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Jun 9

SESNet: sequence-structure feature-integrated deep learning method for data-efficient protein engineering

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet, a supervised deep-learning model to predict the fitness for protein mutants by leveraging both sequence and structure information, and exploiting attention mechanism. Our model integrates local evolutionary context from homologous sequences, the global evolutionary context encoding rich semantic from the universal protein sequence space and the structure information accounting for the microenvironment around each residue in a protein. We show that SESNet outperforms state-of-the-art models for predicting the sequence-function relationship on 26 deep mutational scanning datasets. More importantly, we propose a data augmentation strategy by leveraging the data from unsupervised models to pre-train our model. After that, our model can achieve strikingly high accuracy in prediction of the fitness of protein mutants, especially for the higher order variants (> 4 mutation sites), when finetuned by using only a small number of experimental mutation data (<50). The strategy proposed is of great practical value as the required experimental effort, i.e., producing a few tens of experimental mutation data on a given protein, is generally affordable by an ordinary biochemical group and can be applied on almost any protein.

  • 7 authors
·
Dec 28, 2022

Contexting as Recommendation: Evolutionary Collaborative Filtering for Context Engineering

Large Language Models (LLMs) are highly sensitive to their input contexts, motivating the development of automated context engineering. However, existing methods predominantly treat this as a global search problem, seeking a single context strategy that maximizes average performance across a dataset. This restrictive assumption overlooks the fact that different inputs often require distinct guidance, leaving substantial instance-level performance gains untapped. In this paper, we propose a paradigm shift by formulating context engineering as a recommendation problem. We introduce Neural Collaborative Context Engineering (NCCE), a framework that transitions optimization from a static global search to dynamic, instance-wise routing. NCCE first bootstraps a diverse catalog of anchor contexts and then employs a novel Context-CF Co-Evolution mechanism. This stage establishes a synergistic feedback loop: a lightweight Neural Collaborative Filtering (NCF) model learns instance-context preferences to guide the generation of specialized context variants, while the newly evaluated contexts continuously refine the NCF model's understanding of latent preferences. At inference time, the trained NCF model acts as a context router, dynamically assigning the most suitable context strategy to each unseen instance. Theoretical Proofs and comprehensive experiments demonstrate that by matching individual inputs with their optimal contexts, NCCE significantly improves task accuracy, highlighting the critical importance of personalization in LLM context engineering.

  • 12 authors
·
May 14

BlackDAN: A Black-Box Multi-Objective Approach for Effective and Contextual Jailbreaking of Large Language Models

While large language models (LLMs) exhibit remarkable capabilities across various tasks, they encounter potential security risks such as jailbreak attacks, which exploit vulnerabilities to bypass security measures and generate harmful outputs. Existing jailbreak strategies mainly focus on maximizing attack success rate (ASR), frequently neglecting other critical factors, including the relevance of the jailbreak response to the query and the level of stealthiness. This narrow focus on single objectives can result in ineffective attacks that either lack contextual relevance or are easily recognizable. In this work, we introduce BlackDAN, an innovative black-box attack framework with multi-objective optimization, aiming to generate high-quality prompts that effectively facilitate jailbreaking while maintaining contextual relevance and minimizing detectability. BlackDAN leverages Multiobjective Evolutionary Algorithms (MOEAs), specifically the NSGA-II algorithm, to optimize jailbreaks across multiple objectives including ASR, stealthiness, and semantic relevance. By integrating mechanisms like mutation, crossover, and Pareto-dominance, BlackDAN provides a transparent and interpretable process for generating jailbreaks. Furthermore, the framework allows customization based on user preferences, enabling the selection of prompts that balance harmfulness, relevance, and other factors. Experimental results demonstrate that BlackDAN outperforms traditional single-objective methods, yielding higher success rates and improved robustness across various LLMs and multimodal LLMs, while ensuring jailbreak responses are both relevant and less detectable.

  • 7 authors
·
Oct 13, 2024

EVOREFUSE: Evolutionary Prompt Optimization for Evaluation and Mitigation of LLM Over-Refusal to Pseudo-Malicious Instructions

Large language models (LLMs) frequently refuse to respond to pseudo-malicious instructions: semantically harmless input queries triggering unnecessary LLM refusals due to conservative safety alignment, significantly impairing user experience. Collecting such instructions is crucial for evaluating and mitigating over-refusals, but existing instruction curation methods, like manual creation or instruction rewriting, either lack scalability or fail to produce sufficiently diverse and effective refusal-inducing prompts. To address these limitations, we introduce EVOREFUSE, a prompt optimization approach that generates diverse pseudo-malicious instructions consistently eliciting confident refusals across LLMs. EVOREFUSE employs an evolutionary algorithm exploring the instruction space in more diverse directions than existing methods via mutation strategies and recombination, and iteratively evolves seed instructions to maximize evidence lower bound on LLM refusal probability. Using EVOREFUSE, we create two novel datasets: EVOREFUSE-TEST, a benchmark of 582 pseudo-malicious instructions that outperforms the next-best benchmark with 140.41% higher average refusal triggering rate across 9 LLMs, 34.86% greater lexical diversity, and 40.03% improved LLM response confidence scores; and EVOREFUSE-ALIGN, which provides 3,000 pseudo-malicious instructions with responses for supervised and preference-based alignment training. LLAMA3.1-8B-INSTRUCT supervisedly fine-tuned on EVOREFUSE-ALIGN achieves up to 14.31% fewer over-refusals than models trained on the second-best alignment dataset, without compromising safety. Our analysis with EVOREFUSE-TEST reveals models trigger over-refusals by overly focusing on sensitive keywords while ignoring broader context.

  • 9 authors
·
May 29, 2025 2

ContextEvolve: Multi-Agent Context Compression for Systems Code Optimization

Large language models are transforming systems research by automating the discovery of performance-critical algorithms for computer systems. Despite plausible codes generated by LLMs, producing solutions that meet the stringent correctness and performance requirements of systems demands iterative optimization. Test-time reinforcement learning offers high search efficiency but requires parameter updates infeasible under API-only access, while existing training-free evolutionary methods suffer from inefficient context utilization and undirected search. We introduce ContextEvolve, a multi-agent framework that achieves RL-level search efficiency under strict parameter-blind constraints by decomposing optimization context into three orthogonal dimensions: a Summarizer Agent condenses semantic state via code-to-language abstraction, a Navigator Agent distills optimization direction from trajectory analysis, and a Sampler Agent curates experience distribution through prioritized exemplar retrieval. This orchestration forms a functional isomorphism with RL-mapping to state representation, policy gradient, and experience replay-enabling principled optimization in a textual latent space. On the ADRS benchmark, ContextEvolve outperforms state-of-the-art baselines by 33.3% while reducing token consumption by 29.0%. Codes for our work are released at https://anonymous.4open.science/r/ContextEvolve-ACC

  • 3 authors
·
Feb 1

Evolving Prompts In-Context: An Open-ended, Self-replicating Perspective

We propose a novel prompt design paradigm that challenges conventional wisdom in large language model (LLM) prompting. While conventional wisdom prioritizes well-crafted instructions and demonstrations for in-context learning (ICL), we show that pruning random demonstrations into seemingly incoherent "gibberish" can remarkably improve performance across diverse tasks. Notably, the "gibberish" always matches or surpasses state-of-the-art automatic prompt optimization techniques, achieving substantial gains regardless of LLM alignment. Nevertheless, discovering an effective pruning strategy is non-trivial, as existing attribution methods and prompt compression algorithms fail to deliver robust results, let alone human intuition. In terms of this, we propose a self-discover prompt optimization framework, PromptQuine, an evolutionary search framework that automatically searches for the pruning strategy by itself using only low-data regimes. Much like the emergent complexity in nature--such as symbiosis and self-organization--arising in response to resource constraints, our framework evolves and refines unconventional yet highly effective prompts by leveraging only the tokens present within the context. We demonstrate its effectiveness across classification, multi-choice question answering, generation and math reasoning tasks across LLMs, while achieving decent runtime efficiency. We hope our findings can guide mechanistic studies on in-context learning, and provide a call to action, to pave the way for more open-ended search algorithms for more effective LLM prompting.

  • 3 authors
·
Jun 22, 2025 2

AgentNet: Decentralized Evolutionary Coordination for LLM-based Multi-Agent Systems

The rapid advancement of large language models (LLMs) has enabled the development of multi-agent systems where multiple LLM-based agents collaborate on complex tasks. However, existing systems often rely on centralized coordination, leading to scalability bottlenecks, reduced adaptability, and single points of failure. Privacy and proprietary knowledge concerns further hinder cross-organizational collaboration, resulting in siloed expertise. We propose AgentNet, a decentralized, Retrieval-Augmented Generation (RAG)-based framework that enables LLM-based agents to specialize, evolve, and collaborate autonomously in a dynamically structured Directed Acyclic Graph (DAG). Unlike prior approaches with static roles or centralized control, AgentNet allows agents to adjust connectivity and route tasks based on local expertise and context. AgentNet introduces three key innovations: (1) a fully decentralized coordination mechanism that eliminates the need for a central orchestrator, enhancing robustness and emergent intelligence; (2) dynamic agent graph topology that adapts in real time to task demands, ensuring scalability and resilience; and (3) a retrieval-based memory system for agents that supports continual skill refinement and specialization. By minimizing centralized control and data exchange, AgentNet enables fault-tolerant, privacy-preserving collaboration across organizations. Experiments show that AgentNet achieves higher task accuracy than both single-agent and centralized multi-agent baselines.

  • 7 authors
·
Apr 1, 2025

What Do Evolutionary Coding Agents Evolve?

Recent work pairs LLMs with evolutionary search to iteratively generate, modify, and select code using task-specific feedback. These systems have produced strong results in mathematical discovery and algorithm design, yet a fundamental question remains: what do they actually evolve? Progress is typically summarized by the best score a run reaches under a task-specific evaluator, but that score can reflect several different mechanisms: new algorithmic structure, re-tuning an existing strategy, recombining ideas already in the model's internal knowledge, or overfitting to the evaluator. Distinguishing these mechanisms requires inspecting the search process itself, not only its final outcome. We introduce EvoTrace, a dataset of evolutionary coding traces spanning four evolutionary frameworks, reasoning and non-reasoning models, and 16 tasks across mathematics and algorithm design. To analyze these traces, we develop EvoReplay, a replay-based methodology that reconstructs the local search states behind high-scoring solutions and tests controlled interventions, including adjusting constants, removing program components and substituting models or prompting contexts. We annotate every code edit in EvoTrace with one of nine recurring edit types using an LLM-as-judge pipeline validated against blind human re-annotation. Across EvoTrace, most score gains come from a small subset of these edit types. We further find a deterministic cycling pattern: about 30% of code lines added during search are byte-identical re-introductions of previously-deleted lines, present throughout nearly every run. These results show that benchmark gains in evolutionary coding agents can arise from qualitatively different mechanisms, only some of which correspond to new algorithmic structure. EvoTrace enables more diagnostic evaluation of evolutionary coding agents beyond final benchmark scores.

  • 7 authors
·
May 18

Large Language Models As Evolution Strategies

Large Transformer models are capable of implementing a plethora of so-called in-context learning algorithms. These include gradient descent, classification, sequence completion, transformation, and improvement. In this work, we investigate whether large language models (LLMs), which never explicitly encountered the task of black-box optimization, are in principle capable of implementing evolutionary optimization algorithms. While previous works have solely focused on language-based task specification, we move forward and focus on the zero-shot application of LLMs to black-box optimization. We introduce a novel prompting strategy, consisting of least-to-most sorting of discretized population members and querying the LLM to propose an improvement to the mean statistic, i.e. perform a type of black-box recombination operation. Empirically, we find that our setup allows the user to obtain an LLM-based evolution strategy, which we call `EvoLLM', that robustly outperforms baseline algorithms such as random search and Gaussian Hill Climbing on synthetic BBOB functions as well as small neuroevolution tasks. Hence, LLMs can act as `plug-in' in-context recombination operators. We provide several comparative studies of the LLM's model size, prompt strategy, and context construction. Finally, we show that one can flexibly improve EvoLLM's performance by providing teacher algorithm information via instruction fine-tuning on previously collected teacher optimization trajectories.

  • 3 authors
·
Feb 28, 2024

Large Language and Text-to-3D Models for Engineering Design Optimization

The current advances in generative AI for learning large neural network models with the capability to produce essays, images, music and even 3D assets from text prompts create opportunities for a manifold of disciplines. In the present paper, we study the potential of deep text-to-3D models in the engineering domain, with focus on the chances and challenges when integrating and interacting with 3D assets in computational simulation-based design optimization. In contrast to traditional design optimization of 3D geometries that often searches for the optimum designs using numerical representations, such as B-Spline surface or deformation parameters in vehicle aerodynamic optimization, natural language challenges the optimization framework by requiring a different interpretation of variation operators while at the same time may ease and motivate the human user interaction. Here, we propose and realize a fully automated evolutionary design optimization framework using Shap-E, a recently published text-to-3D asset network by OpenAI, in the context of aerodynamic vehicle optimization. For representing text prompts in the evolutionary optimization, we evaluate (a) a bag-of-words approach based on prompt templates and Wordnet samples, and (b) a tokenisation approach based on prompt templates and the byte pair encoding method from GPT4. Our main findings from the optimizations indicate that, first, it is important to ensure that the designs generated from prompts are within the object class of application, i.e. diverse and novel designs need to be realistic, and, second, that more research is required to develop methods where the strength of text prompt variations and the resulting variations of the 3D designs share causal relations to some degree to improve the optimization.

  • 3 authors
·
Jul 3, 2023

Eureka: Human-Level Reward Design via Coding Large Language Models

Large Language Models (LLMs) have excelled as high-level semantic planners for sequential decision-making tasks. However, harnessing them to learn complex low-level manipulation tasks, such as dexterous pen spinning, remains an open problem. We bridge this fundamental gap and present Eureka, a human-level reward design algorithm powered by LLMs. Eureka exploits the remarkable zero-shot generation, code-writing, and in-context improvement capabilities of state-of-the-art LLMs, such as GPT-4, to perform evolutionary optimization over reward code. The resulting rewards can then be used to acquire complex skills via reinforcement learning. Without any task-specific prompting or pre-defined reward templates, Eureka generates reward functions that outperform expert human-engineered rewards. In a diverse suite of 29 open-source RL environments that include 10 distinct robot morphologies, Eureka outperforms human experts on 83% of the tasks, leading to an average normalized improvement of 52%. The generality of Eureka also enables a new gradient-free in-context learning approach to reinforcement learning from human feedback (RLHF), readily incorporating human inputs to improve the quality and the safety of the generated rewards without model updating. Finally, using Eureka rewards in a curriculum learning setting, we demonstrate for the first time, a simulated Shadow Hand capable of performing pen spinning tricks, adeptly manipulating a pen in circles at rapid speed.

  • 9 authors
·
Oct 19, 2023 3

From Grunts to Grammar: Emergent Language from Cooperative Foraging

Early cavemen relied on gestures, vocalizations, and simple signals to coordinate, plan, avoid predators, and share resources. Today, humans collaborate using complex languages to achieve remarkable results. What drives this evolution in communication? How does language emerge, adapt, and become vital for teamwork? Understanding the origins of language remains a challenge. A leading hypothesis in linguistics and anthropology posits that language evolved to meet the ecological and social demands of early human cooperation. Language did not arise in isolation, but through shared survival goals. Inspired by this view, we investigate the emergence of language in multi-agent Foraging Games. These environments are designed to reflect the cognitive and ecological constraints believed to have influenced the evolution of communication. Agents operate in a shared grid world with only partial knowledge about other agents and the environment, and must coordinate to complete games like picking up high-value targets or executing temporally ordered actions. Using end-to-end deep reinforcement learning, agents learn both actions and communication strategies from scratch. We find that agents develop communication protocols with hallmark features of natural language: arbitrariness, interchangeability, displacement, cultural transmission, and compositionality. We quantify each property and analyze how different factors, such as population size and temporal dependencies, shape specific aspects of the emergent language. Our framework serves as a platform for studying how language can evolve from partial observability, temporal reasoning, and cooperative goals in embodied multi-agent settings. We will release all data, code, and models publicly.

  • 7 authors
·
May 19, 2025 2

EVOCHAMBER: Test-Time Co-evolution of Multi-Agent System at Individual, Team, and Population Scales

We argue that multi-agent test-time evolution is not single-agent evolution replicated N times. A single-agent learner can only evolve its own context and memory. A multi-agent system additionally evolves who collaborates, how they collaborate, and how knowledge flows across the population. These components have no single-agent counterpart and can produce phenomena such as emergent specialization. Yet prior test-time methods either confine experiences to individual agents, forfeiting cross-agent learning, or broadcast symmetrically to all agents, erasing the specialization that makes collaboration valuable. We present EVOCHAMBER, a training-free framework that instantiates test-time evolution at three levels over a coevolving agent pool. At its core is CODREAM (Collaborative Dreaming), a post-task protocol triggered on team failure or disagreement, in which agents collaboratively reflect, distill insights, and route them asymmetrically from strong to weak agents on the failed niche, preserving specialization while filling knowledge gaps. Team-level operators assemble niche-conditioned teams and select collaboration structures online. Population-level lifecycle operators fork, merge, prune, and seed agents under performance pressure. On three heterogeneous task streams with Qwen3-8B, EVOCHAMBER reaches 63.9% on competition math, 75.7% on code, and 87.1% on multi-domain reasoning, outperforming the best baseline by 32% relative on math and confirming asymmetric cross-agent transfer as the primary driver in ablation. Starting from several identically initialized agents, four to five stable niche specialists spontaneously emerge, a structural signature of multi-agent evolution that no single-agent learner can express. See our code at: https://github.com/Mercury7353/EvoChamber

  • 6 authors
·
May 10 1

Cultural evolution in populations of Large Language Models

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.

  • 7 authors
·
Mar 13, 2024

What it takes to solve the Origin(s) of Life: An integrated review of techniques

Understanding the origin(s) of life (OoL) is a fundamental challenge for science in the 21st century. Research on OoL spans many disciplines, including chemistry, physics, biology, planetary sciences, computer science, mathematics and philosophy. The sheer number of different scientific perspectives relevant to the problem has resulted in the coexistence of diverse tools, techniques, data, and software in OoL studies. This has made communication between the disciplines relevant to the OoL extremely difficult because the interpretation of data, analyses, or standards of evidence can vary dramatically. Here, we hope to bridge this wide field of study by providing common ground via the consolidation of tools and techniques rather than positing a unifying view on how life emerges. We review the common tools and techniques that have been used significantly in OoL studies in recent years. In particular, we aim to identify which information is most relevant for comparing and integrating the results of experimental analyses into mathematical and computational models. This review aims to provide a baseline expectation and understanding of technical aspects of origins research, rather than being a primer on any particular topic. As such, it spans broadly -- from analytical chemistry to mathematical models -- and highlights areas of future work that will benefit from a multidisciplinary approach to tackling the mystery of life's origin. Ultimately, we hope to empower a new generation of OoL scientists by reviewing how they can investigate life's origin, rather than dictating how to think about the problem.

  • 38 authors
·
Aug 22, 2023

All You Need Is Sex for Diversity

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.

  • 3 authors
·
Mar 30, 2023

Your Agent May Misevolve: Emergent Risks in Self-evolving LLM Agents

Advances in Large Language Models (LLMs) have enabled a new class of self-evolving agents that autonomously improve through interaction with the environment, demonstrating strong capabilities. However, self-evolution also introduces novel risks overlooked by current safety research. In this work, we study the case where an agent's self-evolution deviates in unintended ways, leading to undesirable or even harmful outcomes. We refer to this as Misevolution. To provide a systematic investigation, we evaluate misevolution along four key evolutionary pathways: model, memory, tool, and workflow. Our empirical findings reveal that misevolution is a widespread risk, affecting agents built even on top-tier LLMs (e.g., Gemini-2.5-Pro). Different emergent risks are observed in the self-evolutionary process, such as the degradation of safety alignment after memory accumulation, or the unintended introduction of vulnerabilities in tool creation and reuse. To our knowledge, this is the first study to systematically conceptualize misevolution and provide empirical evidence of its occurrence, highlighting an urgent need for new safety paradigms for self-evolving agents. Finally, we discuss potential mitigation strategies to inspire further research on building safer and more trustworthy self-evolving agents. Our code and data are available at https://github.com/ShaoShuai0605/Misevolution . Warning: this paper includes examples that may be offensive or harmful in nature.

  • 11 authors
·
Sep 30, 2025 2

Context Engineering 2.0: The Context of Context Engineering

Karl Marx once wrote that ``the human essence is the ensemble of social relations'', suggesting that individuals are not isolated entities but are fundamentally shaped by their interactions with other entities, within which contexts play a constitutive and essential role. With the advent of computers and artificial intelligence, these contexts are no longer limited to purely human--human interactions: human--machine interactions are included as well. Then a central question emerges: How can machines better understand our situations and purposes? To address this challenge, researchers have recently introduced the concept of context engineering. Although it is often regarded as a recent innovation of the agent era, we argue that related practices can be traced back more than twenty years. Since the early 1990s, the field has evolved through distinct historical phases, each shaped by the intelligence level of machines: from early human--computer interaction frameworks built around primitive computers, to today's human--agent interaction paradigms driven by intelligent agents, and potentially to human--level or superhuman intelligence in the future. In this paper, we situate context engineering, provide a systematic definition, outline its historical and conceptual landscape, and examine key design considerations for practice. By addressing these questions, we aim to offer a conceptual foundation for context engineering and sketch its promising future. This paper is a stepping stone for a broader community effort toward systematic context engineering in AI systems.

  • 9 authors
·
Oct 30, 2025

Size and shape of terrestrial animals

Natural selection for terrestrial locomotion has yielded unifying patterns in the body shape of legged animals, often manifesting as scaling laws. One such pattern appears in the frontal aspect ratio. Smaller animals like insects typically adopt a landscape frontal aspect ratio, with a wider side-to-side base of support than center of mass height. Larger animals like elephants, however, are taller than wide with a portrait aspect ratio. Known explanations for postural scaling are restricted to animal groups with similar anatomical and behavioural motifs, but the trend in frontal aspect ratio transcends such commonalities. Here we show that vertebrates and invertebrates with diverse body plans, ranging in mass from 28 mg to 22000 kg, exhibit size-dependent scaling of the frontal aspect ratio driven by the need for lateral stability on uneven natural terrain. Because natural terrain exhibit scale-dependent unevenness, and the frontal aspect ratio is important for lateral stability during locomotion, smaller animals need a wider aspect ratio for stability. This prediction is based on the fractal property of natural terrain unevenness, requires no anatomical or behavioural parameters, and agrees with the measured scaling despite vast anatomical and behavioural differences. Furthermore, a statistical phylogenetic comparative analysis found that shared ancestry and random trait evolution cannot explain the measured scaling. Thus, our findings reveal that terrain roughness, acting through natural selection for stability, likely drove the macroevolution of frontal shape in terrestrial animals.

  • 2 authors
·
Jan 31

TaxoAdapt: Aligning LLM-Based Multidimensional Taxonomy Construction to Evolving Research Corpora

The rapid evolution of scientific fields introduces challenges in organizing and retrieving scientific literature. While expert-curated taxonomies have traditionally addressed this need, the process is time-consuming and expensive. Furthermore, recent automatic taxonomy construction methods either (1) over-rely on a specific corpus, sacrificing generalizability, or (2) depend heavily on the general knowledge of large language models (LLMs) contained within their pre-training datasets, often overlooking the dynamic nature of evolving scientific domains. Additionally, these approaches fail to account for the multi-faceted nature of scientific literature, where a single research paper may contribute to multiple dimensions (e.g., methodology, new tasks, evaluation metrics, benchmarks). To address these gaps, we propose TaxoAdapt, a framework that dynamically adapts an LLM-generated taxonomy to a given corpus across multiple dimensions. TaxoAdapt performs iterative hierarchical classification, expanding both the taxonomy width and depth based on corpus' topical distribution. We demonstrate its state-of-the-art performance across a diverse set of computer science conferences over the years to showcase its ability to structure and capture the evolution of scientific fields. As a multidimensional method, TaxoAdapt generates taxonomies that are 26.51% more granularity-preserving and 50.41% more coherent than the most competitive baselines judged by LLMs.

  • 6 authors
·
Jun 12, 2025 2

AI Agent Behavioral Science

Recent advances in large language models (LLMs) have enabled the development of AI agents that exhibit increasingly human-like behaviors, including planning, adaptation, and social dynamics across diverse, interactive, and open-ended scenarios. These behaviors are not solely the product of the internal architectures of the underlying models, but emerge from their integration into agentic systems operating within specific contexts, where environmental factors, social cues, and interaction feedbacks shape behavior over time. This evolution necessitates a new scientific perspective: AI Agent Behavioral Science. Rather than focusing only on internal mechanisms, this perspective emphasizes the systematic observation of behavior, design of interventions to test hypotheses, and theory-guided interpretation of how AI agents act, adapt, and interact over time. We systematize a growing body of research across individual agent, multi-agent, and human-agent interaction settings, and further demonstrate how this perspective informs responsible AI by treating fairness, safety, interpretability, accountability, and privacy as behavioral properties. By unifying recent findings and laying out future directions, we position AI Agent Behavioral Science as a necessary complement to traditional model-centric approaches, providing essential tools for understanding, evaluating, and governing the real-world behavior of increasingly autonomous AI systems.

  • 16 authors
·
Jun 4, 2025 2

Mycorrhiza: Genotype Assignment usingPhylogenetic Networks

Motivation The genotype assignment problem consists of predicting, from the genotype of an individual, which of a known set of populations it originated from. The problem arises in a variety of contexts, including wildlife forensics, invasive species detection and biodiversity monitoring. Existing approaches perform well under ideal conditions but are sensitive to a variety of common violations of the assumptions they rely on. Results In this article, we introduce Mycorrhiza, a machine learning approach for the genotype assignment problem. Our algorithm makes use of phylogenetic networks to engineer features that encode the evolutionary relationships among samples. Those features are then used as input to a Random Forests classifier. The classification accuracy was assessed on multiple published empirical SNP, microsatellite or consensus sequence datasets with wide ranges of size, geographical distribution and population structure and on simulated datasets. It compared favorably against widely used assessment tests or mixture analysis methods such as STRUCTURE and Admixture, and against another machine-learning based approach using principal component analysis for dimensionality reduction. Mycorrhiza yields particularly significant gains on datasets with a large average fixation index (FST) or deviation from the Hardy-Weinberg equilibrium. Moreover, the phylogenetic network approach estimates mixture proportions with good accuracy.

  • 3 authors
·
Oct 13, 2020

THE-Tree: Can Tracing Historical Evolution Enhance Scientific Verification and Reasoning?

Large Language Models (LLMs) are accelerating scientific idea generation, but rigorously evaluating these numerous, often superficial, AI-generated propositions for novelty and factual accuracy is a critical bottleneck; manual verification is too slow. Existing validation methods are inadequate: LLMs as standalone verifiers may hallucinate and lack domain knowledge (our findings show 60% unawareness of relevant papers in specific domains), while traditional citation networks lack explicit causality and narrative surveys are unstructured. This underscores a core challenge: the absence of structured, verifiable, and causally-linked historical data of scientific evolution.To address this,we introduce THE-Tree (Technology History Evolution Tree), a computational framework that constructs such domain-specific evolution trees from scientific literature. THE-Tree employs a search algorithm to explore evolutionary paths. During its node expansion, it utilizes a novel "Think-Verbalize-Cite-Verify" process: an LLM proposes potential advancements and cites supporting literature. Critically, each proposed evolutionary link is then validated for logical coherence and evidential support by a recovered natural language inference mechanism that interrogates the cited literature, ensuring that each step is grounded. We construct and validate 88 THE-Trees across diverse domains and release a benchmark dataset including up to 71k fact verifications covering 27k papers to foster further research. Experiments demonstrate that i) in graph completion, our THE-Tree improves hit@1 by 8% to 14% across multiple models compared to traditional citation networks; ii) for predicting future scientific developments, it improves hit@1 metric by nearly 10%; and iii) when combined with other methods, it boosts the performance of evaluating important scientific papers by almost 100%.

  • 8 authors
·
Jun 26, 2025

Data Darwinism Part II: DataEvolve -- AI can Autonomously Evolve Pretraining Data Curation

Data Darwinism (Part I) established a ten-level hierarchy for data processing, showing that stronger processing can unlock greater data value. However, that work relied on manually designed strategies for a single category. Modern pretraining corpora comprise hundreds of heterogeneous categories spanning domains and content types, each demanding specialized treatment. At this scale, manual strategy design becomes prohibitive. This raises a key question: can strategies evolve in an automated way? We introduce DataEvolve, a framework that enables strategies to evolve through iterative optimization rather than manual design. For each data category, DataEvolve operates in a closed evolutionary loop: it identifies quality issues, generates candidate strategies, executes them on sampled data, evaluates results, and refines approaches across generations. The process accumulates knowledge through an experience pool of discovered issues and a strategy pool tracking performance across iterations. Applied to 8 categories spanning 672B tokens from Nemotron-CC, DataEvolve produces Darwin-CC, a 504B-token dataset with strategies evolved through 30 iterations per category. Training 3B models on 500B tokens, Darwin-CC outperforms raw data (+3.96 points) and achieves a 44.13 average score across 18 benchmarks, surpassing DCLM, Ultra-FineWeb, and FineWeb-Edu, with strong gains on knowledge-intensive tasks such as MMLU. Analysis shows evolved strategies converge on cleaning-focused approaches: targeted noise removal and format normalization with domain-aware preservation, echoing the L4 (Generative Refinement) principles from Part I. Ablation studies confirm iterative evolution is essential: optimized strategies outperform suboptimal ones by 2.93 points, establishing evolutionary strategy design as feasible and necessary for pretraining-scale data curation.

  • 9 authors
·
Mar 14

Chemical Heredity as Group Selection at the Molecular Level

Many examples of cooperation exist in biology. In chemical systems however, which can sometimes be quite complex, we do not appear to observe intricate cooperative interactions. A key question for the origin of life, is then how can molecular cooperation first arise in an abiotic system prior to the emergence of biological replication. We postulate that selection at the molecular level is a driving force behind the complexification of chemical systems, particularly during the origins of life. In the theory of multilevel selection the two selective forces are: within-group and between-group, where the former tends to favor "selfish" replication of individuals and the latter favor cooperation between individuals enhancing the replication of the group as a whole. These forces can be quantified using the Price equation, which is a standard tool used in evolutionary biology to quantify evolutionary change. Our central claim is that replication and heredity in chemical systems are subject to selection, and quantifiable using the multilevel Price equation. We demonstrate this using the Graded Autocatalysis Replication Domain computer model, describing simple protocell composed out of molecules and its replication, which respectively analogue to the group and the individuals. In contrast to previous treatments of this model, we treat the lipid molecules themselves as replicating individuals and the protocells they form as groups of individuals. Our goal is to demonstrate how evolutionary biology tools and concepts can be applied in chemistry and we suggest that molecular cooperation may arise as a result of group selection. Further, the biological relation of parent-progeny is proposed to be analogue to the reactant-product relation in chemistry, thus allowing for tools from evolutionary biology to be applied to chemistry and would deepen the connection between chemistry and biology.

  • 3 authors
·
Feb 22, 2018

Deep-learning-based pan-phenomic data reveals the explosive evolution of avian visual disparity

The evolution of biological morphology is critical for understanding the diversity of the natural world, yet traditional analyses often involve subjective biases in the selection and coding of morphological traits. This study employs deep learning techniques, utilising a ResNet34 model capable of recognising over 10,000 bird species, to explore avian morphological evolution. We extract weights from the model's final fully connected (fc) layer and investigate the semantic alignment between the high-dimensional embedding space learned by the model and biological phenotypes. The results demonstrate that the high-dimensional embedding space encodes phenotypic convergence. Subsequently, we assess the morphological disparity among various taxa and evaluate the association between morphological disparity and species richness, demonstrating that species richness is the primary driver of morphospace expansion. Moreover, the disparity-through-time analysis reveals a visual "early burst" after the K-Pg extinction. While mainly aimed at evolutionary analysis, this study also provides insights into the interpretability of Deep Neural Networks. We demonstrate that hierarchical semantic structures (biological taxonomy) emerged in the high-dimensional embedding space despite being trained on flat labels. Furthermore, through adversarial examples, we provide evidence that our model in this task can overcome texture bias and learn holistic shape representations (body plans), challenging the prevailing view that CNNs rely primarily on local textures.

  • 1 authors
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Feb 3

Bayesian inference from time series of allele frequency data using exact simulation techniques

A central statistical problem in population genetics is to infer evolutionary and biological parameters such as the strength of natural selection and allele age from DNA samples extracted from a contemporary population. That all samples come only from the present-day has long been known to limit statistical inference; there is potentially more information available if one also has access to ancient DNA so that inference is based on a time-series of historical changes in allele frequencies. We introduce a Markov Chain Monte Carlo (MCMC) method for Bayesian inference from allele frequency time-series data based on an underlying Wright--Fisher diffusion model of evolution, through which one can infer the parameters of essentially any selection model including those with frequency-dependent effects. The chief novelty is that we show this method to be exact in the sense that it is possible to augment the state space explored by MCMC with the unobserved diffusion trajectory, even though the transition function of this diffusion is intractable. Through careful design of a proposal distribution, we describe an efficient method in which updates to the trajectory and accept/reject decisions are calculated without error. We illustrate the method on data capturing changes in coat colour over the past 20,000 years, and find evidence to support previous findings that the mutant alleles ASIP and MC1R responsible for changes in coat color have experienced very strong, possibly overdominant, selection and further provide estimates for the ages of these genes.

  • 4 authors
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Feb 16, 2025

EvoScientist: Towards Multi-Agent Evolving AI Scientists for End-to-End Scientific Discovery

The increasing adoption of Large Language Models (LLMs) has enabled AI scientists to perform complex end-to-end scientific discovery tasks requiring coordination of specialized roles, including idea generation and experimental execution. However, most state-of-the-art AI scientist systems rely on static, hand-designed pipelines and fail to adapt based on accumulated interaction histories. As a result, these systems overlook promising research directions, repeat failed experiments, and pursue infeasible ideas. To address this, we introduce EvoScientist, an evolving multi-agent AI scientist framework that continuously improves research strategies through persistent memory and self-evolution. EvoScientist comprises three specialized agents: a Researcher Agent (RA) for scientific idea generation, an Engineer Agent (EA) for experiment implementation and execution, and an Evolution Manager Agent (EMA) that distills insights from prior interactions into reusable knowledge. EvoScientist contains two persistent memory modules: (i) an ideation memory, which summarizes feasible research directions from top-ranked ideas while recording previously unsuccessful directions; and (ii) an experimentation memory, which captures effective data processing and model training strategies derived from code search trajectories and best-performing implementations. These modules enable the RA and EA to retrieve relevant prior strategies, improving idea quality and code execution success rates over time. Experiments show that EvoScientist outperforms 7 open-source and commercial state-of-the-art systems in scientific idea generation, achieving higher novelty, feasibility, relevance, and clarity via automatic and human evaluation. EvoScientist also substantially improves code execution success rates through multi-agent evolution, demonstrating persistent memory's effectiveness for end-to-end scientific discovery.

  • 12 authors
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Mar 9 5

Early warning signals: The charted and uncharted territories

The realization that complex systems such as ecological communities can collapse or shift regimes suddenly and without rapid external forcing poses a serious challenge to our understanding and management of the natural world. The potential to identify early warning signals that would allow researchers and managers to predict such events before they happen has therefore been an invaluable discovery that offers a way forward in spite of such seemingly unpredictable behavior. Research into early warning signals has demonstrated that it is possible to define and detect such early warning signals in advance of a transition in certain contexts. Here we describe the pattern emerging as research continues to explore just how far we can generalize these results. A core of examples emerges that shares three properties: the phenomenon of rapid regime shifts, a pattern of 'critical slowing down' that can be used to detect the approaching shift, and a mechanism of bifurcation driving the sudden change. As research has expanded beyond these core examples, it is becoming clear that not all systems that show regime shifts exhibit critical slowing down, or vice versa. Even when systems exhibit critical slowing down, statistical detection is a challenge. We review the literature that explores these edge cases and highlight the need for (a) new early warning behaviors that can be used in cases where rapid shifts do not exhibit critical slowing down, (b) the development of methods to identify which behavior might be an appropriate signal when encountering a novel system; bearing in mind that a positive indication for some systems is a negative indication in others, and (c) statistical methods that can distinguish between signatures of early warning behaviors and noise.

  • 3 authors
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May 29, 2013

Intern-Atlas: A Methodological Evolution Graph as Research Infrastructure for AI Scientists

Existing research infrastructure is fundamentally document-centric, providing citation links between papers but lacking explicit representations of methodological evolution. In particular, it does not capture the structured relationships that explain how and why research methods emerge, adapt, and build upon one another. With the rise of AI-driven research agents as a new class of consumers of scientific knowledge, this limitation becomes increasingly consequential, as such agents cannot reliably reconstruct method evolution topologies from unstructured text. We introduce Intern-Atlas, a methodological evolution graph that automatically identifies method-level entities, infers lineage relationships among methodologies, and captures the bottlenecks that drive transitions between successive innovations. Built from 1,030,314 papers spanning AI conferences, journals, and arXiv preprints, the resulting graph comprises 9,410,201 semantically typed edges, each grounded in verbatim source evidence, forming a queryable causal network of methodological development. To operationalize this structure, we further propose a self-guided temporal tree search algorithm for constructing evolution chains that trace the progression of methods over time. We evaluate the quality of the resulting graph against expert-curated ground-truth evolution chains and observe strong alignment. In addition, we demonstrate that Intern-Atlas enables downstream applications in idea evaluation and automated idea generation. We position methodological evolution graphs as a foundational data layer for the emerging automated scientific discovery.

  • 13 authors
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Apr 29 4

GenericAgent: A Token-Efficient Self-Evolving LLM Agent via Contextual Information Density Maximization (V1.0)

Long-horizon large language model (LLM) agents are fundamentally limited by context. As interactions become longer, tool descriptions, retrieved memories, and raw environmental feedback accumulate and push out the information needed for decision-making. At the same time, useful experience gained from tasks is often lost across episodes. We argue that long-horizon performance is determined not by context length, but by how much decision-relevant information is maintained within a finite context budget. We present GenericAgent (GA), a general-purpose, self-evolving LLM agent system built around a single principle: context information density maximization. GA implements this through four closely connected components: a minimal atomic tool set that keeps the interface simple, a hierarchical on-demand memory that only shows a small high-level view by default, a self-evolution mechanism that turns verified past trajectories into reusable SOPs and executable code, and a context truncation and compression layer that maintains information density during long executions. Across task completion, tool use efficiency, memory effectiveness, self-evolution, and web browsing, GA consistently outperforms leading agent systems while using significantly fewer tokens and interactions, and it continues to evolve over time. Project: https://github.com/lsdefine/GenericAgent

A Language for Describing Agentic LLM Contexts

Large language models are increasingly used within larger systems ("LLM agents"). These make a sequence of LLM calls, each call providing the LLM with a combination of instructions, observations, and interaction history. The design of the encoded information and its structure play a central role in the quality of the resulting system, leading to efforts spent on context engineering. It is therefore critical to communicate the composition of the LLM context in a system, and how it evolves over time. Yet, no standard exists for doing so: context construction is typically conveyed through informal prose, ad hoc diagrams, or direct inspection of code, none of which precisely capture how a prompt evolves across interaction steps or how two context representation strategies differ. To remedy this, we introduce the Agentic Context Description Language (ACDL), a language for specifying the structure and dynamics of LLM input contexts in a precise, readable, and standard manner, along with visualizations. ACDL provides constructs for specifying context aspects such as role message sequences, dynamic content, time-indexed references, and conditional or iterative structure, capturing the full architecture of a prompt independently of any particular implementation. ACDL diagrams can be hand drawn on a whiteboard, or written in formal language which can then be rendered. We describe the language, demonstrate it by documenting several existing systems and their variants, and encourage the community to adopt it for describing LLM systems context, both in day-to-day communication and in papers. Tooling, examples and documentation are available at www.acdlang.org.

  • 3 authors
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May 2

The Causally Emergent Alignment Hypothesis: Causal Emergence Aligns with and Predicts Final Reward in Reinforcement Learning Agents

A hallmark of life on Earth is the ability of agents to exert causal power and be drivers of subsequent events. This is key to cognition at all scales. Causal emergence, measuring the degree to which an agent exerts unique predictive power on its future, is one consequence of causal power. Indeed, recent discoveries have shown that biological agents, even minimal ones, increase their causal emergence after learning new memories. However, there is a major knowledge gap regarding how causally emergent artificial agents are. We focused on Reinforcement Learning (RL) of neural-network agents across an array of environmental conditions, encompassing different algorithms, agent architectures, and six environments arranged on a complexity spectrum. For consistency, we computed the causal emergence of their latent-space representations over their lifetimes. We used the recently proposed ΦID to estimate causal emergence and tested how it related to learning performance. Our results suggested a Causally Emergent Alignment Hypothesis: successful agents exhibited causal emergence that was consistently predictive of final reward early in training and whose representational dynamics aligned with reward improvement in most tasks. This idea suggests that causal emergence may be a previously undisclosed axis of reorganization of neural representations in RL agents, with the potential to establish causal relationships and interventions that will lead to better RL agents. Our work also highlights the alignment between causal emergence and learning as another way biological and artificial creatures compare.

  • 2 authors
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May 6

A Survey of Self-Evolving Agents: On Path to Artificial Super Intelligence

Large Language Models (LLMs) have demonstrated strong capabilities but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction contexts. As LLMs are increasingly deployed in open-ended, interactive environments, this static nature has become a critical bottleneck, necessitating agents that can adaptively reason, act, and evolve in real time. This paradigm shift -- from scaling static models to developing self-evolving agents -- has sparked growing interest in architectures and methods enabling continual learning and adaptation from data, interactions, and experiences. This survey provides the first systematic and comprehensive review of self-evolving agents, organized around three foundational dimensions -- what to evolve, when to evolve, and how to evolve. We examine evolutionary mechanisms across agent components (e.g., models, memory, tools, architecture), categorize adaptation methods by stages (e.g., intra-test-time, inter-test-time), and analyze the algorithmic and architectural designs that guide evolutionary adaptation (e.g., scalar rewards, textual feedback, single-agent and multi-agent systems). Additionally, we analyze evaluation metrics and benchmarks tailored for self-evolving agents, highlight applications in domains such as coding, education, and healthcare, and identify critical challenges and research directions in safety, scalability, and co-evolutionary dynamics. By providing a structured framework for understanding and designing self-evolving agents, this survey establishes a roadmap for advancing adaptive agentic systems in both research and real-world deployments, ultimately shedding lights to pave the way for the realization of Artificial Super Intelligence (ASI), where agents evolve autonomously, performing at or beyond human-level intelligence across a wide array of tasks.

  • 27 authors
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Jul 28, 2025 4

The Last Harness You'll Ever Build

AI agents are increasingly deployed on complex, domain-specific workflows -- navigating enterprise web applications that require dozens of clicks and form fills, orchestrating multi-step research pipelines that span search, extraction, and synthesis, automating code review across unfamiliar repositories, and handling customer escalations that demand nuanced domain knowledge. Each new task domain requires painstaking, expert-driven harness engineering: designing the prompts, tools, orchestration logic, and evaluation criteria that make a foundation model effective. We present a two-level framework that automates this process. At the first level, the Harness Evolution Loop optimizes a worker agent's harness H for a single task: a Worker Agent W_{H} executes the task, an Evaluator Agent V adversarially diagnoses failures and scores performance, and an Evolution Agent E modifies the harness based on the full history of prior attempts. At the second level, the Meta-Evolution Loop optimizes the evolution protocol Λ= (W_{H}, H^{(0)}, V, E) itself across diverse tasks, learning a protocol Λ^{(text{best)} that enables rapid harness convergence on any new task -- so that adapting an agent to a novel domain requires no human harness engineering at all.} We formalize the correspondence to meta-learning and present both algorithms. The framework shifts manual harness engineering into automated harness engineering, and takes one step further -- automating the design of the automation itself.

  • 3 authors
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Apr 21 2

A Survey of Context Engineering for Large Language Models

The performance of Large Language Models (LLMs) is fundamentally determined by the contextual information provided during inference. This survey introduces Context Engineering, a formal discipline that transcends simple prompt design to encompass the systematic optimization of information payloads for LLMs. We present a comprehensive taxonomy decomposing Context Engineering into its foundational components and the sophisticated implementations that integrate them into intelligent systems. We first examine the foundational components: context retrieval and generation, context processing and context management. We then explore how these components are architecturally integrated to create sophisticated system implementations: retrieval-augmented generation (RAG), memory systems and tool-integrated reasoning, and multi-agent systems. Through this systematic analysis of over 1300 research papers, our survey not only establishes a technical roadmap for the field but also reveals a critical research gap: a fundamental asymmetry exists between model capabilities. While current models, augmented by advanced context engineering, demonstrate remarkable proficiency in understanding complex contexts, they exhibit pronounced limitations in generating equally sophisticated, long-form outputs. Addressing this gap is a defining priority for future research. Ultimately, this survey provides a unified framework for both researchers and engineers advancing context-aware AI.

  • 15 authors
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Jul 17, 2025 15

Life, uh, Finds a Way: Systematic Neural Search

We tackle the challenge of rapidly adapting an agent's behavior to solve spatiotemporally continuous problems in novel settings. Animals exhibit extraordinary abilities to adapt to new contexts, a capacity unmatched by artificial systems. Instead of focusing on generalization through deep reinforcement learning, we propose viewing behavior as the physical manifestation of a search procedure, where robust problem-solving emerges from an exhaustive search across all possible behaviors. Surprisingly, this can be done efficiently using online modification of a cognitive graph that guides action, challenging the predominant view that exhaustive search in continuous spaces is impractical. We describe an algorithm that implicitly enumerates behaviors by regulating the tight feedback loop between execution of behaviors and mutation of the graph, and provide a neural implementation based on Hebbian learning and a novel high-dimensional harmonic representation inspired by entorhinal cortex. By framing behavior as search, we provide a mathematically simple and biologically plausible model for real-time behavioral adaptation, successfully solving a variety of continuous state-space navigation problems. This framework not only offers a flexible neural substrate for other applications but also presents a powerful paradigm for understanding adaptive behavior. Our results suggest potential advancements in developmental learning and unsupervised skill acquisition, paving the way for autonomous robots to master complex skills in data-sparse environments demanding flexibility.

  • 2 authors
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Oct 2, 2024

Anatomy of a Machine Learning Ecosystem: 2 Million Models on Hugging Face

Many have observed that the development and deployment of generative machine learning (ML) and artificial intelligence (AI) models follow a distinctive pattern in which pre-trained models are adapted and fine-tuned for specific downstream tasks. However, there is limited empirical work that examines the structure of these interactions. This paper analyzes 1.86 million models on Hugging Face, a leading peer production platform for model development. Our study of model family trees -- networks that connect fine-tuned models to their base or parent -- reveals sprawling fine-tuning lineages that vary widely in size and structure. Using an evolutionary biology lens to study ML models, we use model metadata and model cards to measure the genetic similarity and mutation of traits over model families. We find that models tend to exhibit a family resemblance, meaning their genetic markers and traits exhibit more overlap when they belong to the same model family. However, these similarities depart in certain ways from standard models of asexual reproduction, because mutations are fast and directed, such that two `sibling' models tend to exhibit more similarity than parent/child pairs. Further analysis of the directional drifts of these mutations reveals qualitative insights about the open machine learning ecosystem: Licenses counter-intuitively drift from restrictive, commercial licenses towards permissive or copyleft licenses, often in violation of upstream license's terms; models evolve from multi-lingual compatibility towards english-only compatibility; and model cards reduce in length and standardize by turning, more often, to templates and automatically generated text. Overall, this work takes a step toward an empirically grounded understanding of model fine-tuning and suggests that ecological models and methods can yield novel scientific insights.

  • 3 authors
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Aug 9, 2025 4

EvoDS: Self-Evolving Autonomous Data Science Agent with Skill Learning and Context Management

Recent progress in Large Language Model (LLM) agents has enabled promising advances in automated data science. However, existing approaches remain fundamentally limited by their static action sets and lack of principled long-horizon context management, hindering their ability to accumulate reusable experience across tasks and operate reliably in multi-stage, iterative data science pipelines. To address these challenges, we introduce EvoDS, a self-evolving autonomous data science agent that learns to expand its skills and adaptively managing long-term context through agentic reinforcement learning. Specifically, EvoDS introduces two key strategies: (1) Autonomous Skill Acquisition (ASA) mechanism, which enables agents to synthesize, validate, and reuse executable skills; and (2) Adaptive Context Compression (ACC) strategy, which treats context management as a learned control problem rather than passive truncation. These strategies are orchestrated within a two-stage multi-agent training scheme, enabling EvoDS to autonomously improve over time. Theoretically, we prove that EvoDS's hierarchical design reduces tool-selection error, and its optimization objective aligns with an information bottleneck principle, ensuring efficient context use. Empirically, EvoDS outperforms state-of-the-art open-source data science agents by an average of 28.9% across four diverse benchmarks while eliminating out-of-token failures. Our code and data are available at https://github.com/usail-hkust/EvoDS.

A Comprehensive Survey of Self-Evolving AI Agents: A New Paradigm Bridging Foundation Models and Lifelong Agentic Systems

Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after deployment, limiting their ability to adapt to dynamic and evolving environments. To this end, recent research has explored agent evolution techniques that aim to automatically enhance agent systems based on interaction data and environmental feedback. This emerging direction lays the foundation for self-evolving AI agents, which bridge the static capabilities of foundation models with the continuous adaptability required by lifelong agentic systems. In this survey, we provide a comprehensive review of existing techniques for self-evolving agentic systems. Specifically, we first introduce a unified conceptual framework that abstracts the feedback loop underlying the design of self-evolving agentic systems. The framework highlights four key components: System Inputs, Agent System, Environment, and Optimisers, serving as a foundation for understanding and comparing different strategies. Based on this framework, we systematically review a wide range of self-evolving techniques that target different components of the agent system. We also investigate domain-specific evolution strategies developed for specialised fields such as biomedicine, programming, and finance, where optimisation objectives are tightly coupled with domain constraints. In addition, we provide a dedicated discussion on the evaluation, safety, and ethical considerations for self-evolving agentic systems, which are critical to ensuring their effectiveness and reliability. This survey aims to provide researchers and practitioners with a systematic understanding of self-evolving AI agents, laying the foundation for the development of more adaptive, autonomous, and lifelong agentic systems.

  • 15 authors
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Aug 10, 2025 2

Neural Brain: A Neuroscience-inspired Framework for Embodied Agents

The rapid evolution of artificial intelligence (AI) has shifted from static, data-driven models to dynamic systems capable of perceiving and interacting with real-world environments. Despite advancements in pattern recognition and symbolic reasoning, current AI systems, such as large language models, remain disembodied, unable to physically engage with the world. This limitation has driven the rise of embodied AI, where autonomous agents, such as humanoid robots, must navigate and manipulate unstructured environments with human-like adaptability. At the core of this challenge lies the concept of Neural Brain, a central intelligence system designed to drive embodied agents with human-like adaptability. A Neural Brain must seamlessly integrate multimodal sensing and perception with cognitive capabilities. Achieving this also requires an adaptive memory system and energy-efficient hardware-software co-design, enabling real-time action in dynamic environments. This paper introduces a unified framework for the Neural Brain of embodied agents, addressing two fundamental challenges: (1) defining the core components of Neural Brain and (2) bridging the gap between static AI models and the dynamic adaptability required for real-world deployment. To this end, we propose a biologically inspired architecture that integrates multimodal active sensing, perception-cognition-action function, neuroplasticity-based memory storage and updating, and neuromorphic hardware/software optimization. Furthermore, we also review the latest research on embodied agents across these four aspects and analyze the gap between current AI systems and human intelligence. By synthesizing insights from neuroscience, we outline a roadmap towards the development of generalizable, autonomous agents capable of human-level intelligence in real-world scenarios.

  • 16 authors
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May 12, 2025 1

CreativeBench: Benchmarking and Enhancing Machine Creativity via Self-Evolving Challenges

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets -- CreativeBench-Combo and CreativeBench-Explore -- the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

Mathematical exploration and discovery at scale

AlphaEvolve is a generic evolutionary coding agent that combines the generative capabilities of LLMs with automated evaluation in an iterative evolutionary framework that proposes, tests, and refines algorithmic solutions to challenging scientific and practical problems. In this paper we showcase AlphaEvolve as a tool for autonomously discovering novel mathematical constructions and advancing our understanding of long-standing open problems. To demonstrate its breadth, we considered a list of 67 problems spanning mathematical analysis, combinatorics, geometry, and number theory. The system rediscovered the best known solutions in most of the cases and discovered improved solutions in several. In some instances, AlphaEvolve is also able to generalize results for a finite number of input values into a formula valid for all input values. Furthermore, we are able to combine this methodology with Deep Think and AlphaProof in a broader framework where the additional proof-assistants and reasoning systems provide automated proof generation and further mathematical insights. These results demonstrate that large language model-guided evolutionary search can autonomously discover mathematical constructions that complement human intuition, at times matching or even improving the best known results, highlighting the potential for significant new ways of interaction between mathematicians and AI systems. We present AlphaEvolve as a powerful new tool for mathematical discovery, capable of exploring vast search spaces to solve complex optimization problems at scale, often with significantly reduced requirements on preparation and computation time.

  • 4 authors
·
Nov 3, 2025 1

EvoLattice: Persistent Internal-Population Evolution through Multi-Alternative Quality-Diversity Graph Representations for LLM-Guided Program Discovery

Large language models (LLMs) are increasingly used to evolve programs and multi-agent systems, yet most existing approaches rely on overwrite-based mutations that maintain only a single candidate at a time. Such methods discard useful variants, suffer from destructive edits, and explore a brittle search space prone to structural failure. We introduce EvoLattice, a framework that represents an entire population of candidate programs or agent behaviors within a single directed acyclic graph. Each node stores multiple persistent alternatives, and every valid path through the graph defines a distinct executable candidate, yielding a large combinatorial search space without duplicating structure. EvoLattice enables fine-grained alternative-level evaluation by scoring each alternative across all paths in which it appears, producing statistics that reveal how local design choices affect global performance. These statistics provide a dense, data-driven feedback signal for LLM-guided mutation, recombination, and pruning, while preserving successful components. Structural correctness is guaranteed by a deterministic self-repair mechanism that enforces acyclicity and dependency consistency independently of the LLM. EvoLattice naturally extends to agent evolution by interpreting alternatives as prompt fragments or sub-agent behaviors. Across program synthesis (proxy and optimizer meta-learning), EvoLattice yields more stable evolution, greater expressivity, and stronger improvement trajectories than prior LLM-guided methods. The resulting dynamics resemble quality-diversity optimization, emerging implicitly from EvoLattice's internal multi-alternative representation rather than an explicit external archive.

  • 1 authors
·
Dec 16, 2025

Agentic Context Engineering: Evolving Contexts for Self-Improving Language Models

Large language model (LLM) applications such as agents and domain-specific reasoning increasingly rely on context adaptation -- modifying inputs with instructions, strategies, or evidence, rather than weight updates. Prior approaches improve usability but often suffer from brevity bias, which drops domain insights for concise summaries, and from context collapse, where iterative rewriting erodes details over time. Building on the adaptive memory introduced by Dynamic Cheatsheet, we introduce ACE (Agentic Context Engineering), a framework that treats contexts as evolving playbooks that accumulate, refine, and organize strategies through a modular process of generation, reflection, and curation. ACE prevents collapse with structured, incremental updates that preserve detailed knowledge and scale with long-context models. Across agent and domain-specific benchmarks, ACE optimizes contexts both offline (e.g., system prompts) and online (e.g., agent memory), consistently outperforming strong baselines: +10.6% on agents and +8.6% on finance, while significantly reducing adaptation latency and rollout cost. Notably, ACE could adapt effectively without labeled supervision and instead by leveraging natural execution feedback. On the AppWorld leaderboard, ACE matches the top-ranked production-level agent on the overall average and surpasses it on the harder test-challenge split, despite using a smaller open-source model. These results show that comprehensive, evolving contexts enable scalable, efficient, and self-improving LLM systems with low overhead.

  • 13 authors
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Oct 6, 2025 5

Evolution Gym: A Large-Scale Benchmark for Evolving Soft Robots

Both the design and control of a robot play equally important roles in its task performance. However, while optimal control is well studied in the machine learning and robotics community, less attention is placed on finding the optimal robot design. This is mainly because co-optimizing design and control in robotics is characterized as a challenging problem, and more importantly, a comprehensive evaluation benchmark for co-optimization does not exist. In this paper, we propose Evolution Gym, the first large-scale benchmark for co-optimizing the design and control of soft robots. In our benchmark, each robot is composed of different types of voxels (e.g., soft, rigid, actuators), resulting in a modular and expressive robot design space. Our benchmark environments span a wide range of tasks, including locomotion on various types of terrains and manipulation. Furthermore, we develop several robot co-evolution algorithms by combining state-of-the-art design optimization methods and deep reinforcement learning techniques. Evaluating the algorithms on our benchmark platform, we observe robots exhibiting increasingly complex behaviors as evolution progresses, with the best evolved designs solving many of our proposed tasks. Additionally, even though robot designs are evolved autonomously from scratch without prior knowledge, they often grow to resemble existing natural creatures while outperforming hand-designed robots. Nevertheless, all tested algorithms fail to find robots that succeed in our hardest environments. This suggests that more advanced algorithms are required to explore the high-dimensional design space and evolve increasingly intelligent robots -- an area of research in which we hope Evolution Gym will accelerate progress. Our website with code, environments, documentation, and tutorials is available at http://evogym.csail.mit.edu.

  • 5 authors
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Jan 24, 2022