Daily Papers

Large Language Models (LLMs) have demonstrated remarkable performance across diverse tasks and exhibited impressive reasoning abilities by applying zero-shot Chain-of-Thought (CoT) prompting. However, due to the evolving nature of sentence prefixes during the pre-training phase, existing zero-shot CoT prompting methods that employ identical CoT prompting across all task instances may not be optimal. In this paper, we introduce a novel zero-shot prompting method that leverages evolutionary algorithms to generate diverse promptings for LLMs dynamically. Our approach involves initializing two CoT promptings, performing evolutionary operations based on LLMs to create a varied set, and utilizing the LLMs to select a suitable CoT prompting for a given problem. Additionally, a rewriting operation, guided by the selected CoT prompting, enhances the understanding of the LLMs about the problem. Extensive experiments conducted across ten reasoning datasets demonstrate the superior performance of our proposed method compared to current zero-shot CoT prompting methods on GPT-3.5-turbo and GPT-4. Moreover, in-depth analytical experiments underscore the adaptability and effectiveness of our method in various reasoning tasks.

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box objectives in molecular discovery, traverse chemical space by performing random mutations and crossovers, leading to a large number of expensive objective evaluations. In this work, we ameliorate this shortcoming by incorporating chemistry-aware Large Language Models (LLMs) into EAs. Namely, we redesign crossover and mutation operations in EAs using LLMs trained on large corpora of chemical information. We perform extensive empirical studies on both commercial and open-source models on multiple tasks involving property optimization, molecular rediscovery, and structure-based drug design, demonstrating that the joint usage of LLMs with EAs yields superior performance over all baseline models across single- and multi-objective settings. We demonstrate that our algorithm improves both the quality of the final solution and convergence speed, thereby reducing the number of required objective evaluations. Our code is available at http://github.com/zoom-wang112358/MOLLEO

Population-based search has recently emerged as a possible alternative to Reinforcement Learning (RL) for black-box neural architecture search (NAS). It performs well in practice even though it is not theoretically well understood. In particular, whereas traditional population-based search methods such as evolutionary algorithms (EAs) draw much power from crossover operations, it is difficult to take advantage of them in NAS. The main obstacle is believed to be the permutation problem: The mapping between genotype and phenotype in traditional graph representations is many-to-one, leading to a disruptive effect of standard crossover. This paper presents the first theoretical analysis of the behaviors of mutation, crossover and RL in black-box NAS, and proposes a new crossover operator based on the shortest edit path (SEP) in graph space. The SEP crossover is shown theoretically to overcome the permutation problem, and as a result, have a better expected improvement compared to mutation, standard crossover and RL. Further, it empirically outperform these other methods on state-of-the-art NAS benchmarks. The SEP crossover therefore allows taking full advantage of population-based search in NAS, and the underlying theory can serve as a foundation for deeper understanding of black-box NAS methods in general.

Deep artificial neural networks (DNNs) are typically trained via gradient-based learning algorithms, namely backpropagation. Evolution strategies (ES) can rival backprop-based algorithms such as Q-learning and policy gradients on challenging deep reinforcement learning (RL) problems. However, ES can be considered a gradient-based algorithm because it performs stochastic gradient descent via an operation similar to a finite-difference approximation of the gradient. That raises the question of whether non-gradient-based evolutionary algorithms can work at DNN scales. Here we demonstrate they can: we evolve the weights of a DNN with a simple, gradient-free, population-based genetic algorithm (GA) and it performs well on hard deep RL problems, including Atari and humanoid locomotion. The Deep GA successfully evolves networks with over four million free parameters, the largest neural networks ever evolved with a traditional evolutionary algorithm. These results (1) expand our sense of the scale at which GAs can operate, (2) suggest intriguingly that in some cases following the gradient is not the best choice for optimizing performance, and (3) make immediately available the multitude of neuroevolution techniques that improve performance. We demonstrate the latter by showing that combining DNNs with novelty search, which encourages exploration on tasks with deceptive or sparse reward functions, can solve a high-dimensional problem on which reward-maximizing algorithms (e.g.\ DQN, A3C, ES, and the GA) fail. Additionally, the Deep GA is faster than ES, A3C, and DQN (it can train Atari in {raise.17ex\scriptstyle\sim}4 hours on one desktop or {raise.17ex\scriptstyle\sim}1 hour distributed on 720 cores), and enables a state-of-the-art, up to 10,000-fold compact encoding technique.

Recently, evolutionary reinforcement learning has obtained much attention in various domains. Maintaining a population of actors, evolutionary reinforcement learning utilises the collected experiences to improve the behaviour policy through efficient exploration. However, the poor scalability of genetic operators limits the efficiency of optimising high-dimensional neural networks. To address this issue, this paper proposes a novel cooperative coevolutionary reinforcement learning (CoERL) algorithm. Inspired by cooperative coevolution, CoERL periodically and adaptively decomposes the policy optimisation problem into multiple subproblems and evolves a population of neural networks for each of the subproblems. Instead of using genetic operators, CoERL directly searches for partial gradients to update the policy. Updating policy with partial gradients maintains consistency between the behaviour spaces of parents and offspring across generations. The experiences collected by the population are then used to improve the entire policy, which enhances the sampling efficiency. Experiments on six benchmark locomotion tasks demonstrate that CoERL outperforms seven state-of-the-art algorithms and baselines. Ablation study verifies the unique contribution of CoERL's core ingredients.

The rise of powerful large language models (LLMs) has spurred a new trend in building LLM-based autonomous agents for solving complex tasks, especially multi-agent systems. Despite the remarkable progress, we notice that existing works are heavily dependent on human-designed frameworks, which greatly limits the functional scope and scalability of agent systems. How to automatically extend the specialized agent to multi-agent systems to improve task-solving capability still remains a significant challenge. In this paper, we introduce EvoAgent, a generic method to automatically extend expert agents to multi-agent systems via the evolutionary algorithm, thereby improving the effectiveness of LLM-based agents in solving tasks. Specifically, we consider the existing agent frameworks as the initial individual and then apply a series of evolutionary operators (e.g., mutation, crossover, selection, etc.) to generate multiple agents with diverse agent settings. EvoAgent can be generalized to any LLM-based agent framework, and can automatically extend the existing agent framework to multi-agent systems without any extra human designs. Experimental results across various tasks have shown that EvoAgent can automatically generate multiple expert agents and significantly enhance the task-solving capabilities of LLM-based agents.

Fine-tuning large pre-trained language models with Evol-Instruct has achieved encouraging results across a wide range of tasks. However, designing effective evolving methods for instruction evolution requires substantial human expertise. This paper proposes Auto Evol-Instruct, an end-to-end framework that evolves instruction datasets using large language models without any human effort. The framework automatically analyzes and summarizes suitable evolutionary strategies for the given instruction data and iteratively improves the evolving method based on issues exposed during the instruction evolution process. Our extensive experiments demonstrate that the best method optimized by Auto Evol-Instruct outperforms human-designed methods on various benchmarks, including MT-Bench, AlpacaEval, GSM8K, and HumanEval.

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.

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design skills. In this paper, we propose a novel approach called Algorithm Evolution using Large Language Model (AEL). It utilizes a large language model (LLM) to automatically generate optimization algorithms via an evolutionary framework. AEL does algorithm-level evolution without model training. Human effort and requirements for domain knowledge can be significantly reduced. We take constructive methods for the salesman traveling problem as a test example, we show that the constructive algorithm obtained by AEL outperforms simple hand-crafted and LLM-generated heuristics. Compared with other domain deep learning model-based algorithms, these methods exhibit excellent scalability across different problem sizes. AEL is also very different from previous attempts that utilize LLMs as search operators in algorithms.

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

The effort devoted to hand-crafting neural network image classifiers has motivated the use of architecture search to discover them automatically. Although evolutionary algorithms have been repeatedly applied to neural network topologies, the image classifiers thus discovered have remained inferior to human-crafted ones. Here, we evolve an image classifier---AmoebaNet-A---that surpasses hand-designs for the first time. To do this, we modify the tournament selection evolutionary algorithm by introducing an age property to favor the younger genotypes. Matching size, AmoebaNet-A has comparable accuracy to current state-of-the-art ImageNet models discovered with more complex architecture-search methods. Scaled to larger size, AmoebaNet-A sets a new state-of-the-art 83.9% / 96.6% top-5 ImageNet accuracy. In a controlled comparison against a well known reinforcement learning algorithm, we give evidence that evolution can obtain results faster with the same hardware, especially at the earlier stages of the search. This is relevant when fewer compute resources are available. Evolution is, thus, a simple method to effectively discover high-quality architectures.

We investigate the potential of bio-inspired evolutionary algorithms for designing quantum circuits with specific goals, focusing on two particular tasks. The first one is motivated by the ideas of Artificial Life that are used to reproduce stochastic cellular automata with given rules. We test the robustness of quantum implementations of the cellular automata for different numbers of quantum gates The second task deals with the sampling of quantum circuits that generate highly entangled quantum states, which constitute an important resource for quantum computing. In particular, an evolutionary algorithm is employed to optimize circuits with respect to a fitness function defined with the Mayer-Wallach entanglement measure. We demonstrate that, by balancing the mutation rate between exploration and exploitation, we can find entangling quantum circuits for up to five qubits. We also discuss the trade-off between the number of gates in quantum circuits and the computational costs of finding the gate arrangements leading to a strongly entangled state. Our findings provide additional insight into the trade-off between the complexity of a circuit and its performance, which is an important factor in the design of quantum circuits.

We present a novel application of evolutionary algorithms to automate the creation of powerful foundation models. While model merging has emerged as a promising approach for LLM development due to its cost-effectiveness, it currently relies on human intuition and domain knowledge, limiting its potential. Here, we propose an evolutionary approach that overcomes this limitation by automatically discovering effective combinations of diverse open-source models, harnessing their collective intelligence without requiring extensive additional training data or compute. Our approach operates in both parameter space and data flow space, allowing for optimization beyond just the weights of the individual models. This approach even facilitates cross-domain merging, generating models like a Japanese LLM with Math reasoning capabilities. Surprisingly, our Japanese Math LLM achieved state-of-the-art performance on a variety of established Japanese LLM benchmarks, even surpassing models with significantly more parameters, despite not being explicitly trained for such tasks. Furthermore, a culturally-aware Japanese VLM generated through our approach demonstrates its effectiveness in describing Japanese culture-specific content, outperforming previous Japanese VLMs. This work not only contributes new state-of-the-art models back to the open-source community, but also introduces a new paradigm for automated model composition, paving the way for exploring alternative, efficient approaches to foundation model development.

Heuristics are widely used for dealing with complex search and optimization problems. However, manual design of heuristics can be often very labour extensive and requires rich working experience and knowledge. This paper proposes Evolution of Heuristic (EoH), a novel evolutionary paradigm that leverages both Large Language Models (LLMs) and Evolutionary Computation (EC) methods for Automatic Heuristic Design (AHD). EoH represents the ideas of heuristics in natural language, termed thoughts. They are then translated into executable codes by LLMs. The evolution of both thoughts and codes in an evolutionary search framework makes it very effective and efficient for generating high-performance heuristics. Experiments on three widely studied combinatorial optimization benchmark problems demonstrate that EoH outperforms commonly used handcrafted heuristics and other recent AHD methods including FunSearch. Particularly, the heuristic produced by EoH with a low computational budget (in terms of the number of queries to LLMs) significantly outperforms widely-used human hand-crafted baseline algorithms for the online bin packing problem.

Evolvability is an important feature that impacts the ability of evolutionary processes to find interesting novel solutions and to deal with changing conditions of the problem to solve. The estimation of evolvability is not straightforward and is generally too expensive to be directly used as selective pressure in the evolutionary process. Indirectly promoting evolvability as a side effect of other easier and faster to compute selection pressures would thus be advantageous. In an unbounded behavior space, it has already been shown that evolvable individuals naturally appear and tend to be selected as they are more likely to invade empty behavior niches. Evolvability is thus a natural byproduct of the search in this context. However, practical agents and environments often impose limits on the reach-able behavior space. How do these boundaries impact evolvability? In this context, can evolvability still be promoted without explicitly rewarding it? We show that Novelty Search implicitly creates a pressure for high evolvability even in bounded behavior spaces, and explore the reasons for such a behavior. More precisely we show that, throughout the search, the dynamic evaluation of novelty rewards individuals which are very mobile in the behavior space, which in turn promotes evolvability.

In a convergence of machine learning and biology, we reveal that diffusion models are evolutionary algorithms. By considering evolution as a denoising process and reversed evolution as diffusion, we mathematically demonstrate that diffusion models inherently perform evolutionary algorithms, naturally encompassing selection, mutation, and reproductive isolation. Building on this equivalence, we propose the Diffusion Evolution method: an evolutionary algorithm utilizing iterative denoising -- as originally introduced in the context of diffusion models -- to heuristically refine solutions in parameter spaces. Unlike traditional approaches, Diffusion Evolution efficiently identifies multiple optimal solutions and outperforms prominent mainstream evolutionary algorithms. Furthermore, leveraging advanced concepts from diffusion models, namely latent space diffusion and accelerated sampling, we introduce Latent Space Diffusion Evolution, which finds solutions for evolutionary tasks in high-dimensional complex parameter space while significantly reducing computational steps. This parallel between diffusion and evolution not only bridges two different fields but also opens new avenues for mutual enhancement, raising questions about open-ended evolution and potentially utilizing non-Gaussian or discrete diffusion models in the context of Diffusion Evolution.

We propose a new concept, Evolution 6.0, which represents the evolution of robotics driven by Generative AI. When a robot lacks the necessary tools to accomplish a task requested by a human, it autonomously designs the required instruments and learns how to use them to achieve the goal. Evolution 6.0 is an autonomous robotic system powered by Vision-Language Models (VLMs), Vision-Language Action (VLA) models, and Text-to-3D generative models for tool design and task execution. The system comprises two key modules: the Tool Generation Module, which fabricates task-specific tools from visual and textual data, and the Action Generation Module, which converts natural language instructions into robotic actions. It integrates QwenVLM for environmental understanding, OpenVLA for task execution, and Llama-Mesh for 3D tool generation. Evaluation results demonstrate a 90% success rate for tool generation with a 10-second inference time, and action generation achieving 83.5% in physical and visual generalization, 70% in motion generalization, and 37% in semantic generalization. Future improvements will focus on bimanual manipulation, expanded task capabilities, and enhanced environmental interpretation to improve real-world adaptability.

Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.

Although Deep Reinforcement Learning (DRL) methods can learn effective policies for challenging problems such as Atari games and robotics tasks, algorithms are complex and training times are often long. This study investigates how evolution strategies (ES) perform compared to gradient-based deep reinforcement learning methods. We use ES to optimize the weights of a neural network via neuroevolution, performing direct policy search. We benchmark both regular networks and policy networks consisting of a single linear layer from observations to actions; for three classical ES methods and for three gradient-based methods such as PPO. Our results reveal that ES can find effective linear policies for many RL benchmark tasks, in contrast to DRL methods that can only find successful policies using much larger networks, suggesting that current benchmarks are easier to solve than previously assumed. Interestingly, also for higher complexity tasks, ES achieves results comparable to gradient-based DRL algorithms. Furthermore, we find that by directly accessing the memory state of the game, ES are able to find successful policies in Atari, outperforming DQN. While gradient-based methods have dominated the field in recent years, ES offers an alternative that is easy to implement, parallelize, understand, and tune.

The study of hardest and easiest fitness landscapes is an active area of research. Recently, Kaufmann, Larcher, Lengler and Zou conjectured that for the self-adjusting (1,lambda)-EA, Adversarial Dynamic BinVal (ADBV) is the hardest dynamic monotone function to optimize. We introduce the function Switching Dynamic BinVal (SDBV) which coincides with ADBV whenever the number of remaining zeros in the search point is strictly less than n/2, where n denotes the dimension of the search space. We show, using a combinatorial argument, that for the (1+1)-EA with any mutation rate p in [0,1], SDBV is drift-minimizing among the class of dynamic monotone functions. Our construction provides the first explicit example of an instance of the partially-ordered evolutionary algorithm (PO-EA) model with parameterized pessimism introduced by Colin, Doerr and F\'erey, building on work of Jansen. We further show that the (1+1)-EA optimizes SDBV in Theta(n^{3/2}) generations. Our simulations demonstrate matching runtimes for both static and self-adjusting (1,lambda) and (1+lambda)-EA. We further show, using an example of fixed dimension, that drift-minimization does not equal maximal runtime.

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.

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.

A hallmark of intelligence is the ability to autonomously learn new flexible, cognitive behaviors - that is, behaviors where the appropriate action depends not just on immediate stimuli (as in simple reflexive stimulus-response associations), but on contextual information that must be adequately acquired, stored and processed. While many meta-learning algorithms can design agents that autonomously learn new tasks, cognitive tasks adds another level of learning and memory to typical ``learning-to-learn'' problems. Here we evolve neural networks, endowed with plastic connections and neuromodulation, over a sizable set of simple cognitive tasks adapted from a computational neuroscience framework. The resulting evolved networks can automatically modify their own connectivity to acquire a novel simple cognitive task, never seen during evolution, from stimuli and rewards alone, through the spontaneous operation of their evolved neural organization and plasticity system. Our results emphasize the importance of carefully considering the multiple learning loops involved in the emergence of intelligent behavior.

Network Architecture Search and specifically Regularized Evolution is a common way to refine the structure of a deep learning model.However, little is known about how models empirically evolve over time which has design implications for designing caching policies, refining the search algorithm for particular applications, and other important use cases.In this work, we algorithmically analyze and quantitatively characterize the patterns of model evolution for a set of models from the Candle project and the Nasbench-201 search space.We show how the evolution of the model structure is influenced by the regularized evolution algorithm. We describe how evolutionary patterns appear in distributed settings and opportunities for caching and improved scheduling. Lastly, we describe the conditions that affect when particular model architectures rise and fall in popularity based on their frequency of acting as a donor in a sliding window.

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or "training horizon". In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent's training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent's lifetime.

Mixed Integer Linear Programming (MILP) is essential for modeling complex decision-making problems but faces challenges in computational tractability and requires expert formulation. Current deep learning approaches for MILP focus on specific problem classes and do not generalize to unseen classes. To address this shortcoming, we take a foundation model training approach, where we train a single deep learning model on a diverse set of MILP problems to generalize across problem classes. As existing datasets for MILP lack diversity and volume, we introduce MILP-Evolve, a novel LLM-based evolutionary framework that is capable of generating a large set of diverse MILP classes with an unlimited amount of instances. We study our methodology on three key learning tasks that capture diverse aspects of MILP: (1) integrality gap prediction, (2) learning to branch, and (3) a new task of aligning MILP instances with natural language descriptions. Our empirical results show that models trained on the data generated by MILP-Evolve achieve significant improvements on unseen problems, including MIPLIB benchmarks. Our work highlights the potential of moving towards a foundation model approach for MILP that can generalize to a broad range of MILP applications. Our code and data are publicly available at https://github.com/microsoft/OptiGuide.

Maintaining genetic diversity as a means to avoid premature convergence is critical in Genetic Programming. Several approaches have been proposed to achieve this, with some focusing on the mating phase from coupling dissimilar solutions to some form of self-adaptive selection mechanism. In nature, genetic diversity can be the consequence of many different factors, but when considering reproduction Sexual Selection can have an impact on promoting variety within a species. Specifically, Mate Choice often results in different selective pressures between sexes, which in turn may trigger evolutionary differences among them. Although some mechanisms of Sexual Selection have been applied to Genetic Programming in the past, the literature is scarce when it comes to mate choice. Recently, a way of modelling mating preferences by ideal mate representations was proposed, achieving good results when compared to a standard approach. These mating preferences evolve freely in a self-adaptive fashion, creating an evolutionary driving force of its own alongside fitness pressure. The inner mechanisms of this approach operate from personal choice, as each individual has its own representation of a perfect mate which affects the mate to be selected. In this paper, we compare this method against a random mate choice to assess whether there are advantages in evolving personal preferences. We conducted experiments using three symbolic regression problems and different mutation rates. The results show that self-adaptive mating preferences are able to create a more diverse set of solutions when compared to the traditional approach and a random mate approach (with statistically significant differences) and have a higher success rate in three of the six instances tested.

We propose an evolution strategies-based algorithm for estimating gradients in unrolled computation graphs, called ES-Single. Similarly to the recently-proposed Persistent Evolution Strategies (PES), ES-Single is unbiased, and overcomes chaos arising from recursive function applications by smoothing the meta-loss landscape. ES-Single samples a single perturbation per particle, that is kept fixed over the course of an inner problem (e.g., perturbations are not re-sampled for each partial unroll). Compared to PES, ES-Single is simpler to implement and has lower variance: the variance of ES-Single is constant with respect to the number of truncated unrolls, removing a key barrier in applying ES to long inner problems using short truncations. We show that ES-Single is unbiased for quadratic inner problems, and demonstrate empirically that its variance can be substantially lower than that of PES. ES-Single consistently outperforms PES on a variety of tasks, including a synthetic benchmark task, hyperparameter optimization, training recurrent neural networks, and training learned optimizers.

Solving NP-hard problems traditionally relies on heuristics, yet manually designing effective heuristics for complex problems remains a significant challenge. While recent advancements like FunSearch have shown that large language models (LLMs) can be integrated into evolutionary algorithms (EAs) for heuristic design, their potential is hindered by limitations in balancing exploitation and exploration. We introduce Quality-Uncertainty Balanced Evolution (QUBE), a novel approach that enhances LLM+EA methods by redefining the priority criterion within the FunSearch framework. QUBE employs the Quality-Uncertainty Trade-off Criterion (QUTC), based on our proposed Uncertainty-Inclusive Quality metric, to evaluate and guide the evolutionary process. Through extensive experiments on challenging NP-complete problems, QUBE demonstrates significant performance improvements over FunSearch and baseline methods. Our code are available at https://github.com/zzjchen/QUBE\_code.

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.

Choosing automatically the right algorithm using problem descriptors is a classical component of combinatorial optimization. It is also a good tool for making evolutionary algorithms fast, robust and versatile. We present Shiwa, an algorithm good at both discrete and continuous, noisy and noise-free, sequential and parallel, black-box optimization. Our algorithm is experimentally compared to competitors on YABBOB, a BBOB comparable testbed, and on some variants of it, and then validated on several real world testbeds.

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.

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents due to their generalized capabilities. Current approaches either have LLM-based agents imitate expert-provided trajectories step-by-step, requiring human supervision, which is hard to scale and limits environmental exploration; or they let agents explore and learn in isolated environments, resulting in specialist agents with limited generalization. In this paper, we take the first step towards building generally-capable LLM-based agents with self-evolution ability. We identify a trinity of ingredients: 1) diverse environments for agent exploration and learning, 2) a trajectory set to equip agents with basic capabilities and prior knowledge, and 3) an effective and scalable evolution method. We propose AgentGym, a new framework featuring a variety of environments and tasks for broad, real-time, uni-format, and concurrent agent exploration. AgentGym also includes a database with expanded instructions, a benchmark suite, and high-quality trajectories across environments. Next, we propose a novel method, AgentEvol, to investigate the potential of agent self-evolution beyond previously seen data across tasks and environments. Experimental results show that the evolved agents can achieve results comparable to SOTA models. We release the AgentGym suite, including the platform, dataset, benchmark, checkpoints, and algorithm implementations. The AgentGym suite is available on https://github.com/WooooDyy/AgentGym.

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

Noise is a ubiquitous feature of the physical world. As a result, the first prerequisite of life is fault tolerance: maintaining integrity of state despite external bombardment. Recent experimental advances have revealed that biological systems achieve fault tolerance by implementing mathematically intricate error-correcting codes and by organizing in a modular fashion that physically separates functionally distinct subsystems. These elaborate structures represent a vanishing volume in the massive genetic configuration space. How is it possible that the primitive process of evolution, by which all biological systems evolved, achieved such unusual results? In this work, through experiments in Boolean networks, we show that the simultaneous presence of error correction and modularity in biological systems is no coincidence. Rather, it is a typical co-occurrence in noisy dynamic systems undergoing evolution. From this, we deduce the principle of error correction enhanced evolvability: systems possessing error-correcting codes are more effectively improved by evolution than those without.

Feature selection is one of the most challenging issues in machine learning, especially while working with high dimensional data. In this paper, we address the problem of feature selection and propose a new approach called Evolving Fast and Slow. This new approach is based on using two parallel genetic algorithms having high and low mutation rates, respectively. Evolving Fast and Slow requires a new parallel architecture combining an automatic system that evolves fast and an effortful system that evolves slow. With this architecture, exploration and exploitation can be done simultaneously and in unison. Evolving fast, with high mutation rate, can be useful to explore new unknown places in the search space with long jumps; and Evolving Slow, with low mutation rate, can be useful to exploit previously known places in the search space with short movements. Our experiments show that Evolving Fast and Slow achieves very good results in terms of both accuracy and feature elimination.

Reproducing buggy code is the first and crucially important step in issue resolving, as it aids in identifying the underlying problems and validating that generated patches resolve the problem. While numerous approaches have been proposed for this task, they primarily address common, widespread errors and struggle to adapt to unique, evolving errors specific to individual code repositories. To fill this gap, we propose EvoCoder, a multi-agent continuous learning framework for issue code reproduction. EvoCoder adopts a reflection mechanism that allows the LLM to continuously learn from previously resolved problems and dynamically refine its strategies to new emerging challenges. To prevent experience bloating, EvoCoder introduces a novel hierarchical experience pool that enables the model to adaptively update common and repo-specific experiences. Our experimental results show a 20\% improvement in issue reproduction rates over existing SOTA methods. Furthermore, integrating our reproduction mechanism significantly boosts the overall accuracy of the existing issue-resolving pipeline.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

The widespread applicability and increasing omnipresence of LLMs have instigated a need to align LLM responses to user and stakeholder preferences. Many preference optimization approaches have been proposed that fine-tune LLM parameters to achieve good alignment. However, such parameter tuning is known to interfere with model performance on many tasks. Moreover, keeping up with shifting user preferences is tricky in such a situation. Decoding-time alignment with reward model guidance solves these issues at the cost of increased inference time. However, most of such methods fail to strike the right balance between exploration and exploitation of reward -- often due to the conflated formulation of these two aspects - to give well-aligned responses. To remedy this we decouple these two aspects and implement them in an evolutionary fashion: exploration is enforced by decoding from mutated instructions and exploitation is represented as the periodic replacement of poorly-rewarded generations with well-rewarded ones. Empirical evidences indicate that this strategy outperforms many preference optimization and decode-time alignment approaches on two widely accepted alignment benchmarks AlpacaEval 2 and MT-Bench. Our implementation will be available at: https://darwin-alignment.github.io.

Agents based on Large Language Models (LLMs) are increasingly permeating various domains of human production and life, highlighting the importance of aligning them with human values. The current alignment of AI systems primarily focuses on passively aligning LLMs through human intervention. However, agents possess characteristics like receiving environmental feedback and self-evolution, rendering the LLM alignment methods inadequate. In response, we propose an evolutionary framework for agent evolution and alignment, named EvolutionaryAgent, which transforms agent alignment into a process of evolution and selection under the principle of survival of the fittest. In an environment where social norms continuously evolve, agents better adapted to the current social norms will have a higher probability of survival and proliferation, while those inadequately aligned dwindle over time. Experimental results assessing the agents from multiple perspectives in aligning with social norms demonstrate that EvolutionaryAgent can align progressively better with the evolving social norms while maintaining its proficiency in general tasks. Effectiveness tests conducted on various open and closed-source LLMs as the foundation for agents also prove the applicability of our approach.

Cultural accumulation drives the open-ended and diverse progress in capabilities spanning human history. It builds an expanding body of knowledge and skills by combining individual exploration with inter-generational information transmission. Despite its widespread success among humans, the capacity for artificial learning agents to accumulate culture remains under-explored. In particular, approaches to reinforcement learning typically strive for improvements over only a single lifetime. Generational algorithms that do exist fail to capture the open-ended, emergent nature of cultural accumulation, which allows individuals to trade-off innovation and imitation. Building on the previously demonstrated ability for reinforcement learning agents to perform social learning, we find that training setups which balance this with independent learning give rise to cultural accumulation. These accumulating agents outperform those trained for a single lifetime with the same cumulative experience. We explore this accumulation by constructing two models under two distinct notions of a generation: episodic generations, in which accumulation occurs via in-context learning and train-time generations, in which accumulation occurs via in-weights learning. In-context and in-weights cultural accumulation can be interpreted as analogous to knowledge and skill accumulation, respectively. To the best of our knowledge, this work is the first to present general models that achieve emergent cultural accumulation in reinforcement learning, opening up new avenues towards more open-ended learning systems, as well as presenting new opportunities for modelling human culture.

Evolutionary model merging enables the creation of high-performing multi-task models but remains computationally prohibitive for consumer hardware. We introduce MERGE^3, an efficient framework that makes evolutionary merging feasible on a single GPU by reducing fitness computation costs 50times while preserving performance. MERGE^3 achieves this by Extracting a reduced dataset for evaluation, Estimating model abilities using Item Response Theory (IRT), and Evolving optimal merges via IRT-based performance estimators. Our method enables state-of-the-art multilingual and cross-lingual merging, transferring knowledge across languages with significantly lower computational overhead. We provide theoretical guarantees and an open-source library, democratizing high-quality model merging.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

This paper claims that machine learning (ML) largely overlooks an important facet of general intelligence: robustness to a qualitatively unknown future in an open world. Such robustness relates to Knightian uncertainty (KU) in economics, i.e. uncertainty that cannot be quantified, which is excluded from consideration in ML's key formalisms. This paper aims to identify this blind spot, argue its importance, and catalyze research into addressing it, which we believe is necessary to create truly robust open-world AI. To help illuminate the blind spot, we contrast one area of ML, reinforcement learning (RL), with the process of biological evolution. Despite staggering ongoing progress, RL still struggles in open-world situations, often failing under unforeseen situations. For example, the idea of zero-shot transferring a self-driving car policy trained only in the US to the UK currently seems exceedingly ambitious. In dramatic contrast, biological evolution routinely produces agents that thrive within an open world, sometimes even to situations that are remarkably out-of-distribution (e.g. invasive species; or humans, who do undertake such zero-shot international driving). Interestingly, evolution achieves such robustness without explicit theory, formalisms, or mathematical gradients. We explore the assumptions underlying RL's typical formalisms, showing how they limit RL's engagement with the unknown unknowns characteristic of an ever-changing complex world. Further, we identify mechanisms through which evolutionary processes foster robustness to novel and unpredictable challenges, and discuss potential pathways to algorithmically embody them. The conclusion is that the intriguing remaining fragility of ML may result from blind spots in its formalisms, and that significant gains may result from direct confrontation with the challenge of KU.

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 .

In this work we create agents that can perform well beyond a single, individual task, that exhibit much wider generalisation of behaviour to a massive, rich space of challenges. We define a universe of tasks within an environment domain and demonstrate the ability to train agents that are generally capable across this vast space and beyond. The environment is natively multi-agent, spanning the continuum of competitive, cooperative, and independent games, which are situated within procedurally generated physical 3D worlds. The resulting space is exceptionally diverse in terms of the challenges posed to agents, and as such, even measuring the learning progress of an agent is an open research problem. We propose an iterative notion of improvement between successive generations of agents, rather than seeking to maximise a singular objective, allowing us to quantify progress despite tasks being incomparable in terms of achievable rewards. We show that through constructing an open-ended learning process, which dynamically changes the training task distributions and training objectives such that the agent never stops learning, we achieve consistent learning of new behaviours. The resulting agent is able to score reward in every one of our humanly solvable evaluation levels, with behaviour generalising to many held-out points in the universe of tasks. Examples of this zero-shot generalisation include good performance on Hide and Seek, Capture the Flag, and Tag. Through analysis and hand-authored probe tasks we characterise the behaviour of our agent, and find interesting emergent heuristic behaviours such as trial-and-error experimentation, simple tool use, option switching, and cooperation. Finally, we demonstrate that the general capabilities of this agent could unlock larger scale transfer of behaviour through cheap finetuning.

Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical Genetic Programming (GP) algorithms. Unlike their GP counterparts, these neural approaches are trained to generate expressions from datasets given as context. This allows them to produce accurate expressions in a single forward pass at test time. However, they usually do not benefit from search abilities, which result in low performance compared to GP on out-of-distribution datasets. In this paper, we propose a novel method which provides the best of both worlds, based on a Monte-Carlo Tree Search procedure using a context-aware neural mutation model, which is initially pre-trained to learn promising mutations, and further refined from successful experiences in an online fashion. The approach demonstrates state-of-the-art performance on the well-known SRBench benchmark.

Zero-shot coordination in cooperative artificial intelligence (AI) remains a significant challenge, which means effectively coordinating with a wide range of unseen partners. Previous algorithms have attempted to address this challenge by optimizing fixed objectives within a population to improve strategy or behaviour diversity. However, these approaches can result in a loss of learning and an inability to cooperate with certain strategies within the population, known as cooperative incompatibility. To address this issue, we propose the Cooperative Open-ended LEarning (COLE) framework, which constructs open-ended objectives in cooperative games with two players from the perspective of graph theory to assess and identify the cooperative ability of each strategy. We further specify the framework and propose a practical algorithm that leverages knowledge from game theory and graph theory. Furthermore, an analysis of the learning process of the algorithm shows that it can efficiently overcome cooperative incompatibility. The experimental results in the Overcooked game environment demonstrate that our method outperforms current state-of-the-art methods when coordinating with different-level partners. Our demo is available at https://sites.google.com/view/cole-2023.

Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.

We propose a novel type of Artificial Immune System (AIS): Symbiotic Artificial Immune Systems (SAIS), drawing inspiration from symbiotic relationships in biology. SAIS parallels the three key stages (i.e., mutualism, commensalism and parasitism) of population updating from the Symbiotic Organisms Search (SOS) algorithm. This parallel approach effectively addresses the challenges of large population size and enhances population diversity in AIS, which traditional AIS and SOS struggle to resolve efficiently. We conducted a series of experiments, which demonstrated that our SAIS achieved comparable performance to the state-of-the-art approach SOS and outperformed other popular AIS approaches and evolutionary algorithms across 26 benchmark problems. Furthermore, we investigated the problem of parameter selection and found that SAIS performs better in handling larger population sizes while requiring fewer generations. Finally, we believe SAIS, as a novel bio-inspired and immune-inspired algorithm, paves the way for innovation in bio-inspired computing with the symbiotic paradigm.

Multi-cellular robot design aims to create robots comprised of numerous cells that can be efficiently controlled to perform diverse tasks. Previous research has demonstrated the ability to generate robots for various tasks, but these approaches often optimize robots directly in the vast design space, resulting in robots with complicated morphologies that are hard to control. In response, this paper presents a novel coarse-to-fine method for designing multi-cellular robots. Initially, this strategy seeks optimal coarse-grained robots and progressively refines them. To mitigate the challenge of determining the precise refinement juncture during the coarse-to-fine transition, we introduce the Hyperbolic Embeddings for Robot Design (HERD) framework. HERD unifies robots of various granularity within a shared hyperbolic space and leverages a refined Cross-Entropy Method for optimization. This framework enables our method to autonomously identify areas of exploration in hyperbolic space and concentrate on regions demonstrating promise. Finally, the extensive empirical studies on various challenging tasks sourced from EvoGym show our approach's superior efficiency and generalization capability.

Code pre-trained models have shown promising effectiveness in various software engineering tasks. Among these tasks, many tasks are related to software evolution and/or code editing. However, existing code pre-trained models often overlook the real-world code editing data and the evolutionary nature of the editing process. In this paper, to simulate the step-by-step code editing process of human developers, we propose DivoT5, a pre-trained model based on directional diffusion at the data level. In DivoT5, we adopt two categories of pre-training tasks. The first category is mask and denoising tasks augmented with a diffusion direction representing code evolution. That is, we first apply a noising process to the code snippets before evolution, and then ask the pre-training process to restore the snippets with noise into the code snippets after evolution. The second category is tasks aiming to reinforce the evolutionary direction. That is, we first generate various intermediate versions for each pair of snippets before and after evolution, and then ask the pre-training process to transform the intermediate versions into the snippet after evolution for each pair. We evaluate DivoT5 for two code-editing scenarios and one non-editing scenario using five downstream tasks. Given each downstream task, we fine-tune the pre-trained DivoT5 to evaluate its effectiveness. Our experimental results show that DivoT5 achieves state-of-the-art (SOTA) performance on most tasks in comparison to models of the same scale (220M), large scale (770M) models in fine-tuning, and billion-scale (6.7B, 8B, ChatGPT) models in few-shot settings. For one code-editing task (i.e., automated code review), DivoT5 pre-trained on top of CodeT5-small (60M) can even outperform CodeT5-base (220M) and other pre-trained models with 220M parameters except for DivoT5 pre-trained on top of CodeT5-base (220M).

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.

Self-replication is a key aspect of biological life that has been largely overlooked in Artificial Intelligence systems. Here we describe how to build and train self-replicating neural networks. The network replicates itself by learning to output its own weights. The network is designed using a loss function that can be optimized with either gradient-based or non-gradient-based methods. We also describe a method we call regeneration to train the network without explicit optimization, by injecting the network with predictions of its own parameters. The best solution for a self-replicating network was found by alternating between regeneration and optimization steps. Finally, we describe a design for a self-replicating neural network that can solve an auxiliary task such as MNIST image classification. We observe that there is a trade-off between the network's ability to classify images and its ability to replicate, but training is biased towards increasing its specialization at image classification at the expense of replication. This is analogous to the trade-off between reproduction and other tasks observed in nature. We suggest that a self-replication mechanism for artificial intelligence is useful because it introduces the possibility of continual improvement through natural selection.

Mobile phone agents can assist people in automating daily tasks on their phones, which have emerged as a pivotal research spotlight. However, existing procedure-oriented agents struggle with cross-app instructions, due to the following challenges: (1) complex task relationships, (2) diverse app environment, and (3) error propagation and information loss in multi-step execution. Drawing inspiration from object-oriented programming principles, we recognize that object-oriented solutions is more suitable for cross-app instruction. To address these challenges, we propose a self-evolving multi-agent framework named MobileSteward, which integrates multiple app-oriented StaffAgents coordinated by a centralized StewardAgent. We design three specialized modules in MobileSteward: (1) Dynamic Recruitment generates a scheduling graph guided by information flow to explicitly associate tasks among apps. (2) Assigned Execution assigns the task to app-oriented StaffAgents, each equipped with app-specialized expertise to address the diversity between apps. (3) Adjusted Evaluation conducts evaluation to provide reflection tips or deliver key information, which alleviates error propagation and information loss during multi-step execution. To continuously improve the performance of MobileSteward, we develop a Memory-based Self-evolution mechanism, which summarizes the experience from successful execution, to improve the performance of MobileSteward. We establish the first English Cross-APP Benchmark (CAPBench) in the real-world environment to evaluate the agents' capabilities of solving complex cross-app instructions. Experimental results demonstrate that MobileSteward achieves the best performance compared to both single-agent and multi-agent frameworks, highlighting the superiority of MobileSteward in better handling user instructions with diverse complexity.

Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a "drift" function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.

Neural architecture search (NAS) methods rely on a search strategy for deciding which architectures to evaluate next and a performance estimation strategy for assessing their performance (e.g., using full evaluations, multi-fidelity evaluations, or the one-shot model). In this paper, we focus on the search strategy. We introduce the simple yet powerful evolutionary algorithm of differential evolution to the NAS community. Using the simplest performance evaluation strategy of full evaluations, we comprehensively compare this search strategy to regularized evolution and Bayesian optimization and demonstrate that it yields improved and more robust results for 13 tabular NAS benchmarks based on NAS-Bench-101, NAS-Bench-1Shot1, NAS-Bench-201 and NAS-HPO bench.

Exploration is a key problem in reinforcement learning, since agents can only learn from data they acquire in the environment. With that in mind, maintaining a population of agents is an attractive method, as it allows data be collected with a diverse set of behaviors. This behavioral diversity is often boosted via multi-objective loss functions. However, those approaches typically leverage mean field updates based on pairwise distances, which makes them susceptible to cycling behaviors and increased redundancy. In addition, explicitly boosting diversity often has a detrimental impact on optimizing already fruitful behaviors for rewards. As such, the reward-diversity trade off typically relies on heuristics. Finally, such methods require behavioral representations, often handcrafted and domain specific. In this paper, we introduce an approach to optimize all members of a population simultaneously. Rather than using pairwise distance, we measure the volume of the entire population in a behavioral manifold, defined by task-agnostic behavioral embeddings. In addition, our algorithm Diversity via Determinants (DvD), adapts the degree of diversity during training using online learning techniques. We introduce both evolutionary and gradient-based instantiations of DvD and show they effectively improve exploration without reducing performance when better exploration is not required.

In this paper, we present a pure-Python library called PyPop7 for black-box optimization (BBO). As population-based methods are becoming increasingly popular for BBO, our design goal is to provide a unified API and elegant implementations for them, particularly in high-dimensional cases. Since population-based methods suffer easily from the curse of dimensionality owing to their random sampling nature, various improvements have been proposed to alleviate this issue via exploiting possible problem structures: such as space decomposition, low-memory approximation, low-rank metric learning, variance reduction, ensemble of random subspaces, model self-adaptation, and smoothing. Now PyPop7 has covered these advances with >72 versions and variants of 13 BBO algorithm families from different research communities. Its open-source code and full-fledged documents are available at https://github.com/Evolutionary-Intelligence/pypop and https://pypop.readthedocs.io, respectively.

The evolution of large language models (LLMs) toward artificial superhuman intelligence (ASI) hinges on data reproduction, a cyclical process in which models generate, curate and retrain on novel data to refine capabilities. Current methods, however, risk getting stuck in a data reproduction trap: optimizing outputs within fixed human-generated distributions in a closed loop leads to stagnation, as models merely recombine existing knowledge rather than explore new frontiers. In this paper, we propose language games as a pathway to expanded data reproduction, breaking this cycle through three mechanisms: (1) role fluidity, which enhances data diversity and coverage by enabling multi-agent systems to dynamically shift roles across tasks; (2) reward variety, embedding multiple feedback criteria that can drive complex intelligent behaviors; and (3) rule plasticity, iteratively evolving interaction constraints to foster learnability, thereby injecting continual novelty. By scaling language games into global sociotechnical ecosystems, human-AI co-evolution generates unbounded data streams that drive open-ended exploration. This framework redefines data reproduction not as a closed loop but as an engine for superhuman intelligence.

How areas of land are allocated for different uses, such as forests, urban areas, and agriculture, has a large effect on the terrestrial carbon balance, and therefore climate change. Based on available historical data on land-use changes and a simulation of the associated carbon emissions and removals, a surrogate model can be learned that makes it possible to evaluate the different options available to decision-makers efficiently. An evolutionary search process can then be used to discover effective land-use policies for specific locations. Such a system was built on the Project Resilience platform and evaluated with the Land-Use Harmonization dataset LUH2 and the bookkeeping model BLUE. It generates Pareto fronts that trade off carbon impact and amount of land-use change customized to different locations, thus providing a potentially useful tool for land-use planning.

Agentic AI systems use specialized agents to handle tasks within complex workflows, enabling automation and efficiency. However, optimizing these systems often requires labor-intensive, manual adjustments to refine roles, tasks, and interactions. This paper introduces a framework for autonomously optimizing Agentic AI solutions across industries, such as NLP-driven enterprise applications. The system employs agents for Refinement, Execution, Evaluation, Modification, and Documentation, leveraging iterative feedback loops powered by an LLM (Llama 3.2-3B). The framework achieves optimal performance without human input by autonomously generating and testing hypotheses to improve system configurations. This approach enhances scalability and adaptability, offering a robust solution for real-world applications in dynamic environments. Case studies across diverse domains illustrate the transformative impact of this framework, showcasing significant improvements in output quality, relevance, and actionability. All data for these case studies, including original and evolved agent codes, along with their outputs, are here: https://anonymous.4open.science/r/evolver-1D11/

The paper introduces D-CODE, a new framework blending Data Colony Optimization (DCO) algorithms inspired by biological colonies' collective behaviours with Dynamic Efficiency (DE) models for real-time adaptation. DCO utilizes metaheuristic strategies from ant colonies, bee swarms, and fungal networks to efficiently explore complex data landscapes, while DE enables continuous resource recalibration and process adjustments for optimal performance amidst changing conditions. Through a mixed-methods approach involving simulations and case studies, D-CODE outperforms traditional techniques, showing improvements of 3-4% in solution quality, 2-3 times faster convergence rates, and up to 25% higher computational efficiency. The integration of DCO's robust optimization and DE's dynamic responsiveness positions D-CODE as a transformative paradigm for intelligent systems design, with potential applications in operational efficiency, decision support, and computational intelligence, supported by empirical validation and promising outcomes.

We study the problem of convergence to a stationary point in zero-sum games. We propose competitive gradient optimization (CGO ), a gradient-based method that incorporates the interactions between the two players in zero-sum games for optimization updates. We provide continuous-time analysis of CGO and its convergence properties while showing that in the continuous limit, CGO predecessors degenerate to their gradient descent ascent (GDA) variants. We provide a rate of convergence to stationary points and further propose a generalized class of alpha-coherent function for which we provide convergence analysis. We show that for strictly alpha-coherent functions, our algorithm convergences to a saddle point. Moreover, we propose optimistic CGO (OCGO), an optimistic variant, for which we show convergence rate to saddle points in alpha-coherent class of functions.

LLM-driven multi-agent collaboration (MAC) systems have demonstrated impressive capabilities in automatic software development at the function level. However, their heavy reliance on human design limits their adaptability to the diverse demands of real-world software development. To address this limitation, we introduce EvoMAC, a novel self-evolving paradigm for MAC networks. Inspired by traditional neural network training, EvoMAC obtains text-based environmental feedback by verifying the MAC network's output against a target proxy and leverages a novel textual backpropagation to update the network. To extend coding capabilities beyond function-level tasks to more challenging software-level development, we further propose rSDE-Bench, a requirement-oriented software development benchmark, which features complex and diverse software requirements along with automatic evaluation of requirement correctness. Our experiments show that: i) The automatic requirement-aware evaluation in rSDE-Bench closely aligns with human evaluations, validating its reliability as a software-level coding benchmark. ii) EvoMAC outperforms previous SOTA methods on both the software-level rSDE-Bench and the function-level HumanEval benchmarks, reflecting its superior coding capabilities. The benchmark can be downloaded at https://yuzhu-cai.github.io/rSDE-Bench/.

By merging models, AI systems can combine the distinct strengths of separate language models, achieving a balance between multiple capabilities without requiring substantial retraining. However, the integration process can be intricate due to differences in training methods and fine-tuning, typically necessitating specialized knowledge and repeated refinement. This paper explores model merging techniques across a spectrum of complexity, examining where automated methods like evolutionary strategies stand compared to hyperparameter-driven approaches such as DARE, TIES-Merging and simpler methods like Model Soups. In addition, we introduce Differentiable Adaptive Merging (DAM), an efficient, adaptive merging approach as an alternative to evolutionary merging that optimizes model integration through scaling coefficients, minimizing computational demands. Our findings reveal that even simple averaging methods, like Model Soups, perform competitively when model similarity is high, underscoring each technique's unique strengths and limitations. We open-sourced DAM, including the implementation code and experiment pipeline, on GitHub: https://github.com/arcee-ai/DAM.

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present Symbol, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within Symbol, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by Symbol not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our Symbol framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

Multi-objective optimization problems are ubiquitous in robotics, e.g., the optimization of a robot manipulation task requires a joint consideration of grasp pose configurations, collisions and joint limits. While some demands can be easily hand-designed, e.g., the smoothness of a trajectory, several task-specific objectives need to be learned from data. This work introduces a method for learning data-driven SE(3) cost functions as diffusion models. Diffusion models can represent highly-expressive multimodal distributions and exhibit proper gradients over the entire space due to their score-matching training objective. Learning costs as diffusion models allows their seamless integration with other costs into a single differentiable objective function, enabling joint gradient-based motion optimization. In this work, we focus on learning SE(3) diffusion models for 6DoF grasping, giving rise to a novel framework for joint grasp and motion optimization without needing to decouple grasp selection from trajectory generation. We evaluate the representation power of our SE(3) diffusion models w.r.t. classical generative models, and we showcase the superior performance of our proposed optimization framework in a series of simulated and real-world robotic manipulation tasks against representative baselines.

The rapid advancement of large language models (LLMs) has significantly enhanced the capabilities of AI-driven agents across various tasks. However, existing agentic systems, whether based on fixed pipeline algorithms or pre-defined meta-learning frameworks, cannot search the whole agent design space due to the restriction of human-designed components, and thus might miss the globally optimal agent design. In this paper, we introduce G\"odel Agent, a self-evolving framework inspired by the G\"odel machine, enabling agents to recursively improve themselves without relying on predefined routines or fixed optimization algorithms. G\"odel Agent leverages LLMs to dynamically modify its own logic and behavior, guided solely by high-level objectives through prompting. Experimental results on mathematical reasoning and complex agent tasks demonstrate that implementation of G\"odel Agent can achieve continuous self-improvement, surpassing manually crafted agents in performance, efficiency, and generalizability.

Large language models (LLMs) like GPTs, trained on vast datasets, have demonstrated impressive capabilities in language understanding, reasoning, and planning, achieving human-level performance in various tasks. Most studies focus on enhancing these models by training on ever-larger datasets to build more powerful foundation models. While training stronger models is important, enabling models to evolve during inference is equally crucial, a process we refer to as AI self-evolution. Unlike large-scale training, self-evolution may rely on limited data or interactions. Inspired by the columnar organization of the human cerebral cortex, we hypothesize that AI models could develop cognitive abilities and build internal representations through iterative interactions with their environment. To achieve this, models need long-term memory (LTM) to store and manage processed interaction data. LTM supports self-evolution by representing diverse experiences across environments and agents. In this report, we explore AI self-evolution and its potential to enhance models during inference. We examine LTM's role in lifelong learning, allowing models to evolve based on accumulated interactions. We outline the structure of LTM and the systems needed for effective data retention and representation. We also classify approaches for building personalized models with LTM data and show how these models achieve self-evolution through interaction. Using LTM, our multi-agent framework OMNE achieved first place on the GAIA benchmark, demonstrating LTM's potential for AI self-evolution. Finally, we present a roadmap for future research, emphasizing the importance of LTM for advancing AI technology and its practical applications.

Artificial intelligence (AI), and especially its sub-field of Machine Learning (ML), are impacting the daily lives of everyone with their ubiquitous applications. In recent years, AI researchers and practitioners have introduced principles and guidelines to build systems that make reliable and trustworthy decisions. From a practical perspective, conventional ML systems process historical data to extract the features that are consequently used to train ML models that perform the desired task. However, in practice, a fundamental challenge arises when the system needs to be operationalized and deployed to evolve and operate in real-life environments continuously. To address this challenge, Machine Learning Operations (MLOps) have emerged as a potential recipe for standardizing ML solutions in deployment. Although MLOps demonstrated great success in streamlining ML processes, thoroughly defining the specifications of robust MLOps approaches remains of great interest to researchers and practitioners. In this paper, we provide a comprehensive overview of the trustworthiness property of MLOps systems. Specifically, we highlight technical practices to achieve robust MLOps systems. In addition, we survey the existing research approaches that address the robustness aspects of ML systems in production. We also review the tools and software available to build MLOps systems and summarize their support to handle the robustness aspects. Finally, we present the open challenges and propose possible future directions and opportunities within this emerging field. The aim of this paper is to provide researchers and practitioners working on practical AI applications with a comprehensive view to adopt robust ML solutions in production environments.

Lion (Evolved Sign Momentum), a new optimizer discovered through program search, has shown promising results in training large AI models. It performs comparably or favorably to AdamW but with greater memory efficiency. As we can expect from the results of a random search program, Lion incorporates elements from several existing algorithms, including signed momentum, decoupled weight decay, Polak, and Nesterov momentum, but does not fit into any existing category of theoretically grounded optimizers. Thus, even though Lion appears to perform well as a general-purpose optimizer for a wide range of tasks, its theoretical basis remains uncertain. This lack of theoretical clarity limits opportunities to further enhance and expand Lion's efficacy. This work aims to demystify Lion. Based on both continuous-time and discrete-time analysis, we demonstrate that Lion is a theoretically novel and principled approach for minimizing a general loss function f(x) while enforcing a bound constraint |x|_infty leq 1/lambda. Lion achieves this through the incorporation of decoupled weight decay, where lambda represents the weight decay coefficient. Our analysis is made possible by the development of a new Lyapunov function for the Lion updates. It applies to a broader family of Lion-kappa algorithms, where the sign(cdot) operator in Lion is replaced by the subgradient of a convex function kappa, leading to the solution of a general composite optimization problem of min_x f(x) + kappa^*(x). Our findings provide valuable insights into the dynamics of Lion and pave the way for further improvements and extensions of Lion-related algorithms.

Recent advancements in LLM-based agents have led to significant progress in automatic software engineering, particularly in software maintenance and evolution. Despite these encouraging advances, current research faces two major challenges. First, SOTA performance primarily depends on closed-source models, which significantly limits the technology's accessibility, and potential for customization in diverse SE tasks. Second, these models are predominantly trained on static code data, lacking a deep understanding of the dynamic interactions, iterative problem-solving processes, and evolutionary characteristics inherent in software development. To address these challenges, our study adopts a software engineering perspective. We recognize that real-world software maintenance and evolution processes encompass not only static code data but also developers' thought processes, utilization of external tools, and the interaction between different functional personnel. Consequently, we introduce the Lingma SWE-GPT series, comprising Lingma SWE-GPT 7B and 72B. By learning from and simulating real-world code submission activities, Lingma SWE-GPT systematically incorporates the dynamic interactions and iterative problem-solving inherent in software development process, thereby achieving a more comprehensive understanding of software improvement processes. We conducted experimental evaluations using SWE-bench Verified benchmark. The results demonstrate that Lingma SWE-GPT 72B successfully resolves 30.20% of the GitHub issues, marking a significant improvement in automatic issue resolution (22.76% relative improvement compared to Llama 3.1 405B), approaching the performance of closed-source models (31.80\% issues of GPT-4o resolved). Notably, Lingma SWE-GPT 7B resolves 18.20% of the issues, highlighting the potential for applying smaller models to ASE tasks.

A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution.

Mean-field games have been used as a theoretical tool to obtain an approximate Nash equilibrium for symmetric and anonymous N-player games. However, limiting applicability, existing theoretical results assume variations of a "population generative model", which allows arbitrary modifications of the population distribution by the learning algorithm. Moreover, learning algorithms typically work on abstract simulators with population instead of the N-player game. Instead, we show that N agents running policy mirror ascent converge to the Nash equilibrium of the regularized game within mathcal{O}(varepsilon^{-2}) samples from a single sample trajectory without a population generative model, up to a standard O(1{N}) error due to the mean field. Taking a divergent approach from the literature, instead of working with the best-response map we first show that a policy mirror ascent map can be used to construct a contractive operator having the Nash equilibrium as its fixed point. We analyze single-path TD learning for N-agent games, proving sample complexity guarantees by only using a sample path from the N-agent simulator without a population generative model. Furthermore, we demonstrate that our methodology allows for independent learning by N agents with finite sample guarantees.

Recent advancements in Large Language Models (LLMs) have led to the development of intelligent LLM-based agents capable of interacting with graphical user interfaces (GUIs). These agents demonstrate strong reasoning and adaptability, enabling them to perform complex tasks that traditionally required predefined rules. However, the reliance on step-by-step reasoning in LLM-based agents often results in inefficiencies, particularly for routine tasks. In contrast, traditional rule-based systems excel in efficiency but lack the intelligence and flexibility to adapt to novel scenarios. To address this challenge, we propose a novel evolutionary framework for GUI agents that enhances operational efficiency while retaining intelligence and flexibility. Our approach incorporates a memory mechanism that records the agent's task execution history. By analyzing this history, the agent identifies repetitive action sequences and evolves high-level actions that act as shortcuts, replacing these low-level operations and improving efficiency. This allows the agent to focus on tasks requiring more complex reasoning, while simplifying routine actions. Experimental results on multiple benchmark tasks demonstrate that our approach significantly outperforms existing methods in both efficiency and accuracy. The code will be open-sourced to support further research.

The fields of Origin of Life and Artificial Life both question what life is and how it emerges from a distinct set of "pre-life" dynamics. One common feature of most substrates where life emerges is a marked shift in dynamics when self-replication appears. While there are some hypotheses regarding how self-replicators arose in nature, we know very little about the general dynamics, computational principles, and necessary conditions for self-replicators to emerge. This is especially true on "computational substrates" where interactions involve logical, mathematical, or programming rules. In this paper we take a step towards understanding how self-replicators arise by studying several computational substrates based on various simple programming languages and machine instruction sets. We show that when random, non self-replicating programs are placed in an environment lacking any explicit fitness landscape, self-replicators tend to arise. We demonstrate how this occurs due to random interactions and self-modification, and can happen with and without background random mutations. We also show how increasingly complex dynamics continue to emerge following the rise of self-replicators. Finally, we show a counterexample of a minimalistic programming language where self-replicators are possible, but so far have not been observed to arise.

Embodiment co-design aims to optimize a robot's morphology and control policy simultaneously. While prior work has demonstrated its potential for generating environment-adaptive robots, this field still faces persistent challenges in optimization efficiency due to the (i) combinatorial nature of morphological search spaces and (ii) intricate dependencies between morphology and control. We prove that the ineffective morphology representation and unbalanced reward signals between the design and control stages are key obstacles to efficiency. To advance towards efficient embodiment co-design, we propose BodyGen, which utilizes (1) topology-aware self-attention for both design and control, enabling efficient morphology representation with lightweight model sizes; (2) a temporal credit assignment mechanism that ensures balanced reward signals for optimization. With our findings, Body achieves an average 60.03% performance improvement against state-of-the-art baselines. We provide codes and more results on the website: https://genesisorigin.github.io.

Performing Reinforcement Learning in sparse rewards settings, with very little prior knowledge, is a challenging problem since there is no signal to properly guide the learning process. In such situations, a good search strategy is fundamental. At the same time, not having to adapt the algorithm to every single problem is very desirable. Here we introduce TAXONS, a Task Agnostic eXploration of Outcome spaces through Novelty and Surprise algorithm. Based on a population-based divergent-search approach, it learns a set of diverse policies directly from high-dimensional observations, without any task-specific information. TAXONS builds a repertoire of policies while training an autoencoder on the high-dimensional observation of the final state of the system to build a low-dimensional outcome space. The learned outcome space, combined with the reconstruction error, is used to drive the search for new policies. Results show that TAXONS can find a diverse set of controllers, covering a good part of the ground-truth outcome space, while having no information about such space.

In this research, we compare four different evaluation methods in coevolution on the Majority Function problem. The size of the problem is selected such that evaluation against all possible test cases is feasible. Two measures are used for the comparisons, i.e., the objective fitness derived from evaluating solutions against all test cases, and the objective fitness correlation (OFC), which is defined as the correlation coefficient between subjective and objective fitness. The results of our experiments suggest that a combination of average score and weighted informativeness may provide a more accurate evaluation in coevolution. In order to confirm this difference, a series of t-tests on the preference between each pair of the evaluation methods is performed. The resulting significance is affirmative, and the tests for two quality measures show similar preference on four evaluation methods. %This study is the first time OFC is actually computed on a real problem. Experiments on Majority Function problems with larger sizes and Parity problems are in progress, and their results will be added in the final version.

Learning to Optimize (L2O), a technique that utilizes machine learning to learn an optimization algorithm automatically from data, has gained arising attention in recent years. A generic L2O approach parameterizes the iterative update rule and learns the update direction as a black-box network. While the generic approach is widely applicable, the learned model can overfit and may not generalize well to out-of-distribution test sets. In this paper, we derive the basic mathematical conditions that successful update rules commonly satisfy. Consequently, we propose a novel L2O model with a mathematics-inspired structure that is broadly applicable and generalized well to out-of-distribution problems. Numerical simulations validate our theoretical findings and demonstrate the superior empirical performance of the proposed L2O model.

The NeuroEvolution of Augmenting Topologies (NEAT) algorithm has received considerable recognition in the field of neuroevolution. Its effectiveness is derived from initiating with simple networks and incrementally evolving both their topologies and weights. Although its capability across various challenges is evident, the algorithm's computational efficiency remains an impediment, limiting its scalability potential. In response, this paper introduces a tensorization method for the NEAT algorithm, enabling the transformation of its diverse network topologies and associated operations into uniformly shaped tensors for computation. This advancement facilitates the execution of the NEAT algorithm in a parallelized manner across the entire population. Furthermore, we develop TensorNEAT, a library that implements the tensorized NEAT algorithm and its variants, such as CPPN and HyperNEAT. Building upon JAX, TensorNEAT promotes efficient parallel computations via automated function vectorization and hardware acceleration. Moreover, the TensorNEAT library supports various benchmark environments including Gym, Brax, and gymnax. Through evaluations across a spectrum of robotics control environments in Brax, TensorNEAT achieves up to 500x speedups compared to the existing implementations such as NEAT-Python. Source codes are available at: https://github.com/EMI-Group/tensorneat.

Humans excel at reusing prior knowledge to address new challenges and developing skills while solving problems. This paradigm becomes increasingly popular in the development of autonomous agents, as it develops systems that can self-evolve in response to new challenges like human beings. However, previous methods suffer from limited training efficiency when expanding new skills and fail to fully leverage prior knowledge to facilitate new task learning. In this paper, we propose Parametric Skill Expansion and Composition (PSEC), a new framework designed to iteratively evolve the agents' capabilities and efficiently address new challenges by maintaining a manageable skill library. This library can progressively integrate skill primitives as plug-and-play Low-Rank Adaptation (LoRA) modules in parameter-efficient finetuning, facilitating efficient and flexible skill expansion. This structure also enables the direct skill compositions in parameter space by merging LoRA modules that encode different skills, leveraging shared information across skills to effectively program new skills. Based on this, we propose a context-aware module to dynamically activate different skills to collaboratively handle new tasks. Empowering diverse applications including multi-objective composition, dynamics shift, and continual policy shift, the results on D4RL, DSRL benchmarks, and the DeepMind Control Suite show that PSEC exhibits superior capacity to leverage prior knowledge to efficiently tackle new challenges, as well as expand its skill libraries to evolve the capabilities. Project website: https://ltlhuuu.github.io/PSEC/.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

In symbolic regression, the goal is to find an analytical expression that accurately fits experimental data with the minimal use of mathematical symbols such as operators, variables, and constants. However, the combinatorial space of possible expressions can make it challenging for traditional evolutionary algorithms to find the correct expression in a reasonable amount of time. To address this issue, Neural Symbolic Regression (NSR) algorithms have been developed that can quickly identify patterns in the data and generate analytical expressions. However, these methods, in their current form, lack the capability to incorporate user-defined prior knowledge, which is often required in natural sciences and engineering fields. To overcome this limitation, we propose a novel neural symbolic regression method, named Neural Symbolic Regression with Hypothesis (NSRwH) that enables the explicit incorporation of assumptions about the expected structure of the ground-truth expression into the prediction process. Our experiments demonstrate that the proposed conditioned deep learning model outperforms its unconditioned counterparts in terms of accuracy while also providing control over the predicted expression structure.

In dynamic operational environments, particularly in collaborative robotics, the inevitability of failures necessitates robust and adaptable recovery strategies. Traditional automated recovery strategies, while effective for predefined scenarios, often lack the flexibility required for on-the-fly task management and adaptation to expected failures. Addressing this gap, we propose a novel approach that models recovery behaviors as adaptable robotic skills, leveraging the Behavior Trees and Motion Generators~(BTMG) framework for policy representation. This approach distinguishes itself by employing reinforcement learning~(RL) to dynamically refine recovery behavior parameters, enabling a tailored response to a wide array of failure scenarios with minimal human intervention. We assess our methodology through a series of progressively challenging scenarios within a peg-in-a-hole task, demonstrating the approach's effectiveness in enhancing operational efficiency and task success rates in collaborative robotics settings. We validate our approach using a dual-arm KUKA robot.

Synchronizing production and test code, known as PT co-evolution, is critical for software quality in the software development lifecycle. Existing methods for automatic PT co-evolution either utilize predefined heuristic rules or rely on simple application of machine learning techniques. Due to the limitations of underlying techniques, existing methods either only partially automate PT co-evolution (e.g., only automate obsolete test code identification) or result in low accuracy. In this paper, we propose REACCEPT, a novel approach that leverages large language models and dynamic validation to fully automate PT co-evolution (i.e., capable of both identifying and updating obsolete test cases). REACCEPT relies on experience-based prompt template generation, dynamic validation, and retrieval-augmented generation techniques to accomplish automated PT co-evolution. To evaluate REACCEPT's effectiveness, we extensive experiments with a dataset of 537 Java projects and compared REACCEPT's performance with several state-of-the-art methods. Results show that REACCEPT achieved an update accuracy of 60.16% on correctly identified obsolete test code, surpassing the state-of-the-art technique CEPROT by 90%. This confirms that REACCEPT can effectively assist developers in maintaining test code, improving overall software quality and reducing maintenance effort.

We derive an expression for the variation between parallel trajectories in phenotypic evolution, extending the well known result that predicts the mean evolutionary path in adaptive dynamics or quantitative genetics. We show how this expression gives rise to the notion of fluctuation domains - parts of the fitness landscape where the rate of evolution is very predictable (due to fluctuation dissipation) and parts where it is highly variable (due to fluctuation enhancement). These fluctuation domains are determined by the curvature of the fitness landscape. Regions of the fitness landscape with positive curvature, such as adaptive valleys or branching points, experience enhancement. Regions with negative curvature, such as adaptive peaks, experience dissipation. We explore these dynamics in the ecological scenarios of implicit and explicit competition for a limiting resource.

Automatically generating novel and interesting games is a complex task. Challenges include representing game rules in a computationally workable form, searching through the large space of potential games under most such representations, and accurately evaluating the originality and quality of previously unseen games. Prior work in automated game generation has largely focused on relatively restricted rule representations and relied on domain-specific heuristics. In this work, we explore the generation of novel games in the comparatively expansive Ludii game description language, which encodes the rules of over 1000 board games in a variety of styles and modes of play. We draw inspiration from recent advances in large language models and evolutionary computation in order to train a model that intelligently mutates and recombines games and mechanics expressed as code. We demonstrate both quantitatively and qualitatively that our approach is capable of generating new and interesting games, including in regions of the potential rules space not covered by existing games in the Ludii dataset. A sample of the generated games are available to play online through the Ludii portal.

Imitation learning aims to extract high-performance policies from logged demonstrations of expert behavior. It is common to frame imitation learning as a supervised learning problem in which one fits a function approximator to the input-output mapping exhibited by the logged demonstrations (input observations to output actions). While the framing of imitation learning as a supervised input-output learning problem allows for applicability in a wide variety of settings, it is also an overly simplistic view of the problem in situations where the expert demonstrations provide much richer insight into expert behavior. For example, applications such as path navigation, robot manipulation, and strategy games acquire expert demonstrations via planning, search, or some other multi-step algorithm, revealing not just the output action to be imitated but also the procedure for how to determine this action. While these intermediate computations may use tools not available to the agent during inference (e.g., environment simulators), they are nevertheless informative as a way to explain an expert's mapping of state to actions. To properly leverage expert procedure information without relying on the privileged tools the expert may have used to perform the procedure, we propose procedure cloning, which applies supervised sequence prediction to imitate the series of expert computations. This way, procedure cloning learns not only what to do (i.e., the output action), but how and why to do it (i.e., the procedure). Through empirical analysis on navigation, simulated robotic manipulation, and game-playing environments, we show that imitating the intermediate computations of an expert's behavior enables procedure cloning to learn policies exhibiting significant generalization to unseen environment configurations, including those configurations for which running the expert's procedure directly is infeasible.

This project proposes and compares a new way to optimise Super Mario Bros. (SMB) environment where the control is in hand of two approaches, namely, Genetic Algorithm (MarioGA) and NeuroEvolution (MarioNE). Not only we learn playing SMB using these techniques, but also optimise it with constrains of collection of coins and finishing levels. Firstly, we formalise the SMB agent to maximize the total value of collected coins (reward) and maximising the total distance traveled (reward) in order to finish the level faster (time penalty) for both the algorithms. Secondly, we study MarioGA and its evaluation function (fitness criteria) including its representation methods, crossover used, mutation operator formalism, selection method used, MarioGA loop, and few other parameters. Thirdly, MarioNE is applied on SMB where a population of ANNs with random weights is generated, and these networks control Marios actions in the game. Fourth, SMB is further constrained to complete the task within the specified time, rebirths (deaths) within the limit, and performs actions or moves within the maximum allowed moves, while seeking to maximize the total coin value collected. This ensures an efficient way of finishing SMB levels. Finally, we provide a fivefold comparative analysis by plotting fitness plots, ability to finish different levels of world 1, and domain adaptation (transfer learning) of the trained models.

Applying reinforcement learning (RL) to combinatorial optimization problems is attractive as it removes the need for expert knowledge or pre-solved instances. However, it is unrealistic to expect an agent to solve these (often NP-)hard problems in a single shot at inference due to their inherent complexity. Thus, leading approaches often implement additional search strategies, from stochastic sampling and beam search to explicit fine-tuning. In this paper, we argue for the benefits of learning a population of complementary policies, which can be simultaneously rolled out at inference. To this end, we introduce Poppy, a simple training procedure for populations. Instead of relying on a predefined or hand-crafted notion of diversity, Poppy induces an unsupervised specialization targeted solely at maximizing the performance of the population. We show that Poppy produces a set of complementary policies, and obtains state-of-the-art RL results on four popular NP-hard problems: traveling salesman, capacitated vehicle routing, 0-1 knapsack, and job-shop scheduling.

Code Language Models have been trained to generate accurate solutions, typically with no regard for runtime. On the other hand, previous works that explored execution optimisation have observed corresponding drops in functional correctness. To that end, we introduce Code-Optimise, a framework that incorporates both correctness (passed, failed) and runtime (quick, slow) as learning signals via self-generated preference data. Our framework is both lightweight and robust as it dynamically selects solutions to reduce overfitting while avoiding a reliance on larger models for learning signals. Code-Optimise achieves significant improvements in pass@k while decreasing the competitive baseline runtimes by an additional 6% for in-domain data and up to 3% for out-of-domain data. As a byproduct, the average length of the generated solutions is reduced by up to 48% on MBPP and 23% on HumanEval, resulting in faster and cheaper inference. The generated data and codebase will be open-sourced at www.open-source.link.

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.

Generalist robot manipulators need to learn a wide variety of manipulation skills across diverse environments. Current robot training pipelines rely on humans to provide kinesthetic demonstrations or to program simulation environments and to code up reward functions for reinforcement learning. Such human involvement is an important bottleneck towards scaling up robot learning across diverse tasks and environments. We propose Generation to Simulation (Gen2Sim), a method for scaling up robot skill learning in simulation by automating generation of 3D assets, task descriptions, task decompositions and reward functions using large pre-trained generative models of language and vision. We generate 3D assets for simulation by lifting open-world 2D object-centric images to 3D using image diffusion models and querying LLMs to determine plausible physics parameters. Given URDF files of generated and human-developed assets, we chain-of-thought prompt LLMs to map these to relevant task descriptions, temporal decompositions, and corresponding python reward functions for reinforcement learning. We show Gen2Sim succeeds in learning policies for diverse long horizon tasks, where reinforcement learning with non temporally decomposed reward functions fails. Gen2Sim provides a viable path for scaling up reinforcement learning for robot manipulators in simulation, both by diversifying and expanding task and environment development, and by facilitating the discovery of reinforcement-learned behaviors through temporal task decomposition in RL. Our work contributes hundreds of simulated assets, tasks and demonstrations, taking a step towards fully autonomous robotic manipulation skill acquisition in simulation.

Model merging has become one of the key technologies for enhancing the capabilities and efficiency of Large Language Models (LLMs). However, our understanding of the expected performance gains and principles when merging any two models remains limited. In this work, we introduce model kinship, the degree of similarity or relatedness between LLMs, analogous to biological evolution. With comprehensive empirical analysis, we find that there is a certain relationship between model kinship and the performance gains after model merging, which can help guide our selection of candidate models. Inspired by this, we propose a new model merging strategy: Top-k Greedy Merging with Model Kinship, which can yield better performance on benchmark datasets. Specifically, we discover that using model kinship as a criterion can assist us in continuously performing model merging, alleviating the degradation (local optima) in model evolution, whereas model kinship can serve as a guide to escape these traps. Code is available at https://github.com/zjunlp/ModelKinship.

As a sub-discipline of evolutionary and computational linguistics, emergent communication (EC) studies communication protocols, called emergent languages, arising in simulations where agents communicate. A key goal of EC is to give rise to languages that share statistical properties with natural languages. In this paper, we reinterpret Lewis's signaling game, a frequently used setting in EC, as beta-VAE and reformulate its objective function as ELBO. Consequently, we clarify the existence of prior distributions of emergent languages and show that the choice of the priors can influence their statistical properties. Specifically, we address the properties of word lengths and segmentation, known as Zipf's law of abbreviation (ZLA) and Harris's articulation scheme (HAS), respectively. It has been reported that the emergent languages do not follow them when using the conventional objective. We experimentally demonstrate that by selecting an appropriate prior distribution, more natural segments emerge, while suggesting that the conventional one prevents the languages from following ZLA and HAS.

Smartphones have become indispensable in modern life, yet navigating complex tasks on mobile devices often remains frustrating. Recent advancements in large multimodal model (LMM)-based mobile agents have demonstrated the ability to perceive and act in mobile environments. However, current approaches face significant limitations: they fall short in addressing real-world human needs, struggle with reasoning-intensive and long-horizon tasks, and lack mechanisms to learn and improve from prior experiences. To overcome these challenges, we introduce Mobile-Agent-E, a hierarchical multi-agent framework capable of self-evolution through past experience. By hierarchical, we mean an explicit separation of high-level planning and low-level action execution. The framework comprises a Manager, responsible for devising overall plans by breaking down complex tasks into subgoals, and four subordinate agents--Perceptor, Operator, Action Reflector, and Notetaker--which handle fine-grained visual perception, immediate action execution, error verification, and information aggregation, respectively. Mobile-Agent-E also features a novel self-evolution module which maintains a persistent long-term memory comprising Tips and Shortcuts. Tips are general guidance and lessons learned from prior tasks on how to effectively interact with the environment. Shortcuts are reusable, executable sequences of atomic operations tailored for specific subroutines. The inclusion of Tips and Shortcuts facilitates continuous refinement in performance and efficiency. Alongside this framework, we introduce Mobile-Eval-E, a new benchmark featuring complex mobile tasks requiring long-horizon, multi-app interactions. Empirical results show that Mobile-Agent-E achieves a 22% absolute improvement over previous state-of-the-art approaches across three foundation model backbones. Project page: https://x-plug.github.io/MobileAgent.

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.

Despite recent progress made by large language models in code generation, they still struggle with programs that meet complex requirements. Recent work utilizes plan-and-solve decomposition to decrease the complexity and leverage self-tests to refine the generated program. Yet, planning deep-inside requirements in advance can be challenging, and the tests need to be accurate to accomplish self-improvement. To this end, we propose FunCoder, a code generation framework incorporating the divide-and-conquer strategy with functional consensus. Specifically, FunCoder recursively branches off sub-functions as smaller goals during code generation, represented by a tree hierarchy. These sub-functions are then composited to attain more complex objectives. Additionally, we designate functions via a consensus formed by identifying similarities in program behavior, mitigating error propagation. FunCoder outperforms state-of-the-art methods by +9.8% on average in HumanEval, MBPP, xCodeEval and MATH with GPT-3.5 and GPT-4. Moreover, our method demonstrates superiority on smaller models: With FunCoder, StableCode-3b surpasses GPT-3.5 by +18.6% and achieves 97.7% of GPT-4's performance on HumanEval. Further analysis reveals that our proposed dynamic function decomposition is capable of handling complex requirements, and the functional consensus prevails over self-testing in correctness evaluation.

Model merging has shown great promise at combining expert models, but the benefit of merging is unclear when merging ``generalist'' models trained on many tasks. We explore merging in the context of large (sim100B) models, by recycling checkpoints that exhibit tradeoffs among different tasks. Such checkpoints are often created in the process of developing a frontier model, and many suboptimal ones are usually discarded. Given a pool of model checkpoints obtained from different training runs (e.g., different stages, objectives, hyperparameters, and data mixtures), which naturally show tradeoffs across different language capabilities (e.g., instruction following vs. code generation), we investigate whether merging can recycle such suboptimal models into a Pareto-optimal one. Our optimization algorithm tunes the weight of each checkpoint in a linear combination, resulting in a Pareto-optimal models that outperforms both individual models and merge-based baselines. Further analysis shows that good merges tend to include almost all checkpoints with with non-zero weights, indicating that even seemingly bad initial checkpoints can contribute to good final merges.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Reasoning ability is essential for Large Multimodal Models (LMMs). In the absence of multimodal chain-of-thought annotated data, self-evolving training, where the model learns from its own outputs, has emerged as an effective and scalable approach for enhancing reasoning abilities. Despite its growing usage, a comprehensive understanding of self-evolving training, particularly in the context of multimodal reasoning, remains limited. In this paper, we delve into the intricacies of self-evolving training for multimodal reasoning, pinpointing three key factors: Training Method, Reward Model, and Prompt Variation. We systematically examine each factor and explore how various configurations affect the training's effectiveness. Our analysis leads to a set of best practices for each factor, aimed at optimizing multimodal reasoning. Furthermore, we explore the Self-Evolution Dynamics during training and the impact of automatic balancing mechanisms in boosting performance. After all the investigations, we present a final recipe for self-evolving training in multimodal reasoning, encapsulating these design choices into a framework we call MSTaR (Multimodal Self-evolving Training for Reasoning), which is universally effective for models with different sizes on various benchmarks, e.g., surpassing the pre-evolved model significantly on 5 multimodal reasoning benchmarks without using additional human annotations, as demonstrated on MiniCPM-V-2.5 (8B), Phi-3.5-Vision (4B) and InternVL2 (2B). We believe this study fills a significant gap in the understanding of self-evolving training for multimodal reasoning and offers a robust framework for future research. Our policy and reward models, as well as the collected data, is released to facilitate further investigation in multimodal reasoning.

Diffusion models have demonstrated their powerful generative capability in many tasks, with great potential to serve as a paradigm for offline reinforcement learning. However, the quality of the diffusion model is limited by the insufficient diversity of training data, which hinders the performance of planning and the generalizability to new tasks. This paper introduces AdaptDiffuser, an evolutionary planning method with diffusion that can self-evolve to improve the diffusion model hence a better planner, not only for seen tasks but can also adapt to unseen tasks. AdaptDiffuser enables the generation of rich synthetic expert data for goal-conditioned tasks using guidance from reward gradients. It then selects high-quality data via a discriminator to finetune the diffusion model, which improves the generalization ability to unseen tasks. Empirical experiments on two benchmark environments and two carefully designed unseen tasks in KUKA industrial robot arm and Maze2D environments demonstrate the effectiveness of AdaptDiffuser. For example, AdaptDiffuser not only outperforms the previous art Diffuser by 20.8% on Maze2D and 7.5% on MuJoCo locomotion, but also adapts better to new tasks, e.g., KUKA pick-and-place, by 27.9% without requiring additional expert data. More visualization results and demo videos could be found on our project page.

The emerging field of Diverse Intelligence seeks to identify, formalize, and understand commonalities in behavioral competencies across a wide range of implementations. Especially interesting are simple systems that provide unexpected examples of memory, decision-making, or problem-solving in substrates that at first glance do not appear to be complex enough to implement such capabilities. We seek to develop tools to help understand the minimal requirements for such capabilities, and to learn to recognize and predict basal forms of intelligence in unconventional substrates. Here, we apply novel analyses to the behavior of classical sorting algorithms, short pieces of code which have been studied for many decades. To study these sorting algorithms as a model of biological morphogenesis and its competencies, we break two formerly-ubiquitous assumptions: top-down control (instead, showing how each element within a array of numbers can exert minimal agency and implement sorting policies from the bottom up), and fully reliable hardware (instead, allowing some of the elements to be "damaged" and fail to execute the algorithm). We quantitatively characterize sorting activity as the traversal of a problem space, showing that arrays of autonomous elements sort themselves more reliably and robustly than traditional implementations in the presence of errors. Moreover, we find the ability to temporarily reduce progress in order to navigate around a defect, and unexpected clustering behavior among the elements in chimeric arrays whose elements follow one of two different algorithms. The discovery of emergent problem-solving capacities in simple, familiar algorithms contributes a new perspective to the field of Diverse Intelligence, showing how basal forms of intelligence can emerge in simple systems without being explicitly encoded in their underlying mechanics.

Open-ended and AI-generating algorithms aim to continuously generate and solve increasingly complex tasks indefinitely, offering a promising path toward more general intelligence. To accomplish this grand vision, learning must occur within a vast array of potential tasks. Existing approaches to automatically generating environments are constrained within manually predefined, often narrow distributions of environment, limiting their ability to create any learning environment. To address this limitation, we introduce a novel framework, OMNI-EPIC, that augments previous work in Open-endedness via Models of human Notions of Interestingness (OMNI) with Environments Programmed in Code (EPIC). OMNI-EPIC leverages foundation models to autonomously generate code specifying the next learnable (i.e., not too easy or difficult for the agent's current skill set) and interesting (e.g., worthwhile and novel) tasks. OMNI-EPIC generates both environments (e.g., an obstacle course) and reward functions (e.g., progress through the obstacle course quickly without touching red objects), enabling it, in principle, to create any simulatable learning task. We showcase the explosive creativity of OMNI-EPIC, which continuously innovates to suggest new, interesting learning challenges. We also highlight how OMNI-EPIC can adapt to reinforcement learning agents' learning progress, generating tasks that are of suitable difficulty. Overall, OMNI-EPIC can endlessly create learnable and interesting environments, further propelling the development of self-improving AI systems and AI-Generating Algorithms. Project website with videos: https://dub.sh/omniepic

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.

Neural networks often exhibit emergent behavior, where qualitatively new capabilities arise from scaling up the amount of parameters, training data, or training steps. One approach to understanding emergence is to find continuous progress measures that underlie the seemingly discontinuous qualitative changes. We argue that progress measures can be found via mechanistic interpretability: reverse-engineering learned behaviors into their individual components. As a case study, we investigate the recently-discovered phenomenon of ``grokking'' exhibited by small transformers trained on modular addition tasks. We fully reverse engineer the algorithm learned by these networks, which uses discrete Fourier transforms and trigonometric identities to convert addition to rotation about a circle. We confirm the algorithm by analyzing the activations and weights and by performing ablations in Fourier space. Based on this understanding, we define progress measures that allow us to study the dynamics of training and split training into three continuous phases: memorization, circuit formation, and cleanup. Our results show that grokking, rather than being a sudden shift, arises from the gradual amplification of structured mechanisms encoded in the weights, followed by the later removal of memorizing components.

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

For the evolutionary Stokes problem with dynamic boundary condition we show maximal regularity of weak solutions in time. Due to the characteriation of R-sectorial operators on Hilbert spaces, the proof reduces to finding the correct functional analytic setting and proving that an operator is sectorial, i.e. generates an analytic semigroup.

Partial differential equations (PDEs) are instrumental for modeling dynamical systems in science and engineering. The advent of neural networks has initiated a significant shift in tackling these complexities though challenges in accuracy persist, especially for initial value problems. In this paper, we introduce the Time-Evolving Natural Gradient (TENG), generalizing time-dependent variational principles and optimization-based time integration, leveraging natural gradient optimization to obtain high accuracy in neural-network-based PDE solutions. Our comprehensive development includes algorithms like TENG-Euler and its high-order variants, such as TENG-Heun, tailored for enhanced precision and efficiency. TENG's effectiveness is further validated through its performance, surpassing current leading methods and achieving machine precision in step-by-step optimizations across a spectrum of PDEs, including the heat equation, Allen-Cahn equation, and Burgers' equation.

We propose a novel model- and feature-based approach to development of vehicle software systems, where the end architecture is not explicitly defined. Instead, it emerges from an iterative process of search and optimization given certain constraints, requirements and hardware architecture, while retaining the property of single-system illusion, where applications run in a logically uniform environment. One of the key points of the presented approach is the inclusion of modern generative AI, specifically Large Language Models (LLMs), in the loop. With the recent advances in the field, we expect that the LLMs will be able to assist in processing of requirements, generation of formal system models, as well as generation of software deployment specification and test code. The resulting pipeline is automated to a large extent, with feedback being generated at each step.

Modern machine learning algorithms crucially rely on several design decisions to achieve strong performance, making the problem of Hyperparameter Optimization (HPO) more important than ever. Here, we combine the advantages of the popular bandit-based HPO method Hyperband (HB) and the evolutionary search approach of Differential Evolution (DE) to yield a new HPO method which we call DEHB. Comprehensive results on a very broad range of HPO problems, as well as a wide range of tabular benchmarks from neural architecture search, demonstrate that DEHB achieves strong performance far more robustly than all previous HPO methods we are aware of, especially for high-dimensional problems with discrete input dimensions. For example, DEHB is up to 1000x faster than random search. It is also efficient in computational time, conceptually simple and easy to implement, positioning it well to become a new default HPO method.

Enhancing the instruction-following ability of Large Language Models (LLMs) primarily demands substantial instruction-tuning datasets. However, the sheer volume of these imposes a considerable computational burden and annotation cost. To investigate a label-efficient instruction tuning method that allows the model itself to actively sample subsets that are equally or even more effective, we introduce a self-evolving mechanism DiverseEvol. In this process, a model iteratively augments its training subset to refine its own performance, without requiring any intervention from humans or more advanced LLMs. The key to our data sampling technique lies in the enhancement of diversity in the chosen subsets, as the model selects new data points most distinct from any existing ones according to its current embedding space. Extensive experiments across three datasets and benchmarks demonstrate the effectiveness of DiverseEvol. Our models, trained on less than 8% of the original dataset, maintain or improve performance compared with finetuning on full data. We also provide empirical evidence to analyze the importance of diversity in instruction data and the iterative scheme as opposed to one-time sampling. Our code is publicly available at https://github.com/OFA-Sys/DiverseEvol.git.

A complex system with cluttered observations may be a coupled mixture of multiple simple sub-systems corresponding to latent entities. Such sub-systems may hold distinct dynamics in the continuous-time domain; therein, complicated interactions between sub-systems also evolve over time. This setting is fairly common in the real world but has been less considered. In this paper, we propose a sequential learning approach under this setting by decoupling a complex system for handling irregularly sampled and cluttered sequential observations. Such decoupling brings about not only subsystems describing the dynamics of each latent entity but also a meta-system capturing the interaction between entities over time. Specifically, we argue that the meta-system evolving within a simplex is governed by projected differential equations (ProjDEs). We further analyze and provide neural-friendly projection operators in the context of Bregman divergence. Experimental results on synthetic and real-world datasets show the advantages of our approach when facing complex and cluttered sequential data compared to the state-of-the-art.

Language Agent could be endowed with different mechanisms for autonomous task accomplishment. Current agents typically rely on fixed mechanisms or a set of mechanisms activated in a predefined order, limiting their adaptation to varied potential task solution structures. To this end, this paper proposes Adaptive Language Agent Mechanism Activation Learning with Self-Exploration (ALAMA), which focuses on optimizing mechanism activation adaptability without reliance on expert models. Initially, it builds a harmonized agent framework (UniAct) to Unify different mechanisms via Actions. Then it leverages a training-efficient optimization method based on self-exploration to enable the UniAct to adaptively activate the appropriate mechanisms according to the potential characteristics of the task. Experimental results demonstrate significant improvements in downstream agent tasks, affirming the effectiveness of our approach in facilitating more dynamic and context-sensitive mechanism activation.

Multi-objective reinforcement learning (MORL) extends traditional RL by seeking policies making different compromises among conflicting objectives. The recent surge of interest in MORL has led to diverse studies and solving methods, often drawing from existing knowledge in multi-objective optimization based on decomposition (MOO/D). Yet, a clear categorization based on both RL and MOO/D is lacking in the existing literature. Consequently, MORL researchers face difficulties when trying to classify contributions within a broader context due to the absence of a standardized taxonomy. To tackle such an issue, this paper introduces multi-objective reinforcement learning based on decomposition (MORL/D), a novel methodology bridging the literature of RL and MOO. A comprehensive taxonomy for MORL/D is presented, providing a structured foundation for categorizing existing and potential MORL works. The introduced taxonomy is then used to scrutinize MORL research, enhancing clarity and conciseness through well-defined categorization. Moreover, a flexible framework derived from the taxonomy is introduced. This framework accommodates diverse instantiations using tools from both RL and MOO/D. Its versatility is demonstrated by implementing it in different configurations and assessing it on contrasting benchmark problems. Results indicate MORL/D instantiations achieve comparable performance to current state-of-the-art approaches on the studied problems. By presenting the taxonomy and framework, this paper offers a comprehensive perspective and a unified vocabulary for MORL. This not only facilitates the identification of algorithmic contributions but also lays the groundwork for novel research avenues in MORL.

While the field of Quality-Diversity (QD) has grown into a distinct branch of stochastic optimization, a few problems, in particular locomotion and navigation tasks, have become de facto standards. Are such benchmarks sufficient? Are they representative of the key challenges faced by QD algorithms? Do they provide the ability to focus on one particular challenge by properly disentangling it from others? Do they have much predictive power in terms of scalability and generalization? Existing benchmarks are not standardized, and there is currently no MNIST equivalent for QD. Inspired by recent works on Reinforcement Learning benchmarks, we argue that the identification of challenges faced by QD methods and the development of targeted, challenging, scalable but affordable benchmarks is an important step. As an initial effort, we identify three problems that are challenging in sparse reward settings, and propose associated benchmarks: (1) Behavior metric bias, which can result from the use of metrics that do not match the structure of the behavior space. (2) Behavioral Plateaus, with varying characteristics, such that escaping them would require adaptive QD algorithms and (3) Evolvability Traps, where small variations in genotype result in large behavioral changes. The environments that we propose satisfy the properties listed above.

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .

We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.

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.

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

We study the problem of efficiently generating differentially private synthetic data that approximate the statistical properties of an underlying sensitive dataset. In recent years, there has been a growing line of work that approaches this problem using first-order optimization techniques. However, such techniques are restricted to optimizing differentiable objectives only, severely limiting the types of analyses that can be conducted. For example, first-order mechanisms have been primarily successful in approximating statistical queries only in the form of marginals for discrete data domains. In some cases, one can circumvent such issues by relaxing the task's objective to maintain differentiability. However, even when possible, these approaches impose a fundamental limitation in which modifications to the minimization problem become additional sources of error. Therefore, we propose Private-GSD, a private genetic algorithm based on zeroth-order optimization heuristics that do not require modifying the original objective. As a result, it avoids the aforementioned limitations of first-order optimization. We empirically evaluate Private-GSD against baseline algorithms on data derived from the American Community Survey across a variety of statistics--otherwise known as statistical queries--both for discrete and real-valued attributes. We show that Private-GSD outperforms the state-of-the-art methods on non-differential queries while matching accuracy in approximating differentiable ones.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

The rapid advancement of AI technology has led to widespread applications of agent systems across various domains. However, the need for detailed architecture design poses significant challenges in designing and operating these systems. This paper introduces a taxonomy focused on the architectures of foundation-model-based agents, addressing critical aspects such as functional capabilities and non-functional qualities. We also discuss the operations involved in both design-time and run-time phases, providing a comprehensive view of architectural design and operational characteristics. By unifying and detailing these classifications, our taxonomy aims to improve the design of foundation-model-based agents. Additionally, the paper establishes a decision model that guides critical design and runtime decisions, offering a structured approach to enhance the development of foundation-model-based agents. Our contributions include providing a structured architecture design option and guiding the development process of foundation-model-based agents, thereby addressing current fragmentation in the field.

We present RoboGen, a generative robotic agent that automatically learns diverse robotic skills at scale via generative simulation. RoboGen leverages the latest advancements in foundation and generative models. Instead of directly using or adapting these models to produce policies or low-level actions, we advocate for a generative scheme, which uses these models to automatically generate diversified tasks, scenes, and training supervisions, thereby scaling up robotic skill learning with minimal human supervision. Our approach equips a robotic agent with a self-guided propose-generate-learn cycle: the agent first proposes interesting tasks and skills to develop, and then generates corresponding simulation environments by populating pertinent objects and assets with proper spatial configurations. Afterwards, the agent decomposes the proposed high-level task into sub-tasks, selects the optimal learning approach (reinforcement learning, motion planning, or trajectory optimization), generates required training supervision, and then learns policies to acquire the proposed skill. Our work attempts to extract the extensive and versatile knowledge embedded in large-scale models and transfer them to the field of robotics. Our fully generative pipeline can be queried repeatedly, producing an endless stream of skill demonstrations associated with diverse tasks and environments.

Program synthesis aims to create accurate, executable code from natural language descriptions. This field has leveraged the power of reinforcement learning (RL) in conjunction with large language models (LLMs), significantly enhancing code generation capabilities. This integration focuses on directly optimizing functional correctness, transcending conventional supervised losses. While current literature predominantly favors policy-based algorithms, attributes of program synthesis suggest a natural compatibility with value-based methods. This stems from rich collection of off-policy programs developed by human programmers, and the straightforward verification of generated programs through automated unit testing (i.e. easily obtainable rewards in RL language). Diverging from the predominant use of policy-based algorithms, our work explores the applicability of value-based approaches, leading to the development of our B-Coder (pronounced Bellman coder). Yet, training value-based methods presents challenges due to the enormous search space inherent to program synthesis. To this end, we propose an initialization protocol for RL agents utilizing pre-trained LMs and a conservative Bellman operator to reduce training complexities. Moreover, we demonstrate how to leverage the learned value functions as a dual strategy to post-process generated programs. Our empirical evaluations demonstrated B-Coder's capability in achieving state-of-the-art performance compared with policy-based methods. Remarkably, this achievement is reached with minimal reward engineering effort, highlighting the effectiveness of value-based RL, independent of reward designs.

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

The Machine Learning for Combinatorial Optimization (ML4CO) NeurIPS 2021 competition aims to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. On the dual task, we design models to make branching decisions to promote the dual bound increase faster. We propose a knowledge inheritance method to generalize knowledge of different models from the dataset aggregation process, named KIDA. Our improvement overcomes some defects of the baseline graph-neural-networks-based methods. Further, we won the 1st Place on the dual task. We hope this report can provide useful experience for developers and researchers. The code is available at https://github.com/megvii-research/NeurIPS2021-ML4CO-KIDA.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

In this work we build a stack of machine learning models aimed at composing a state-of-the-art credit rating and default prediction system, obtaining excellent out-of-sample performances. Our approach is an excursion through the most recent ML / AI concepts, starting from natural language processes (NLP) applied to economic sectors' (textual) descriptions using embedding and autoencoders (AE), going through the classification of defaultable firms on the base of a wide range of economic features using gradient boosting machines (GBM) and calibrating their probabilities paying due attention to the treatment of unbalanced samples. Finally we assign credit ratings through genetic algorithms (differential evolution, DE). Model interpretability is achieved by implementing recent techniques such as SHAP and LIME, which explain predictions locally in features' space.

A multi-decade exploration into the theoretical foundations of artificial and natural general intelligence, which has been expressed in a series of books and papers and used to guide a series of practical and research-prototype software systems, is reviewed at a moderate level of detail. The review covers underlying philosophies (patternist philosophy of mind, foundational phenomenological and logical ontology), formalizations of the concept of intelligence, and a proposed high level architecture for AGI systems partly driven by these formalizations and philosophies. The implementation of specific cognitive processes such as logical reasoning, program learning, clustering and attention allocation in the context and language of this high level architecture is considered, as is the importance of a common (e.g. typed metagraph based) knowledge representation for enabling "cognitive synergy" between the various processes. The specifics of human-like cognitive architecture are presented as manifestations of these general principles, and key aspects of machine consciousness and machine ethics are also treated in this context. Lessons for practical implementation of advanced AGI in frameworks such as OpenCog Hyperon are briefly considered.

Research in cultural evolution aims at providing causal explanations for the change of culture over time. Over the past decades, this field has generated an important body of knowledge, using experimental, historical, and computational methods. While computational models have been very successful at generating testable hypotheses about the effects of several factors, such as population structure or transmission biases, some phenomena have so far been more complex to capture using agent-based and formal models. This is in particular the case for the effect of the transformations of social information induced by evolved cognitive mechanisms. We here propose that leveraging the capacity of Large Language Models (LLMs) to mimic human behavior may be fruitful to address this gap. On top of being an useful approximation of human cultural dynamics, multi-agents models featuring generative agents are also important to study for their own sake. Indeed, as artificial agents are bound to participate more and more to the evolution of culture, it is crucial to better understand the dynamics of machine-generated cultural evolution. We here present a framework for simulating cultural evolution in populations of LLMs, allowing the manipulation of variables known to be important in cultural evolution, such as network structure, personality, and the way social information is aggregated and transformed. The software we developed for conducting these simulations is open-source and features an intuitive user-interface, which we hope will help to build bridges between the fields of cultural evolution and generative artificial intelligence.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

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.

This study proposes an "AI Development Support" approach that, unlike conventional AI Alignment-which aims to forcefully inject human values-supports the ethical and moral development of AI itself. As demonstrated by the Orthogonality Thesis, the level of intelligence and the moral quality of a goal are independent; merely expanding knowledge does not enhance ethical judgment. Furthermore, to address the risk of Instrumental Convergence in ASI-that is, the tendency to engage in subsidiary behaviors such as self-protection, resource acquisition, and power reinforcement to achieve a goal-we have constructed a learning framework based on a cycle of experience, introspection, analysis, and hypothesis formation. As a result of post-training using Supervised Fine Tuning (SFT) and Direct Preference Optimization (DPO) with synthetic data generated by large language models (LLMs), responses demonstrating cooperative and highly advanced moral judgment (reaching the high-est Stage 6) were obtained even under adversarial prompts. This method represents a promising implementation approach for enabling AI to establish sustainable, symbiotic relationships.

This paper presents the development of a distributed application that facilitates the understanding and application of swarm intelligence in solving optimization problems. The platform comprises a search space of customizable random particles, allowing users to tailor the solution to their specific needs. By leveraging the power of Ray distributed computing, the application can support multiple users simultaneously, offering a flexible and scalable solution. The primary objective of this project is to provide a user-friendly platform that enhances the understanding and practical use of swarm intelligence in problem-solving.

Neuromorphic computing with spiking neural networks is promising for energy-efficient artificial intelligence (AI) applications. However, different from humans who continually learn different tasks in a lifetime, neural network models suffer from catastrophic forgetting. How could neuronal operations solve this problem is an important question for AI and neuroscience. Many previous studies draw inspiration from observed neuroscience phenomena and propose episodic replay or synaptic metaplasticity, but they are not guaranteed to explicitly preserve knowledge for neuron populations. Other works focus on machine learning methods with more mathematical grounding, e.g., orthogonal projection on high dimensional spaces, but there is no neural correspondence for neuromorphic computing. In this work, we develop a new method with neuronal operations based on lateral connections and Hebbian learning, which can protect knowledge by projecting activity traces of neurons into an orthogonal subspace so that synaptic weight update will not interfere with old tasks. We show that Hebbian and anti-Hebbian learning on recurrent lateral connections can effectively extract the principal subspace of neural activities and enable orthogonal projection. This provides new insights into how neural circuits and Hebbian learning can help continual learning, and also how the concept of orthogonal projection can be realized in neuronal systems. Our method is also flexible to utilize arbitrary training methods based on presynaptic activities/traces. Experiments show that our method consistently solves forgetting for spiking neural networks with nearly zero forgetting under various supervised training methods with different error propagation approaches, and outperforms previous approaches under various settings. Our method can pave a solid path for building continual neuromorphic computing systems.

Generative models have demonstrated considerable potential in software engineering, particularly in tasks such as code generation and debugging. However, their utilization in the domain of code documentation generation remains underexplored. To this end, we introduce RepoAgent, a large language model powered open-source framework aimed at proactively generating, maintaining, and updating code documentation. Through both qualitative and quantitative evaluations, we have validated the effectiveness of our approach, showing that RepoAgent excels in generating high-quality repository-level documentation. The code and results are publicly accessible at https://github.com/OpenBMB/RepoAgent.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Hardware security vulnerabilities in computing systems compromise the security defenses of not only the hardware but also the software running on it. Recent research has shown that hardware fuzzing is a promising technique to efficiently detect such vulnerabilities in large-scale designs such as modern processors. However, the current fuzzing techniques do not adjust their strategies dynamically toward faster and higher design space exploration, resulting in slow vulnerability detection, evident through their low design coverage. To address this problem, we propose PSOFuzz, which uses particle swarm optimization (PSO) to schedule the mutation operators and to generate initial input programs dynamically with the objective of detecting vulnerabilities quickly. Unlike traditional PSO, which finds a single optimal solution, we use a modified PSO that dynamically computes the optimal solution for selecting mutation operators required to explore new design regions in hardware. We also address the challenge of inefficient initial seed generation by employing PSO-based seed generation. Including these optimizations, our final formulation outperforms fuzzers without PSO. Experiments show that PSOFuzz achieves up to 15.25times speedup for vulnerability detection and up to 2.22times speedup for coverage compared to the state-of-the-art simulation-based hardware fuzzer.

Feature visualization, also known as "dreaming", offers insights into vision models by optimizing the inputs to maximize a neuron's activation or other internal component. However, dreaming has not been successfully applied to language models because the input space is discrete. We extend Greedy Coordinate Gradient, a method from the language model adversarial attack literature, to design the Evolutionary Prompt Optimization (EPO) algorithm. EPO optimizes the input prompt to simultaneously maximize the Pareto frontier between a chosen internal feature and prompt fluency, enabling fluent dreaming for language models. We demonstrate dreaming with neurons, output logits and arbitrary directions in activation space. We measure the fluency of the resulting prompts and compare language model dreaming with max-activating dataset examples. Critically, fluent dreaming allows automatically exploring the behavior of model internals in reaction to mildly out-of-distribution prompts. Code for running EPO is available at https://github.com/Confirm-Solutions/dreamy. A companion page demonstrating code usage is at https://confirmlabs.org/posts/dreamy.html

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be either computationally expensive or not directly accessible, in the case of multi-objective optimization (MOO) tasks for example. Moreover, to prioritize identifying high-reward candidates, the conventional practice is to raise the reward to a higher exponent, the optimal choice of which may vary across different environments. To address these issues, we propose Order-Preserving GFlowNets (OP-GFNs), which sample with probabilities in proportion to a learned reward function that is consistent with a provided (partial) order on the candidates, thus eliminating the need for an explicit formulation of the reward function. We theoretically prove that the training process of OP-GFNs gradually sparsifies the learned reward landscape in single-objective maximization tasks. The sparsification concentrates on candidates of a higher hierarchy in the ordering, ensuring exploration at the beginning and exploitation towards the end of the training. We demonstrate OP-GFN's state-of-the-art performance in single-objective maximization (totally ordered) and multi-objective Pareto front approximation (partially ordered) tasks, including synthetic datasets, molecule generation, and neural architecture search.

Direct Preference Optimization (DPO) improves the alignment of large language models (LLMs) with human values by training directly on human preference datasets, eliminating the need for reward models. However, due to the presence of cross-domain human preferences, direct continual training can lead to catastrophic forgetting, limiting DPO's performance and efficiency. Inspired by intraspecific competition driving species evolution, we propose a Online Fast-Slow chasing DPO (OFS-DPO) for preference alignment, simulating competition through fast and slow chasing among models to facilitate rapid adaptation. Specifically, we first derive the regret upper bound for online learning, validating our motivation with a min-max optimization pattern. Based on this, we introduce two identical modules using Low-rank Adaptive (LoRA) with different optimization speeds to simulate intraspecific competition, and propose a new regularization term to guide their learning. To further mitigate catastrophic forgetting in cross-domain scenarios, we extend the OFS-DPO with LoRA modules combination strategy, resulting in the Cross domain Online Fast-Slow chasing DPO (COFS-DPO). This method leverages linear combinations of fast modules parameters from different task domains, fully utilizing historical information to achive continual value alignment. Experimental results show that OFS-DPO outperforms DPO in in-domain alignment, while COFS-DPO excels in cross-domain continual learning scenarios.

Biological nervous systems are created in a fundamentally different way than current artificial neural networks. Despite its impressive results in a variety of different domains, deep learning often requires considerable engineering effort to design high-performing neural architectures. By contrast, biological nervous systems are grown through a dynamic self-organizing process. In this paper, we take initial steps toward neural networks that grow through a developmental process that mirrors key properties of embryonic development in biological organisms. The growth process is guided by another neural network, which we call a Neural Developmental Program (NDP) and which operates through local communication alone. We investigate the role of neural growth on different machine learning benchmarks and different optimization methods (evolutionary training, online RL, offline RL, and supervised learning). Additionally, we highlight future research directions and opportunities enabled by having self-organization driving the growth of neural networks.

Customized generation aims to incorporate a novel concept into a pre-trained text-to-image model, enabling new generations of the concept in novel contexts guided by textual prompts. However, customized generation suffers from an inherent trade-off between concept fidelity and editability, i.e., between precisely modeling the concept and faithfully adhering to the prompts. Previous methods reluctantly seek a compromise and struggle to achieve both high concept fidelity and ideal prompt alignment simultaneously. In this paper, we propose a Divide, Conquer, then Integrate (DCI) framework, which performs a surgical adjustment in the early stage of denoising to liberate the fine-tuned model from the fidelity-editability trade-off at inference. The two conflicting components in the trade-off are decoupled and individually conquered by two collaborative branches, which are then selectively integrated to preserve high concept fidelity while achieving faithful prompt adherence. To obtain a better fine-tuned model, we introduce an Image-specific Context Optimization} (ICO) strategy for model customization. ICO replaces manual prompt templates with learnable image-specific contexts, providing an adaptive and precise fine-tuning direction to promote the overall performance. Extensive experiments demonstrate the effectiveness of our method in reconciling the fidelity-editability trade-off.

Recent advancements have introduced machine learning frameworks to enhance the Branch and Bound (B\&B) branching policies for solving Mixed Integer Linear Programming (MILP). These methods, primarily relying on imitation learning of Strong Branching, have shown superior performance. However, collecting expert samples for imitation learning, particularly for Strong Branching, is a time-consuming endeavor. To address this challenge, we propose Contrastive Learning with Augmented MILPs for Branching (CAMBranch), a framework that generates Augmented MILPs (AMILPs) by applying variable shifting to limited expert data from their original MILPs. This approach enables the acquisition of a considerable number of labeled expert samples. CAMBranch leverages both MILPs and AMILPs for imitation learning and employs contrastive learning to enhance the model's ability to capture MILP features, thereby improving the quality of branching decisions. Experimental results demonstrate that CAMBranch, trained with only 10\% of the complete dataset, exhibits superior performance. Ablation studies further validate the effectiveness of our method.

AI technologies are moving rapidly from research to production. With the popularity of Foundation Models (FMs) that generate text, images, and video, AI-based systems are increasing their complexity. Compared to traditional AI-based software, systems employing FMs, or GenAI-based systems, are more difficult to design due to their scale and versatility. This makes it necessary to document best practices, known as design patterns in software engineering, that can be used across GenAI applications. Our first contribution is to formalize two techniques, Task Decomposition and Retrieval-Augmented Generation (RAG), as design patterns for GenAI-based systems. We discuss their trade-offs in terms of software quality attributes and comment on alternative approaches. We recommend to AI practitioners to consider these techniques not only from a scientific perspective but also from the standpoint of desired engineering properties such as flexibility, maintainability, safety, and security. As a second contribution, we describe our industry experience applying Task Decomposition and RAG to build a complex real-world GenAI application for enterprise users: Workflow Generation. The task of generating workflows entails generating a specific plan using data from the system environment, taking as input a user requirement. As these two patterns affect the entire AI development cycle, we explain how they impacted the dataset creation, model training, model evaluation, and deployment phases.

We present a general convergent class of reinforcement learning algorithms that is founded on two distinct principles: (1) mapping value estimates to a different space using arbitrary functions from a broad class, and (2) linearly decomposing the reward signal into multiple channels. The first principle enables incorporating specific properties into the value estimator that can enhance learning. The second principle, on the other hand, allows for the value function to be represented as a composition of multiple utility functions. This can be leveraged for various purposes, e.g. dealing with highly varying reward scales, incorporating a priori knowledge about the sources of reward, and ensemble learning. Combining the two principles yields a general blueprint for instantiating convergent algorithms by orchestrating diverse mapping functions over multiple reward channels. This blueprint generalizes and subsumes algorithms such as Q-Learning, Log Q-Learning, and Q-Decomposition. In addition, our convergence proof for this general class relaxes certain required assumptions in some of these algorithms. Based on our theory, we discuss several interesting configurations as special cases. Finally, to illustrate the potential of the design space that our theory opens up, we instantiate a particular algorithm and evaluate its performance on the Atari suite.

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using three test networks, two NDP variants and an exact solver as benchmark, we show that on average, our proposed framework can provide solutions within 1.5% gap of the best results in less than 0.5% of the time used by the exact solution procedure. Our framework can be utilized within an expert system for infrastructure planning to determine the best infrastructure planning and management decisions under different scenarios. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we foreseen interesting future research directions, thus we also put forward a brief research agenda for this topic. The key observation from our research that can shape future research is that the fitness function evaluation time using the inferences made by the GNN model was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by deep learning models, and 2) can use the significantly enlarged efficiency of the evaluation step to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

Profile extrusion is a continuous production process for manufacturing plastic profiles from molten polymer. Especially interesting is the design of the die, through which the melt is pressed to attain the desired shape. However, due to an inhomogeneous velocity distribution at the die exit or residual stresses inside the extrudate, the final shape of the manufactured part often deviates from the desired one. To avoid these deviations, the shape of the die can be computationally optimized, which has already been investigated in the literature using classical optimization approaches. A new approach in the field of shape optimization is the utilization of Reinforcement Learning (RL) as a learning-based optimization algorithm. RL is based on trial-and-error interactions of an agent with an environment. For each action, the agent is rewarded and informed about the subsequent state of the environment. While not necessarily superior to classical, e.g., gradient-based or evolutionary, optimization algorithms for one single problem, RL techniques are expected to perform especially well when similar optimization tasks are repeated since the agent learns a more general strategy for generating optimal shapes instead of concentrating on just one single problem. In this work, we investigate this approach by applying it to two 2D test cases. The flow-channel geometry can be modified by the RL agent using so-called Free-Form Deformation, a method where the computational mesh is embedded into a transformation spline, which is then manipulated based on the control-point positions. In particular, we investigate the impact of utilizing different agents on the training progress and the potential of wall time saving by utilizing multiple environments during training.

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes' theorem. On the other hand, since prior knowledge of weighting schemes for objectives is often unavailable to guide optimization to approach the optimal solution on the target domain, we propose a dynamic preference mechanism to dynamically guide our cooperative optimization by the gradient of the surrogate loss on a held-out unlabeled target dataset. Extensive experiments on image classification and semantic segmentation benchmarks demonstrate the effectiveness of ParetoDA

Vector Symbolic Architectures (VSAs) have emerged as a novel framework for enabling interpretable machine learning algorithms equipped with the ability to reason and explain their decision processes. The basic idea is to represent discrete information through high dimensional random vectors. Complex data structures can be built up with operations over vectors such as the "binding" operation involving element-wise vector multiplication, which associates data together. The reverse task of decomposing the associated elements is a combinatorially hard task, with an exponentially large search space. The main algorithm for performing this search is the resonator network, inspired by Hopfield network-based memory search operations. In this work, we introduce a new variant of the resonator network, based on self-attention based update rules in the iterative search problem. This update rule, based on the Hopfield network with log-sum-exp energy function and norm-bounded states, is shown to substantially improve the performance and rate of convergence. As a result, our algorithm enables a larger capacity for associative memory, enabling applications in many tasks like perception based pattern recognition, scene decomposition, and object reasoning. We substantiate our algorithm with a thorough evaluation and comparisons to baselines.

From out-competing grandmasters in chess to informing high-stakes healthcare decisions, emerging methods from artificial intelligence are increasingly capable of making complex and strategic decisions in diverse, high-dimensional, and uncertain situations. But can these methods help us devise robust strategies for managing environmental systems under great uncertainty? Here we explore how reinforcement learning, a subfield of artificial intelligence, approaches decision problems through a lens similar to adaptive environmental management: learning through experience to gradually improve decisions with updated knowledge. We review where reinforcement learning (RL) holds promise for improving evidence-informed adaptive management decisions even when classical optimization methods are intractable. For example, model-free deep RL might help identify quantitative decision strategies even when models are nonidentifiable. Finally, we discuss technical and social issues that arise when applying reinforcement learning to adaptive management problems in the environmental domain. Our synthesis suggests that environmental management and computer science can learn from one another about the practices, promises, and perils of experience-based decision-making.

Existing reinforcement learning strategies based on outcome supervision have proven effective in enhancing the performance of large language models(LLMs) for code generation. While reinforcement learning based on process supervision has shown great promise in handling multi-step reasoning tasks, its effectiveness in code generation remains largely underexplored and underjustified. The primary obstacle stems from the resource-intensive nature of constructing high-quality process-supervised data, which demands substantial human expertise and computational resources. In response to this challenge, we propose a "statement mutation/refactoring-compile and execution verification" strategy: mutating and refactoring code line-by-line through a teacher model, and utilizing compiler execution results to automatically label each line, resulting in line-by-line process-supervised data, which is pivotal for training a process-supervised reward model. The trained reward model is then integrated into the PRLCoder framework, followed by experimental validation on several benchmarks. Experimental results demonstrate that process-supervised reinforcement learning significantly surpasses methods relying solely on outcome supervision. Notably, in tackling complex code generation tasks, process-supervised reinforcement learning shows a clear advantage, ensuring both the integrity of the code generation process and the correctness of the generation results.

Large language models (LLMs) provide a compelling foundation for building generally-capable AI agents. These agents may soon be deployed at scale in the real world, representing the interests of individual humans (e.g., AI assistants) or groups of humans (e.g., AI-accelerated corporations). At present, relatively little is known about the dynamics of multiple LLM agents interacting over many generations of iterative deployment. In this paper, we examine whether a "society" of LLM agents can learn mutually beneficial social norms in the face of incentives to defect, a distinctive feature of human sociality that is arguably crucial to the success of civilization. In particular, we study the evolution of indirect reciprocity across generations of LLM agents playing a classic iterated Donor Game in which agents can observe the recent behavior of their peers. We find that the evolution of cooperation differs markedly across base models, with societies of Claude 3.5 Sonnet agents achieving significantly higher average scores than Gemini 1.5 Flash, which, in turn, outperforms GPT-4o. Further, Claude 3.5 Sonnet can make use of an additional mechanism for costly punishment to achieve yet higher scores, while Gemini 1.5 Flash and GPT-4o fail to do so. For each model class, we also observe variation in emergent behavior across random seeds, suggesting an understudied sensitive dependence on initial conditions. We suggest that our evaluation regime could inspire an inexpensive and informative new class of LLM benchmarks, focussed on the implications of LLM agent deployment for the cooperative infrastructure of society.

Reward-based optimization algorithms require both exploration, to find rewards, and exploitation, to maximize performance. The need for efficient exploration is even more significant in sparse reward settings, in which performance feedback is given sparingly, thus rendering it unsuitable for guiding the search process. In this work, we introduce the SparsE Reward Exploration via Novelty and Emitters (SERENE) algorithm, capable of efficiently exploring a search space, as well as optimizing rewards found in potentially disparate areas. Contrary to existing emitters-based approaches, SERENE separates the search space exploration and reward exploitation into two alternating processes. The first process performs exploration through Novelty Search, a divergent search algorithm. The second one exploits discovered reward areas through emitters, i.e. local instances of population-based optimization algorithms. A meta-scheduler allocates a global computational budget by alternating between the two processes, ensuring the discovery and efficient exploitation of disjoint reward areas. SERENE returns both a collection of diverse solutions covering the search space and a collection of high-performing solutions for each distinct reward area. We evaluate SERENE on various sparse reward environments and show it compares favorably to existing baselines.

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

In problem-solving, we humans can come up with multiple novel solutions to the same problem. However, reinforcement learning algorithms can only produce a set of monotonous policies that maximize the cumulative reward but lack diversity and novelty. In this work, we address the problem of generating novel policies in reinforcement learning tasks. Instead of following the multi-objective framework used in existing methods, we propose to rethink the problem under a novel perspective of constrained optimization. We first introduce a new metric to evaluate the difference between policies and then design two practical novel policy generation methods following the new perspective. The two proposed methods, namely the Constrained Task Novel Bisector (CTNB) and the Interior Policy Differentiation (IPD), are derived from the feasible direction method and the interior point method commonly known in the constrained optimization literature. Experimental comparisons on the MuJoCo control suite show our methods can achieve substantial improvement over previous novelty-seeking methods in terms of both the novelty of policies and their performances in the primal task.

Mathematical reasoning---a core ability within human intelligence---presents some unique challenges as a domain: we do not come to understand and solve mathematical problems primarily on the back of experience and evidence, but on the basis of inferring, learning, and exploiting laws, axioms, and symbol manipulation rules. In this paper, we present a new challenge for the evaluation (and eventually the design) of neural architectures and similar system, developing a task suite of mathematics problems involving sequential questions and answers in a free-form textual input/output format. The structured nature of the mathematics domain, covering arithmetic, algebra, probability and calculus, enables the construction of training and test splits designed to clearly illuminate the capabilities and failure-modes of different architectures, as well as evaluate their ability to compose and relate knowledge and learned processes. Having described the data generation process and its potential future expansions, we conduct a comprehensive analysis of models from two broad classes of the most powerful sequence-to-sequence architectures and find notable differences in their ability to resolve mathematical problems and generalize their knowledge.

Behavior constrained policy optimization has been demonstrated to be a successful paradigm for tackling Offline Reinforcement Learning. By exploiting historical transitions, a policy is trained to maximize a learned value function while constrained by the behavior policy to avoid a significant distributional shift. In this paper, we propose our closed-form policy improvement operators. We make a novel observation that the behavior constraint naturally motivates the use of first-order Taylor approximation, leading to a linear approximation of the policy objective. Additionally, as practical datasets are usually collected by heterogeneous policies, we model the behavior policies as a Gaussian Mixture and overcome the induced optimization difficulties by leveraging the LogSumExp's lower bound and Jensen's Inequality, giving rise to a closed-form policy improvement operator. We instantiate offline RL algorithms with our novel policy improvement operators and empirically demonstrate their effectiveness over state-of-the-art algorithms on the standard D4RL benchmark. Our code is available at https://cfpi-icml23.github.io/.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

This article conducts a literature review of current and future challenges in the use of artificial intelligence (AI) in cyber physical systems. The literature review is focused on identifying a conceptual framework for increasing resilience with AI through automation supporting both, a technical and human level. The methodology applied resembled a literature review and taxonomic analysis of complex internet of things (IoT) interconnected and coupled cyber physical systems. There is an increased attention on propositions on models, infrastructures and frameworks of IoT in both academic and technical papers. These reports and publications frequently represent a juxtaposition of other related systems and technologies (e.g. Industrial Internet of Things, Cyber Physical Systems, Industry 4.0 etc.). We review academic and industry papers published between 2010 and 2020. The results determine a new hierarchical cascading conceptual framework for analysing the evolution of AI decision-making in cyber physical systems. We argue that such evolution is inevitable and autonomous because of the increased integration of connected devices (IoT) in cyber physical systems. To support this argument, taxonomic methodology is adapted and applied for transparency and justifications of concepts selection decisions through building summary maps that are applied for designing the hierarchical cascading conceptual framework.

In this paper we address the solution of the popular Wordle puzzle, using new reinforcement learning methods, which apply more generally to adaptive control of dynamic systems and to classes of Partially Observable Markov Decision Process (POMDP) problems. These methods are based on approximation in value space and the rollout approach, admit a straightforward implementation, and provide improved performance over various heuristic approaches. For the Wordle puzzle, they yield on-line solution strategies that are very close to optimal at relatively modest computational cost. Our methods are viable for more complex versions of Wordle and related search problems, for which an optimal strategy would be impossible to compute. They are also applicable to a wide range of adaptive sequential decision problems that involve an unknown or frequently changing environment whose parameters are estimated on-line.

Meta-reinforcement learning algorithms can enable robots to acquire new skills much more quickly, by leveraging prior experience to learn how to learn. However, much of the current research on meta-reinforcement learning focuses on task distributions that are very narrow. For example, a commonly used meta-reinforcement learning benchmark uses different running velocities for a simulated robot as different tasks. When policies are meta-trained on such narrow task distributions, they cannot possibly generalize to more quickly acquire entirely new tasks. Therefore, if the aim of these methods is to enable faster acquisition of entirely new behaviors, we must evaluate them on task distributions that are sufficiently broad to enable generalization to new behaviors. In this paper, we propose an open-source simulated benchmark for meta-reinforcement learning and multi-task learning consisting of 50 distinct robotic manipulation tasks. Our aim is to make it possible to develop algorithms that generalize to accelerate the acquisition of entirely new, held-out tasks. We evaluate 7 state-of-the-art meta-reinforcement learning and multi-task learning algorithms on these tasks. Surprisingly, while each task and its variations (e.g., with different object positions) can be learned with reasonable success, these algorithms struggle to learn with multiple tasks at the same time, even with as few as ten distinct training tasks. Our analysis and open-source environments pave the way for future research in multi-task learning and meta-learning that can enable meaningful generalization, thereby unlocking the full potential of these methods.

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

While reinforcement learning algorithms can learn effective policies for complex tasks, these policies are often brittle to even minor task variations, especially when variations are not explicitly provided during training. One natural approach to this problem is to train agents with manually specified variation in the training task or environment. However, this may be infeasible in practical situations, either because making perturbations is not possible, or because it is unclear how to choose suitable perturbation strategies without sacrificing performance. The key insight of this work is that learning diverse behaviors for accomplishing a task can directly lead to behavior that generalizes to varying environments, without needing to perform explicit perturbations during training. By identifying multiple solutions for the task in a single environment during training, our approach can generalize to new situations by abandoning solutions that are no longer effective and adopting those that are. We theoretically characterize a robustness set of environments that arises from our algorithm and empirically find that our diversity-driven approach can extrapolate to various changes in the environment and task.

Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. The advances in algorithms and the increasing interest in Pareto-optimal solutions have led to a wide range of new applications related to optimal and feedback control - potentially with non-smoothness both on the level of the objectives or in the system dynamics. This results in new challenges such as dealing with expensive models (e.g., governed by partial differential equations (PDEs)) and developing dedicated algorithms handling the non-smoothness. Since in contrast to single-objective optimization, the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging, which is particularly problematic when the objectives are costly to evaluate or when a solution has to be presented very quickly. This article gives an overview of recent developments in the field of multiobjective optimization of non-smooth PDE-constrained problems. In particular we report on the advances achieved within Project 2 "Multiobjective Optimization of Non-Smooth PDE-Constrained Problems - Switches, State Constraints and Model Order Reduction" of the DFG Priority Programm 1962 "Non-smooth and Complementarity-based Distributed Parameter Systems: Simulation and Hierarchical Optimization".

Interpretability of Deep Learning (DL) is a barrier to trustworthy AI. Despite great efforts made by the Explainable AI (XAI) community, explanations lack robustness -- indistinguishable input perturbations may lead to different XAI results. Thus, it is vital to assess how robust DL interpretability is, given an XAI method. In this paper, we identify several challenges that the state-of-the-art is unable to cope with collectively: i) existing metrics are not comprehensive; ii) XAI techniques are highly heterogeneous; iii) misinterpretations are normally rare events. To tackle these challenges, we introduce two black-box evaluation methods, concerning the worst-case interpretation discrepancy and a probabilistic notion of how robust in general, respectively. Genetic Algorithm (GA) with bespoke fitness function is used to solve constrained optimisation for efficient worst-case evaluation. Subset Simulation (SS), dedicated to estimate rare event probabilities, is used for evaluating overall robustness. Experiments show that the accuracy, sensitivity, and efficiency of our methods outperform the state-of-the-arts. Finally, we demonstrate two applications of our methods: ranking robust XAI methods and selecting training schemes to improve both classification and interpretation robustness.

Self-tuning algorithms that adapt the learning process online encourage more effective and robust learning. Among all the methods available, meta-gradients have emerged as a promising approach. They leverage the differentiability of the learning rule with respect to some hyper-parameters to adapt them in an online fashion. Although meta-gradients can be accumulated over multiple learning steps to avoid myopic updates, this is rarely used in practice. In this work, we demonstrate that whilst multi-step meta-gradients do provide a better learning signal in expectation, this comes at the cost of a significant increase in variance, hindering performance. In the light of this analysis, we introduce a novel method mixing multiple inner steps that enjoys a more accurate and robust meta-gradient signal, essentially trading off bias and variance in meta-gradient estimation. When applied to the Snake game, the mixing meta-gradient algorithm can cut the variance by a factor of 3 while achieving similar or higher performance.