeline producing correct planning and efficient execution for cooking tasks. Our method first uses a large language model (LLM) to retrieve recipe instructions and then utilizes a fine-tuned GPT-3 to convert them into a task tree, capturing sequential and parallel dependencies among subtasks. The pipeline then mitigates the uncertainty and unreliable features of LLM outputs using task tree retrieval. We combine multiple LLM task tree outputs into a graph and perform a task tree retrieval to avoid questionable nodes and high-cost nodes to improve planning correctness and improve execution efficiency. Our evaluation results show its superior performance compared to previous works in task planning accuracy and efficiency.

Autonomous agents have made great strides in specialist domains like Atari games and Go. However, they typically learn tabula rasa in isolated environments with limited and manually conceived objectives, thus failing to generalize across a wide spectrum of tasks and capabilities. Inspired by how humans continually learn and adapt in the open world, we advocate a trinity of ingredients for building generalist agents: 1) an environment that supports a multitude of tasks and goals, 2) a large-scale database of multimodal knowledge, and 3) a flexible and scalable agent architecture. We introduce MineDojo, a new framework built on the popular Minecraft game that features a simulation suite with thousands of diverse open-ended tasks and an internet-scale knowledge base with Minecraft videos, tutorials, wiki pages, and forum discussions. Using MineDojo's data, we propose a novel agent learning algorithm that leverages large pre-trained video-language models as a learned reward function. Our agent is able to solve a variety of open-ended tasks specified in free-form language without any manually designed dense shaping reward. We open-source the simulation suite, knowledge bases, algorithm implementation, and pretrained models (https://minedojo.org) to promote research towards the goal of generally capable embodied agents.

Recent efforts have augmented large language models (LLMs) with external resources (e.g., the Internet) or internal control flows (e.g., prompt chaining) for tasks requiring grounding or reasoning, leading to a new class of language agents. While these agents have achieved substantial empirical success, we lack a systematic framework to organize existing agents and plan future developments. In this paper, we draw on the rich history of cognitive science and symbolic artificial intelligence to propose Cognitive Architectures for Language Agents (CoALA). CoALA describes a language agent with modular memory components, a structured action space to interact with internal memory and external environments, and a generalized decision-making process to choose actions. We use CoALA to retrospectively survey and organize a large body of recent work, and prospectively identify actionable directions towards more capable agents. Taken together, CoALA contextualizes today's language agents within the broader history of AI and outlines a path towards language-based general intelligence.

LLMs exhibit advanced reasoning capabilities, offering the potential to transform natural language questions into mathematical models. However, existing open-source datasets in operations research domain lack detailed annotations of the modeling process, such as variable definitions, focusing solely on objective values, which hinders reinforcement learning applications. To address this, we release the StructuredOR dataset, annotated with comprehensive labels that capture the complete mathematical modeling process. We further propose BPP-Search, a algorithm that integrates reinforcement learning into a tree-of-thought structure using Beam search, a Process reward model, and a pairwise Preference algorithm. This approach enables efficient exploration of tree structures, avoiding exhaustive search while improving accuracy. Extensive experiments on StructuredOR, NL4OPT, and MAMO-ComplexLP datasets show that BPP-Search significantly outperforms state-of-the-art methods. In tree-based reasoning, BPP-Search excels in accuracy and efficiency, enabling faster retrieval of correct solutions.

This paper introduces PhyloLM, a method adapting phylogenetic algorithms to Large Language Models (LLMs) to explore whether and how they relate to each other and to predict their performance characteristics. Our method calculates a phylogenetic distance metrics based on the similarity of LLMs' output. The resulting metric is then used to construct dendrograms, which satisfactorily capture known relationships across a set of 111 open-source and 45 closed models. Furthermore, our phylogenetic distance predicts performance in standard benchmarks, thus demonstrating its functional validity and paving the way for a time and cost-effective estimation of LLM capabilities. To sum up, by translating population genetic concepts to machine learning, we propose and validate a tool to evaluate LLM development, relationships and capabilities, even in the absence of transparent training information.

While speculative decoding has recently appeared as a promising direction for accelerating the inference of large language models (LLMs), the speedup and scalability are strongly bounded by the token acceptance rate. Prevalent methods usually organize predicted tokens as independent chains or fixed token trees, which fails to generalize to diverse query distributions. In this paper, we propose DySpec, a faster speculative decoding algorithm with a novel dynamic token tree structure. We begin by bridging the draft distribution and acceptance rate from intuitive and empirical clues, and successfully show that the two variables are strongly correlated. Based on this, we employ a greedy strategy to dynamically expand the token tree at run time. Theoretically, we show that our method can achieve optimal results under mild assumptions. Empirically, DySpec yields a higher acceptance rate and speedup than fixed trees. DySpec can drastically improve the throughput and reduce the latency of token generation across various data distribution and model sizes, which significantly outperforms strong competitors, including Specinfer and Sequoia. Under low temperature setting, DySpec can improve the throughput up to 9.1times and reduce the latency up to 9.4times on Llama2-70B. Under high temperature setting, DySpec can also improve the throughput up to 6.21times, despite the increasing difficulty of speculating more than one token per step for draft model.

Communicating state machines provide a formal foundation for distributed computation. Unfortunately, they are Turing-complete and, thus, challenging to analyse. In this paper, we classify restrictions on channels which have been proposed to work around the undecidability of verification questions. We compare half-duplex communication, existential B-boundedness, and k-synchronisability. These restrictions do not prevent the communication channels from growing arbitrarily large but still restrict the power of the model. Each restriction gives rise to a set of languages so, for every pair of restrictions, we check whether one subsumes the other or if they are incomparable. We investigate their relationship in two different contexts: first, the one of communicating state machines, and, second, the one of communication protocol specifications using high-level message sequence charts. Surprisingly, these two contexts yield different conclusions. In addition, we integrate multiparty session types, another approach to specify communication protocols, into our classification. We show that multiparty session type languages are half-duplex, existentially 1-bounded, and 1-synchronisable. To~show this result, we provide the first formal embedding of multiparty session types into high-level message sequence charts.

Several recent advances in AI systems (e.g., Tree-of-Thoughts and Program-Aided Language Models) solve problems by providing a "scaffolding" program that structures multiple calls to language models to generate better outputs. A scaffolding program is written in a programming language such as Python. In this work, we use a language-model-infused scaffolding program to improve itself. We start with a seed "improver" that improves an input program according to a given utility function by querying a language model several times and returning the best solution. We then run this seed improver to improve itself. Across a small set of downstream tasks, the resulting improved improver generates programs with significantly better performance than its seed improver. Afterward, we analyze the variety of self-improvement strategies proposed by the language model, including beam search, genetic algorithms, and simulated annealing. Since the language models themselves are not altered, this is not full recursive self-improvement. Nonetheless, it demonstrates that a modern language model, GPT-4 in our proof-of-concept experiments, is capable of writing code that can call itself to improve itself. We critically consider concerns around the development of self-improving technologies and evaluate the frequency with which the generated code bypasses a sandbox.

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods. While language agents have demonstrated impressive capabilities for many real-world tasks, a fundamental limitation of current language agents research is that they are model-centric, or engineering-centric. That's to say, the progress on prompts, tools, and pipelines of language agents requires substantial manual engineering efforts from human experts rather than automatically learning from data. We believe the transition from model-centric, or engineering-centric, to data-centric, i.e., the ability of language agents to autonomously learn and evolve in environments, is the key for them to possibly achieve AGI. In this work, we introduce agent symbolic learning, a systematic framework that enables language agents to optimize themselves on their own in a data-centric way using symbolic optimizers. Specifically, we consider agents as symbolic networks where learnable weights are defined by prompts, tools, and the way they are stacked together. Agent symbolic learning is designed to optimize the symbolic network within language agents by mimicking two fundamental algorithms in connectionist learning: back-propagation and gradient descent. Instead of dealing with numeric weights, agent symbolic learning works with natural language simulacrums of weights, loss, and gradients. We conduct proof-of-concept experiments on both standard benchmarks and complex real-world tasks and show that agent symbolic learning enables language agents to update themselves after being created and deployed in the wild, resulting in "self-evolving agents".

Machine learning on graphs has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To solve this critical challenge, automated machine learning (AutoML) on graphs which combines the strength of graph machine learning and AutoML together, is gaining attention from the research community. Therefore, we comprehensively survey AutoML on graphs in this paper, primarily focusing on hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We further overview libraries related to automated graph machine learning and in-depth discuss AutoGL, the first dedicated open-source library for AutoML on graphs. In the end, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive review of automated machine learning on graphs to the best of our knowledge.

The popularity of the Rust language continues to explode; yet, many critical codebases remain authored in C, and cannot be realistically rewritten by hand. Automatically translating C to Rust is thus an appealing course of action. Several works have gone down this path, handling an ever-increasing subset of C through a variety of Rust features, such as unsafe. While the prospect of automation is appealing, producing code that relies on unsafe negates the memory safety guarantees offered by Rust, and therefore the main advantages of porting existing codebases to memory-safe languages. We instead explore a different path, and explore what it would take to translate C to safe Rust; that is, to produce code that is trivially memory safe, because it abides by Rust's type system without caveats. Our work sports several original contributions: a type-directed translation from (a subset of) C to safe Rust; a novel static analysis based on "split trees" that allows expressing C's pointer arithmetic using Rust's slices and splitting operations; an analysis that infers exactly which borrows need to be mutable; and a compilation strategy for C's struct types that is compatible with Rust's distinction between non-owned and owned allocations. We apply our methodology to existing formally verified C codebases: the HACL* cryptographic library, and binary parsers and serializers from EverParse, and show that the subset of C we support is sufficient to translate both applications to safe Rust. Our evaluation shows that for the few places that do violate Rust's aliasing discipline, automated, surgical rewrites suffice; and that the few strategic copies we insert have a negligible performance impact. Of particular note, the application of our approach to HACL* results in a 80,000 line verified cryptographic library, written in pure Rust, that implements all modern algorithms - the first of its kind.

Estimating the structure of directed acyclic graphs (DAGs, also known as Bayesian networks) is a challenging problem since the search space of DAGs is combinatorial and scales superexponentially with the number of nodes. Existing approaches rely on various local heuristics for enforcing the acyclicity constraint. In this paper, we introduce a fundamentally different strategy: We formulate the structure learning problem as a purely continuous optimization problem over real matrices that avoids this combinatorial constraint entirely. This is achieved by a novel characterization of acyclicity that is not only smooth but also exact. The resulting problem can be efficiently solved by standard numerical algorithms, which also makes implementation effortless. The proposed method outperforms existing ones, without imposing any structural assumptions on the graph such as bounded treewidth or in-degree. Code implementing the proposed algorithm is open-source and publicly available at https://github.com/xunzheng/notears.

Code clones are semantically similar code fragments pairs that are syntactically similar or different. Detection of code clones can help to reduce the cost of software maintenance and prevent bugs. Numerous approaches of detecting code clones have been proposed previously, but most of them focus on detecting syntactic clones and do not work well on semantic clones with different syntactic features. To detect semantic clones, researchers have tried to adopt deep learning for code clone detection to automatically learn latent semantic features from data. Especially, to leverage grammar information, several approaches used abstract syntax trees (AST) as input and achieved significant progress on code clone benchmarks in various programming languages. However, these AST-based approaches still can not fully leverage the structural information of code fragments, especially semantic information such as control flow and data flow. To leverage control and data flow information, in this paper, we build a graph representation of programs called flow-augmented abstract syntax tree (FA-AST). We construct FA-AST by augmenting original ASTs with explicit control and data flow edges. Then we apply two different types of graph neural networks (GNN) on FA-AST to measure the similarity of code pairs. As far as we have concerned, we are the first to apply graph neural networks on the domain of code clone detection. We apply our FA-AST and graph neural networks on two Java datasets: Google Code Jam and BigCloneBench. Our approach outperforms the state-of-the-art approaches on both Google Code Jam and BigCloneBench tasks.

Large Language Model (LLM) based multi-agent systems (MAS) show remarkable potential in collaborative problem-solving, yet they still face critical challenges: low communication efficiency, poor scalability, and a lack of effective parameter-updating optimization methods. We present Optima, a novel framework that addresses these issues by significantly enhancing both communication efficiency and task effectiveness in LLM-based MAS through LLM training. Optima employs an iterative generate, rank, select, and train paradigm with a reward function balancing task performance, token efficiency, and communication readability. We explore various RL algorithms, including Supervised Fine-Tuning, Direct Preference Optimization, and their hybrid approaches, providing insights into their effectiveness-efficiency trade-offs. We integrate Monte Carlo Tree Search-inspired techniques for DPO data generation, treating conversation turns as tree nodes to explore diverse interaction paths. Evaluated on common multi-agent tasks, including information-asymmetric question answering and complex reasoning, Optima shows consistent and substantial improvements over single-agent baselines and vanilla MAS based on Llama 3 8B, achieving up to 2.8x performance gain with less than 10\% tokens on tasks requiring heavy information exchange. Moreover, Optima's efficiency gains open new possibilities for leveraging inference-compute more effectively, leading to improved inference-time scaling laws. By addressing fundamental challenges in LLM-based MAS, Optima shows the potential towards scalable, efficient, and effective MAS (https://chenweize1998.github.io/optima-project-page).

We propose Beam Tree Recursive Cell (BT-Cell) - a backpropagation-friendly framework to extend Recursive Neural Networks (RvNNs) with beam search for latent structure induction. We further extend this framework by proposing a relaxation of the hard top-k operators in beam search for better propagation of gradient signals. We evaluate our proposed models in different out-of-distribution splits in both synthetic and realistic data. Our experiments show that BTCell achieves near-perfect performance on several challenging structure-sensitive synthetic tasks like ListOps and logical inference while maintaining comparable performance in realistic data against other RvNN-based models. Additionally, we identify a previously unknown failure case for neural models in generalization to unseen number of arguments in ListOps. The code is available at: https://github.com/JRC1995/BeamTreeRecursiveCells.

Autoregressive models, such as the GPT family, use a fixed order, usually left-to-right, to generate sequences. However, this is not a necessity. In this paper, we challenge this assumption and show that by simply adding a positional encoding for the output, this order can be modulated on-the-fly per-sample which offers key advantageous properties. It allows for the sampling of and conditioning on arbitrary subsets of tokens, and it also allows sampling in one shot multiple tokens dynamically according to a rejection strategy, leading to a sub-linear number of model evaluations. We evaluate our method across various domains, including language modeling, path-solving, and aircraft vertical rate prediction, decreasing the number of steps required for generation by an order of magnitude.

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

Generating long-term texts such as novels using artificial intelligence has always been a challenge. A common approach is to use large language models (LLMs) to construct a hierarchical framework that first plans and then writes. Despite the fact that the generated novels reach a sufficient length, they exhibit poor logical coherence and appeal in their plots and deficiencies in character and event depiction, ultimately compromising the overall narrative quality. In this paper, we propose a method named Extracting Excelsior and Expanding. Ex3 initially extracts structure information from raw novel data. By combining this structure information with the novel data, an instruction-following dataset is meticulously crafted. This dataset is then utilized to fine-tune the LLM, aiming for excelsior generation performance. In the final stage, a tree-like expansion method is deployed to facilitate the generation of arbitrarily long novels. Evaluation against previous methods showcases Ex3's ability to produce higher-quality long-form novels.

Building an embodied agent system with a large language model (LLM) as its core is a promising direction. Due to the significant costs and uncontrollable factors associated with deploying and training such agents in the real world, we have decided to begin our exploration within the Minecraft environment. Our STEVE Series agents can complete basic tasks in a virtual environment and more challenging tasks such as navigation and even creative tasks, with an efficiency far exceeding previous state-of-the-art methods by a factor of 2.5times to 7.3times. We begin our exploration with a vanilla large language model, augmenting it with a vision encoder and an action codebase trained on our collected high-quality dataset STEVE-21K. Subsequently, we enhanced it with a Critic and memory to transform it into a complex system. Finally, we constructed a hierarchical multi-agent system. Our recent work explored how to prune the agent system through knowledge distillation. In the future, we will explore more potential applications of STEVE agents in the real world.

Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of natural language processing and reasoning tasks. However, their performance in the foundational domain of arithmetic remains unsatisfactory. When dealing with arithmetic tasks, LLMs often memorize specific examples rather than learning the underlying computational logic, limiting their ability to generalize to new problems. In this paper, we propose a Composable Arithmetic Execution Framework (CAEF) that enables LLMs to learn to execute step-by-step computations by emulating Turing Machines, thereby gaining a genuine understanding of computational logic. Moreover, the proposed framework is highly scalable, allowing composing learned operators to significantly reduce the difficulty of learning complex operators. In our evaluation, CAEF achieves nearly 100% accuracy across seven common mathematical operations on the LLaMA 3.1-8B model, effectively supporting computations involving operands with up to 100 digits, a level where GPT-4o falls short noticeably in some settings.

This paper pursues the insight that large language models (LLMs) trained to generate code can vastly improve the effectiveness of mutation operators applied to programs in genetic programming (GP). Because such LLMs benefit from training data that includes sequential changes and modifications, they can approximate likely changes that humans would make. To highlight the breadth of implications of such evolution through large models (ELM), in the main experiment ELM combined with MAP-Elites generates hundreds of thousands of functional examples of Python programs that output working ambulating robots in the Sodarace domain, which the original LLM had never seen in pre-training. These examples then help to bootstrap training a new conditional language model that can output the right walker for a particular terrain. The ability to bootstrap new models that can output appropriate artifacts for a given context in a domain where zero training data was previously available carries implications for open-endedness, deep learning, and reinforcement learning. These implications are explored here in depth in the hope of inspiring new directions of research now opened up by ELM.

Software testing is a crucial phase in the software life cycle, helping identify potential risks and reduce maintenance costs. With the advancement of Large Language Models (LLMs), researchers have proposed an increasing number of LLM-based software testing techniques, particularly in the area of test case generation. Despite the growing interest, limited efforts have been made to thoroughly evaluate the actual capabilities of LLMs in this task. In this paper, we introduce TestBench, a benchmark for class-level LLM-based test case generation. We construct a dataset of 108 Java programs from 9 real-world, large-scale projects on GitHub, each representing a different thematic domain. We then design three distinct types of prompts based on context descriptions, including self-contained context, full context, and simple context. Besides, we propose a fine-grained evaluation framework that considers five aspects of test cases: syntactic correctness, compilation correctness, test correctness, code coverage rate, and defect detection rate. Furthermore, we propose a heuristic algorithm to repair erroneous test cases generated by LLMs. We evaluate CodeLlama-13b, GPT-3.5, and GPT-4 on the TestBench, and our experimental results indicate that larger models demonstrate a greater ability to effectively utilize contextual information, thus generating higher-quality test cases. Smaller models may struggle with the noise introduced by the extensive information contained within the full context. However, when using the simplified version, namely the simple context, which is derived from the full context via abstract syntax tree analysis, the performance of these models improves significantly. Our analysis highlights the current progress and pinpoints future directions to further enhance the effectiveness of models by handling contextual information for test case generation.

We introduce Probabilistic Dependent Type Systems (PDTS) via a functional language based on a subsystem of intuitionistic type theory including dependent sums and products, which is expanded to include stochastic functions. We provide a sampling-based semantics for the language based on non-deterministic beta reduction. Further, we derive a probabilistic logic from the PDTS introduced as a direct result of the Curry-Howard isomorphism. The probabilistic logic derived is shown to provide a universal representation for finite discrete distributions.

We propose a general and efficient framework to control auto-regressive generation models with NeurAlly-Decomposed Oracle (NADO). Given a pre-trained base language model and a sequence-level boolean oracle function, we propose to decompose the oracle function into token-level guidance to steer the base model in text generation. Specifically, the token-level guidance is approximated by a neural model trained with examples sampled from the base model, demanding no additional auxiliary labeled data. Based on posterior regularization, we present the closed-form optimal solution to incorporate the token-level guidance into the base model for controllable generation. We further provide a theoretical analysis of how the approximation quality of NADO affects the controllable generation results. Experiments conducted on two applications: (1) text generation with lexical constraints and (2) machine translation with formality control demonstrate that our framework efficiently guides the base model towards the given oracle while maintaining high generation quality.

Inference-time alignment enhances the performance of large language models without requiring additional training or fine-tuning but presents challenges due to balancing computational efficiency with high-quality output. Best-of-N (BoN) sampling, as a simple yet powerful approach, generates multiple responses and selects the best one, achieving improved performance but with a high computational cost. We propose TreeBoN, a novel framework that integrates a speculative tree-search strategy into Best-of-N (BoN) Sampling. TreeBoN maintains a set of parent nodes, iteratively branching and pruning low-quality responses, thereby reducing computational overhead while maintaining high output quality. Our approach also leverages token-level rewards from Direct Preference Optimization (DPO) to guide tree expansion and prune low-quality paths. We evaluate TreeBoN using AlpacaFarm, UltraFeedback, GSM8K, HH-RLHF, and TutorEval datasets, demonstrating consistent improvements. Specifically, TreeBoN achieves a 65% win rate at maximum lengths of 192 and 384 tokens, outperforming standard BoN with the same computational cost. Furthermore, TreeBoN achieves around a 60% win rate across longer responses, showcasing its scalability and alignment efficacy.

Automated Theorem Proving (ATP) faces challenges due to its complexity and computational demands. Recent work has explored using Large Language Models (LLMs) for ATP action selection, but these methods can be resource-intensive. This study introduces FEAS, an agent that enhances the COPRA in-context learning framework within Lean. FEAS refines prompt generation, response parsing, and incorporates domain-specific heuristics for functional equations. It introduces FunEq, a curated dataset of functional equation problems with varying difficulty. FEAS outperforms baselines on FunEq, particularly with the integration of domain-specific heuristics. The results demonstrate FEAS's effectiveness in generating and formalizing high-level proof strategies into Lean proofs, showcasing the potential of tailored approaches for specific ATP challenges.

We introduce RLang, a domain-specific language (DSL) for communicating domain knowledge to an RL agent. Unlike existing RL DSLs that ground to single elements of a decision-making formalism (e.g., the reward function or policy), RLang can specify information about every element of a Markov decision process. We define precise syntax and grounding semantics for RLang, and provide a parser that grounds RLang programs to an algorithm-agnostic partial world model and policy that can be exploited by an RL agent. We provide a series of example RLang programs demonstrating how different RL methods can exploit the resulting knowledge, encompassing model-free and model-based tabular algorithms, policy gradient and value-based methods, hierarchical approaches, and deep methods.

Prompt engineering is very important to enhance the performance of large language models (LLMs). When dealing with complex issues, prompt engineers tend to distill multiple patterns from examples and inject relevant solutions to optimize the prompts, achieving satisfying results. However, existing automatic prompt optimization techniques are only limited to producing single flow instructions, struggling with handling diverse patterns. In this paper, we present AMPO, an automatic prompt optimization method that can iteratively develop a multi-branched prompt using failure cases as feedback. Our goal is to explore a novel way of structuring prompts with multi-branches to better handle multiple patterns in complex tasks, for which we introduce three modules: Pattern Recognition, Branch Adjustment, and Branch Pruning. In experiments across five tasks, AMPO consistently achieves the best results. Additionally, our approach demonstrates significant optimization efficiency due to our adoption of a minimal search strategy.

Recent advancements in prompt engineering strategies, such as Chain-of-Thought (CoT) and Self-Discover, have demonstrated significant potential in improving the reasoning abilities of Large Language Models (LLMs). However, these state-of-the-art (SOTA) prompting strategies rely on single or fixed set of static seed reasoning modules like "think step by step" or "break down this problem" intended to simulate human approach to problem-solving. This constraint limits the flexibility of models in tackling diverse problems effectively. In this paper, we introduce Auto-Evolve, a novel framework that enables LLMs to self-create dynamic reasoning modules and downstream action plan, resulting in significant improvements over current SOTA methods. We evaluate Auto-Evolve on the challenging BigBench-Hard (BBH) dataset with Claude 2.0, Claude 3 Sonnet, Mistral Large, and GPT 4, where it consistently outperforms the SOTA prompt strategies. Auto-Evolve outperforms CoT by up to 10.4% and on an average by 7% across these four models. Our framework introduces two innovations: a) Auto-Evolve dynamically generates reasoning modules for each task while aligning with human reasoning paradigm, thus eliminating the need for predefined templates. b) We introduce an iterative refinement component, that incrementally refines instruction guidance for LLMs and helps boost performance by average 2.8% compared to doing it in a single step.

Recently, the incredible progress of large language models (LLMs) has ignited the spark of task automation, which decomposes the complex tasks described by user instructions into sub-tasks, and invokes external tools to execute them, and plays a central role in autonomous agents. However, there lacks a systematic and standardized benchmark to foster the development of LLMs in task automation. To this end, we introduce TaskBench to evaluate the capability of LLMs in task automation. Specifically, task automation can be formulated into three critical stages: task decomposition, tool invocation, and parameter prediction to fulfill user intent. This complexity makes data collection and evaluation more challenging compared to common NLP tasks. To generate high-quality evaluation datasets, we introduce the concept of Tool Graph to represent the decomposed tasks in user intent, and adopt a back-instruct method to simulate user instruction and annotations. Furthermore, we propose TaskEval to evaluate the capability of LLMs from different aspects, including task decomposition, tool invocation, and parameter prediction. Experimental results demonstrate that TaskBench can effectively reflects the capability of LLMs in task automation. Benefiting from the mixture of automated data construction and human verification, TaskBench achieves a high consistency compared to the human evaluation, which can be utilized as a comprehensive and faithful benchmark for LLM-based autonomous agents.

Prompted models have demonstrated impressive few-shot learning abilities. Repeated interactions at test-time with a single model, or the composition of multiple models together, further expands capabilities. These compositions are probabilistic models, and may be expressed in the language of graphical models with random variables whose values are complex data types such as strings. Cases with control flow and dynamic structure require techniques from probabilistic programming, which allow implementing disparate model structures and inference strategies in a unified language. We formalize several existing techniques from this perspective, including scratchpads / chain of thought, verifiers, STaR, selection-inference, and tool use. We refer to the resulting programs as language model cascades.

Database administrators (DBAs) play an important role in managing, maintaining and optimizing database systems. However, it is hard and tedious for DBAs to manage a large number of databases and give timely response (waiting for hours is intolerable in many online cases). In addition, existing empirical methods only support limited diagnosis scenarios, which are also labor-intensive to update the diagnosis rules for database version updates. Recently large language models (LLMs) have shown great potential in various fields. Thus, we propose D-Bot, an LLM-based database diagnosis system that can automatically acquire knowledge from diagnosis documents, and generate reasonable and well-founded diagnosis report (i.e., identifying the root causes and solutions) within acceptable time (e.g., under 10 minutes compared to hours by a DBA). The techniques in D-Bot include (i) offline knowledge extraction from documents, (ii) automatic prompt generation (e.g., knowledge matching, tool retrieval), (iii) root cause analysis using tree search algorithm, and (iv) collaborative mechanism for complex anomalies with multiple root causes. We verify D-Bot on real benchmarks (including 539 anomalies of six typical applications), and the results show that D-Bot can effectively analyze the root causes of unseen anomalies and significantly outperforms traditional methods and vanilla models like GPT-4.

In this paper we introduce the olog, or ontology log, a category-theoretic model for knowledge representation (KR). Grounded in formal mathematics, ologs can be rigorously formulated and cross-compared in ways that other KR models (such as semantic networks) cannot. An olog is similar to a relational database schema; in fact an olog can serve as a data repository if desired. Unlike database schemas, which are generally difficult to create or modify, ologs are designed to be user-friendly enough that authoring or reconfiguring an olog is a matter of course rather than a difficult chore. It is hoped that learning to author ologs is much simpler than learning a database definition language, despite their similarity. We describe ologs carefully and illustrate with many examples. As an application we show that any primitive recursive function can be described by an olog. We also show that ologs can be aligned or connected together into a larger network using functors. The various methods of information flow and institutions can then be used to integrate local and global world-views. We finish by providing several different avenues for future research.

We explore the emergence of intelligent behavior in artificial systems by investigating how the complexity of rule-based systems influences the capabilities of models trained to predict these rules. Our study focuses on elementary cellular automata (ECA), simple yet powerful one-dimensional systems that generate behaviors ranging from trivial to highly complex. By training distinct Large Language Models (LLMs) on different ECAs, we evaluated the relationship between the complexity of the rules' behavior and the intelligence exhibited by the LLMs, as reflected in their performance on downstream tasks. Our findings reveal that rules with higher complexity lead to models exhibiting greater intelligence, as demonstrated by their performance on reasoning and chess move prediction tasks. Both uniform and periodic systems, and often also highly chaotic systems, resulted in poorer downstream performance, highlighting a sweet spot of complexity conducive to intelligence. We conjecture that intelligence arises from the ability to predict complexity and that creating intelligence may require only exposure to complexity.

Eliciting reasoning capabilities from language models (LMs) is a critical direction on the path towards building intelligent systems. Most recent studies dedicated to reasoning focus on out-of-distribution performance on procedurally-generated synthetic benchmarks, bespoke-built to evaluate specific skills only. This trend makes results hard to transfer across publications, slowing down progress. Three years ago, a similar issue was identified and rectified in the field of neural algorithmic reasoning, with the advent of the CLRS benchmark. CLRS is a dataset generator comprising graph execution traces of classical algorithms from the Introduction to Algorithms textbook. Inspired by this, we propose CLRS-Text -- a textual version of these algorithmic traces. Out of the box, CLRS-Text is capable of procedurally generating trace data for thirty diverse, challenging algorithmic tasks across any desirable input distribution, while offering a standard pipeline in which any additional algorithmic tasks may be created in the benchmark. We fine-tune and evaluate various LMs as generalist executors on this benchmark, validating prior work and revealing a novel, interesting challenge for the LM reasoning community. Our code is available at https://github.com/google-deepmind/clrs/tree/master/clrs/_src/clrs_text.

We present our position on the elusive quest for a general-purpose framework for specifying and studying deep learning architectures. Our opinion is that the key attempts made so far lack a coherent bridge between specifying constraints which models must satisfy and specifying their implementations. Focusing on building a such a bridge, we propose to apply category theory -- precisely, the universal algebra of monads valued in a 2-category of parametric maps -- as a single theory elegantly subsuming both of these flavours of neural network design. To defend our position, we show how this theory recovers constraints induced by geometric deep learning, as well as implementations of many architectures drawn from the diverse landscape of neural networks, such as RNNs. We also illustrate how the theory naturally encodes many standard constructs in computer science and automata theory.

Instruction-following is a fundamental capability of language models, requiring the model to recognize even the most subtle requirements in the instructions and accurately reflect them in its output. Such an ability is well-suited for and often optimized by preference learning. However, existing methods often directly sample multiple independent responses from the model when creating preference pairs. Such practice can introduce content variations irrelevant to whether the instruction is precisely followed (e.g., different expressions about the same semantic), interfering with the goal of teaching models to recognize the key differences that lead to improved instruction following. In light of this, we introduce SPaR, a self-play framework integrating tree-search self-refinement to yield valid and comparable preference pairs free from distractions. By playing against itself, an LLM employs a tree-search strategy to refine its previous responses with respect to the instruction while minimizing unnecessary variations. Our experiments show that a LLaMA3-8B model, trained over three iterations guided by SPaR, surpasses GPT-4-Turbo on the IFEval benchmark without losing general capabilities. Furthermore, SPaR demonstrates promising scalability and transferability, greatly enhancing models like GLM-4-9B and LLaMA3-70B. We also identify how inference scaling in tree search would impact model performance. Our code and data are publicly available at https://github.com/thu-coai/SPaR.

The inference process in Large Language Models (LLMs) is often limited due to the absence of parallelism in the auto-regressive decoding process, resulting in most operations being restricted by the memory bandwidth of accelerators. While methods such as speculative decoding have been suggested to address this issue, their implementation is impeded by the challenges associated with acquiring and maintaining a separate draft model. In this paper, we present Medusa, an efficient method that augments LLM inference by adding extra decoding heads to predict multiple subsequent tokens in parallel. Using a tree-based attention mechanism, Medusa constructs multiple candidate continuations and verifies them simultaneously in each decoding step. By leveraging parallel processing, Medusa introduces only minimal overhead in terms of single-step latency while substantially reducing the number of decoding steps required. We present two levels of fine-tuning procedures for Medusa to meet the needs of different use cases: Medusa-1: Medusa is directly fine-tuned on top of a frozen backbone LLM, enabling lossless inference acceleration. Medusa-2: Medusa is fine-tuned together with the backbone LLM, enabling better prediction accuracy of Medusa heads and higher speedup but needing a special training recipe that preserves the backbone model's capabilities. Moreover, we propose several extensions that improve or expand the utility of Medusa, including a self-distillation to handle situations where no training data is available and a typical acceptance scheme to boost the acceptance rate while maintaining generation quality. We evaluate Medusa on models of various sizes and training procedures. Our experiments demonstrate that Medusa-1 can achieve over 2.2x speedup without compromising generation quality, while Medusa-2 further improves the speedup to 2.3-3.6x.

Graph databases are gaining momentum thanks to the flexibility and expressiveness of their data models and query languages. A standardization activity driven by the ISO/IEC standardization body is also ongoing and has already conducted to the specification of the first versions of two standard graph query languages, namely SQL/PGQ and GQL, respectively in 2023 and 2024. Apart from the standards, there exists a panoply of concrete graph query languages provided by current graph database systems, each offering different query features. A common limitation of current graph query engines is the absence of an algebraic approach for evaluating path queries. To address this, we introduce an abstract algebra for evaluating path queries, allowing paths to be treated as first-class entities within the query processing pipeline. We demonstrate that our algebra can express a core fragment of path queries defined in GQL and SQL/PGQ, thereby serving as a formal framework for studying both standards and supporting their implementation in current graph database systems. We also show that evaluation trees for path algebra expressions can function as logical plans for evaluating path queries and enable the application of query optimization techniques. Our algebraic framework has the potential to act as a lingua franca for path query evaluation, enabling different implementations to be expressed and compared.

In this paper, we present ManyTypes4Py, a large Python dataset for machine learning (ML)-based type inference. The dataset contains a total of 5,382 Python projects with more than 869K type annotations. Duplicate source code files were removed to eliminate the negative effect of the duplication bias. To facilitate training and evaluation of ML models, the dataset was split into training, validation and test sets by files. To extract type information from abstract syntax trees (ASTs), a lightweight static analyzer pipeline is developed and accompanied with the dataset. Using this pipeline, the collected Python projects were analyzed and the results of the AST analysis were stored in JSON-formatted files. The ManyTypes4Py dataset is shared on zenodo and its tools are publicly available on GitHub.

Assurance cases can be used to argue for the safety of products in safety engineering. In safety-critical areas, the construction of assurance cases is indispensable. Trustworthiness Derivation Trees (TDTs) enhance assurance cases by incorporating formal methods, rendering it possible for automatic reasoning about assurance cases. We present Trustworthiness Derivation Tree Analyzer (Trusta), a desktop application designed to automatically construct and verify TDTs. The tool has a built-in Prolog interpreter in its backend, and is supported by the constraint solvers Z3 and MONA. Therefore, it can solve constraints about logical formulas involving arithmetic, sets, Horn clauses etc. Trusta also utilizes large language models to make the creation and evaluation of assurance cases more convenient. It allows for interactive human examination and modification. We evaluated top language models like ChatGPT-3.5, ChatGPT-4, and PaLM 2 for generating assurance cases. Our tests showed a 50%-80% similarity between machine-generated and human-created cases. In addition, Trusta can extract formal constraints from text in natural languages, facilitating an easier interpretation and validation process. This extraction is subject to human review and correction, blending the best of automated efficiency with human insight. To our knowledge, this marks the first integration of large language models in automatic creating and reasoning about assurance cases, bringing a novel approach to a traditional challenge. Through several industrial case studies, Trusta has proven to quickly find some subtle issues that are typically missed in manual inspection, demonstrating its practical value in enhancing the assurance case development process.

A widely used strategy to discover and understand language model mechanisms is circuit analysis. A circuit is a minimal subgraph of a model's computation graph that executes a specific task. We identify a gap in existing circuit discovery methods: they assume circuits are position-invariant, treating model components as equally relevant across input positions. This limits their ability to capture cross-positional interactions or mechanisms that vary across positions. To address this gap, we propose two improvements to incorporate positionality into circuits, even on tasks containing variable-length examples. First, we extend edge attribution patching, a gradient-based method for circuit discovery, to differentiate between token positions. Second, we introduce the concept of a dataset schema, which defines token spans with similar semantics across examples, enabling position-aware circuit discovery in datasets with variable length examples. We additionally develop an automated pipeline for schema generation and application using large language models. Our approach enables fully automated discovery of position-sensitive circuits, yielding better trade-offs between circuit size and faithfulness compared to prior work.

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

Recent advancements in large language models (LLMs) have significantly advanced the automation of software development tasks, including code synthesis, program repair, and test generation. More recently, researchers and industry practitioners have developed various autonomous LLM agents to perform end-to-end software development tasks. These agents are equipped with the ability to use tools, run commands, observe feedback from the environment, and plan for future actions. However, the complexity of these agent-based approaches, together with the limited abilities of current LLMs, raises the following question: Do we really have to employ complex autonomous software agents? To attempt to answer this question, we build Agentless -- an agentless approach to automatically solve software development problems. Compared to the verbose and complex setup of agent-based approaches, Agentless employs a simplistic two-phase process of localization followed by repair, without letting the LLM decide future actions or operate with complex tools. Our results on the popular SWE-bench Lite benchmark show that surprisingly the simplistic Agentless is able to achieve both the highest performance (27.33%) and lowest cost (\$0.34) compared with all existing open-source software agents! Furthermore, we manually classified the problems in SWE-bench Lite and found problems with exact ground truth patch or insufficient/misleading issue descriptions. As such, we construct SWE-bench Lite-S by excluding such problematic issues to perform more rigorous evaluation and comparison. Our work highlights the current overlooked potential of a simple, interpretable technique in autonomous software development. We hope Agentless will help reset the baseline, starting point, and horizon for autonomous software agents, and inspire future work along this crucial direction.

Human intelligence emerged through the process of natural selection and evolution on Earth. We investigate what it would take to re-create this process in silico. While past work has often focused on low-level processes (such as simulating physics or chemistry), we instead take a more targeted approach, aiming to evolve agents that can accumulate open-ended culture and technologies across generations. Towards this, we present JaxLife: an artificial life simulator in which embodied agents, parameterized by deep neural networks, must learn to survive in an expressive world containing programmable systems. First, we describe the environment and show that it can facilitate meaningful Turing-complete computation. We then analyze the evolved emergent agents' behavior, such as rudimentary communication protocols, agriculture, and tool use. Finally, we investigate how complexity scales with the amount of compute used. We believe JaxLife takes a step towards studying evolved behavior in more open-ended simulations. Our code is available at https://github.com/luchris429/JaxLife

Novel machine learning methods for tabular data generation are often developed on small datasets which do not match the scale required for scientific applications. We investigate a recent proposal to use XGBoost as the function approximator in diffusion and flow-matching models on tabular data, which proved to be extremely memory intensive, even on tiny datasets. In this work, we conduct a critical analysis of the existing implementation from an engineering perspective, and show that these limitations are not fundamental to the method; with better implementation it can be scaled to datasets 370x larger than previously used. Our efficient implementation also unlocks scaling models to much larger sizes which we show directly leads to improved performance on benchmark tasks. We also propose algorithmic improvements that can further benefit resource usage and model performance, including multi-output trees which are well-suited to generative modeling. Finally, we present results on large-scale scientific datasets derived from experimental particle physics as part of the Fast Calorimeter Simulation Challenge. Code is available at https://github.com/layer6ai-labs/calo-forest.

The prominent large language models (LLMs) of today differ from past language models not only in size, but also in the fact that they are trained on a combination of natural language and formal language (code). As a medium between humans and computers, code translates high-level goals into executable steps, featuring standard syntax, logical consistency, abstraction, and modularity. In this survey, we present an overview of the various benefits of integrating code into LLMs' training data. Specifically, beyond enhancing LLMs in code generation, we observe that these unique properties of code help (i) unlock the reasoning ability of LLMs, enabling their applications to a range of more complex natural language tasks; (ii) steer LLMs to produce structured and precise intermediate steps, which can then be connected to external execution ends through function calls; and (iii) take advantage of code compilation and execution environment, which also provides diverse feedback for model improvement. In addition, we trace how these profound capabilities of LLMs, brought by code, have led to their emergence as intelligent agents (IAs) in situations where the ability to understand instructions, decompose goals, plan and execute actions, and refine from feedback are crucial to their success on downstream tasks. Finally, we present several key challenges and future directions of empowering LLMs with code.

We propose a general two-stage algorithm that enjoys a provable scaling law for the test-time compute of large language models (LLMs). Given an input problem, the proposed algorithm first generates N candidate solutions, and then chooses the best one via a multiple-round knockout tournament where each pair of candidates are compared for K times and only the winners move on to the next round. In a minimalistic implementation, both stages can be executed with a black-box LLM alone and nothing else (e.g., no external verifier or reward model), and a total of N times (K + 1) highly parallelizable LLM calls are needed for solving an input problem. Assuming that a generated candidate solution is correct with probability p_{gen} > 0 and a comparison between a pair of correct and incorrect solutions identifies the right winner with probability p_{comp} > 0.5 (i.e., better than a random guess), we prove theoretically that the failure probability of the proposed algorithm decays to zero exponentially with respect to N and K: $P(final output is incorrect) le (1 - p_{gen})^N + lceil log_2 N rceil e^{-2 K (p_{comp} - 0.5)^2}.$ Our empirical results with the challenging MMLU-Pro benchmark validate the technical assumptions, as well as the efficacy of the proposed algorithm and the gains from scaling up its test-time compute.

Given thousands of equally accurate machine learning (ML) models, how can users choose among them? A recent ML technique enables domain experts and data scientists to generate a complete Rashomon set for sparse decision trees--a huge set of almost-optimal interpretable ML models. To help ML practitioners identify models with desirable properties from this Rashomon set, we develop TimberTrek, the first interactive visualization system that summarizes thousands of sparse decision trees at scale. Two usage scenarios highlight how TimberTrek can empower users to easily explore, compare, and curate models that align with their domain knowledge and values. Our open-source tool runs directly in users' computational notebooks and web browsers, lowering the barrier to creating more responsible ML models. TimberTrek is available at the following public demo link: https://poloclub.github.io/timbertrek.

Pre-trained Programming Language Models (PPLMs) achieved many recent states of the art results for many code-related software engineering tasks. Though some studies use data flow or propose tree-based models that utilize Abstract Syntax Tree (AST), most PPLMs do not fully utilize the rich syntactical information in source code. Still, the input is considered a sequence of tokens. There are two issues; the first is computational inefficiency due to the quadratic relationship between input length and attention complexity. Second, any syntactical information, when needed as an extra input to the current PPLMs, requires the model to be pre-trained from scratch, wasting all the computational resources already used for pre-training the current models. In this work, we propose Named Entity Recognition (NER) adapters, lightweight modules that can be inserted into Transformer blocks to learn type information extracted from the AST. These adapters can be used with current PPLMs such as CodeBERT, GraphCodeBERT, and CodeT5. We train the NER adapters using a novel Token Type Classification objective function (TTC). We insert our proposed work in CodeBERT, building CodeBERTER, and evaluate the performance on two tasks of code refinement and code summarization. CodeBERTER improves the accuracy of code refinement from 16.4 to 17.8 while using 20% of training parameter budget compared to the fully fine-tuning approach, and the BLEU score of code summarization from 14.75 to 15.90 while reducing 77% of training parameters compared to the fully fine-tuning approach.

Formal verification can provably guarantee the correctness of critical system software, but the high proof burden has long hindered its wide adoption. Recently, Large Language Models (LLMs) have shown success in code analysis and synthesis. In this paper, we present a combination of LLMs and static analysis to synthesize invariants, assertions, and other proof structures for a Rust-based formal verification framework called Verus. In a few-shot setting, LLMs demonstrate impressive logical ability in generating postconditions and loop invariants, especially when analyzing short code snippets. However, LLMs lack the ability to retain and propagate context information, a strength of traditional static analysis. Based on these observations, we developed a prototype based on OpenAI's GPT-4 model. Our prototype decomposes the verification task into multiple smaller ones, iteratively queries GPT-4, and combines its output with lightweight static analysis. We evaluated the prototype with a developer in the automation loop on 20 vector-manipulating programs. The results demonstrate that it significantly reduces human effort in writing entry-level proof code.

The massive successes of large language models (LLMs) encourage the emerging exploration of LLM-augmented Autonomous Agents (LAAs). An LAA is able to generate actions with its core LLM and interact with environments, which facilitates the ability to resolve complex tasks by conditioning on past interactions such as observations and actions. Since the investigation of LAA is still very recent, limited explorations are available. Therefore, we provide a comprehensive comparison of LAA in terms of both agent architectures and LLM backbones. Additionally, we propose a new strategy to orchestrate multiple LAAs such that each labor LAA focuses on one type of action, i.e. BOLAA, where a controller manages the communication among multiple agents. We conduct simulations on both decision-making and multi-step reasoning environments, which comprehensively justify the capacity of LAAs. Our performance results provide quantitative suggestions for designing LAA architectures and the optimal choice of LLMs, as well as the compatibility of both. We release our implementation code of LAAs to the public at https://github.com/salesforce/BOLAA.

The combination of Reinforcement Learning (RL) with deep learning has led to a series of impressive feats, with many believing (deep) RL provides a path towards generally capable agents. However, the success of RL agents is often highly sensitive to design choices in the training process, which may require tedious and error-prone manual tuning. This makes it challenging to use RL for new problems, while also limits its full potential. In many other areas of machine learning, AutoML has shown it is possible to automate such design choices and has also yielded promising initial results when applied to RL. However, Automated Reinforcement Learning (AutoRL) involves not only standard applications of AutoML but also includes additional challenges unique to RL, that naturally produce a different set of methods. As such, AutoRL has been emerging as an important area of research in RL, providing promise in a variety of applications from RNA design to playing games such as Go. Given the diversity of methods and environments considered in RL, much of the research has been conducted in distinct subfields, ranging from meta-learning to evolution. In this survey we seek to unify the field of AutoRL, we provide a common taxonomy, discuss each area in detail and pose open problems which would be of interest to researchers going forward.

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.

In recent years, large language models (LLMs) have achieved state-of-the-art results in various biological sequence analysis tasks, such as sequence classification, structure prediction, and function prediction. Similar to advancements in AI for other scientific fields, deeper research into biological LLMs has begun to focus on using these models to rediscover important existing biological laws or uncover entirely new patterns in biological sequences.This study leverages GPT-like LLMs to utilize language transfer capabilities to rediscover the genetic code rules of the central dogma. In our experimental design, we transformed the central dogma into a binary classification problem of aligning DNA sequences with protein sequences, where positive examples are matching DNA and protein sequences, and negative examples are non-matching pairs.We first trained a GPT-2 model from scratch using a dataset comprising protein sequences, DNA sequences, and sequences from languages such as English and Chinese. Subsequently, we fine-tuned the model using the English similarity judgment dataset from PAWS-X. When tested on a dataset for DNA and protein sequence alignment judgment, the fine-tuned model achieved a classification accuracy of 76%. The study also analyzed factors contributing to this zero-shot capability, including model training stability and types of training data.This research demonstrates that LLMs can, through the transfer of natural language capabilities and solely relying on the analysis of sequences themselves, rediscover the central dogma without prior knowledge of it. This study opens a new door for AI-driven biological research.

Large language models (LLMs) have succeeded significantly in various applications but remain susceptible to adversarial jailbreaks that void their safety guardrails. Previous attempts to exploit these vulnerabilities often rely on high-cost computational extrapolations, which may not be practical or efficient. In this paper, inspired by the authority influence demonstrated in the Milgram experiment, we present a lightweight method to take advantage of the LLMs' personification capabilities to construct a virtual, nested scene, allowing it to realize an adaptive way to escape the usage control in a normal scenario. Empirically, the contents induced by our approach can achieve leading harmfulness rates with previous counterparts and realize a continuous jailbreak in subsequent interactions, which reveals the critical weakness of self-losing on both open-source and closed-source LLMs, e.g., Llama-2, Llama-3, GPT-3.5, GPT-4, and GPT-4o. The code and data are available at: https://github.com/tmlr-group/DeepInception.

We introduce LADDER (Learning through Autonomous Difficulty-Driven Example Recursion), a framework which enables Large Language Models to autonomously improve their problem-solving capabilities through self-guided learning by recursively generating and solving progressively simpler variants of complex problems. Unlike prior approaches that require curated datasets or human feedback, LADDER leverages a model's own capabilities to generate easier question variants. We demonstrate LADDER's effectiveness in the subject of mathematical integration, improving Llama 3.2 3B's accuracy from 1% to 82% on undergraduate-level problems and enabling Qwen2.5 7B Deepseek-R1 Distilled to achieve 73% on the MIT Integration Bee qualifying examination. We also introduce TTRL (Test-Time Reinforcement Learning), where we perform reinforcement learning on variants of test problems at inference time. TTRL enables Qwen2.5 7B Deepseek-R1 Distilled to achieve a state-of-the-art score of 90% on the MIT Integration Bee qualifying examination, surpassing OpenAI o1's performance. These results show how self-directed strategic learning can achieve significant capability improvements without relying on architectural scaling or human supervision.