Daily Papers

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

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.

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

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.

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.

Recent extensions of Cellular Automata (CA) have incorporated key ideas from modern deep learning, dramatically extending their capabilities and catalyzing a new family of Neural Cellular Automata (NCA) techniques. Inspired by Transformer-based architectures, our work presents a new class of attention-based NCAs formed using a spatially localizedx2014yet globally organizedx2014self-attention scheme. We introduce an instance of this class named Vision Transformer Cellular Automata (ViTCA). We present quantitative and qualitative results on denoising autoencoding across six benchmark datasets, comparing ViTCA to a U-Net, a U-Net-based CA baseline (UNetCA), and a Vision Transformer (ViT). When comparing across architectures configured to similar parameter complexity, ViTCA architectures yield superior performance across all benchmarks and for nearly every evaluation metric. We present an ablation study on various architectural configurations of ViTCA, an analysis of its effect on cell states, and an investigation on its inductive biases. Finally, we examine its learned representations via linear probes on its converged cell state hidden representations, yielding, on average, superior results when compared to our U-Net, ViT, and UNetCA baselines.

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 .

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

Physics is based on probabilities as fundamental entities of a mathematical description. Expectation values of observables are computed according to the classical statistical rule. The overall probability distribution for one world covers all times. The quantum formalism arises once one focuses on the evolution of the time-local probabilistic information. Wave functions or the density matrix allow the formulation of a general linear evolution law for classical statistics. The quantum formalism for classical statistics is a powerful tool which allows us to implement for generalized Ising models the momentum observable with the associated Fourier representation. The association of operators to observables permits the computation of expectation values in terms of the density matrix by the usual quantum rule. We show that probabilistic cellular automata are quantum systems in a formulation with discrete time steps and real wave functions. With a complex structure the evolution operator for automata can be expressed in terms of a Hamiltonian involving fermionic creation and annihilation operators. The time-local probabilistic information amounts to a subsystem of the overall probabilistic system which is correlated with its environment consisting of the past and future. Such subsystems typically involve probabilistic observables for which only a probability distribution for their possible measurement values is available. Incomplete statistics does not permit to compute classical correlation functions for arbitrary subsystem-observables. Bell's inequalities are not generally applicable.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

The drive toward automating cellular network operations has grown with the increasing complexity of these systems. Despite advancements, full autonomy currently remains out of reach due to reliance on human intervention for modeling network behaviors and defining policies to meet target requirements. Network Digital Twins (NDTs) have shown promise in enhancing network intelligence, but the successful implementation of this technology is constrained by use case-specific architectures, limiting its role in advancing network autonomy. A more capable network intelligence, or "telecommunications brain", is needed to enable seamless, autonomous management of cellular network. Large Language Models (LLMs) have emerged as potential enablers for this vision but face challenges in network modeling, especially in reasoning and handling diverse data types. To address these gaps, we introduce Hermes, a chain of LLM agents that uses "blueprints" for constructing NDT instances through structured and explainable logical steps. Hermes allows automatic, reliable, and accurate network modeling of diverse use cases and configurations, thus marking progress toward fully autonomous network operations.

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

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

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

Reasoning is a core capability of large language models, yet understanding how they learn and perform multi-step reasoning remains an open problem. In this study, we explore how different architectures and training methods affect model multi-step reasoning capabilities within a cellular automata framework. By training on state sequences generated with random Boolean functions for random initial conditions to exclude memorization, we demonstrate that most neural architectures learn to abstract the underlying rules. While models achieve high accuracy in next-state prediction, their performance declines sharply if multi-step reasoning is required. We confirm that increasing model depth plays a crucial role for sequential computations. We demonstrate that an extension of the effective model depth with recurrence, memory, and test-time compute scaling substantially enhances reasoning capabilities.

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.

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is often unstructured, multimodal, and difficult to incorporate into current AI systems. This paper introduces the k-agents framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. Our framework employs large language model-based agents to encapsulate laboratory knowledge including available laboratory operations and methods for analyzing experiment results. To automate experiments, we introduce execution agents that break multi-step experimental procedures into state machines, interact with other agents to execute each step and analyze the experiment results. The analyzed results are then utilized to drive state transitions, enabling closed-loop feedback control. To demonstrate its capabilities, we applied the agents to calibrate and operate a superconducting quantum processor, where they autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at the level achieved by human scientists. Our knowledge-based agent system opens up new possibilities for managing laboratory knowledge and accelerating scientific discovery.

Recent advances in large language models(LLMs) enable compelling story generation, but connecting narrative text to playable visual environments remains an open challenge in procedural content generation(PCG). We present a lightweight pipeline that transforms short narrative prompts into a sequence of 2D tile-based game scenes, reflecting the temporal structure of stories. Given an LLM-generated narrative, our system identifies three key time frames, extracts spatial predicates in the form of "Object-Relation-Object" triples, and retrieves visual assets using affordance-aware semantic embeddings from the GameTileNet dataset. A layered terrain is generated using Cellular Automata, and objects are placed using spatial rules grounded in the predicate structure. We evaluated our system in ten diverse stories, analyzing tile-object matching, affordance-layer alignment, and spatial constraint satisfaction across frames. This prototype offers a scalable approach to narrative-driven scene generation and lays the foundation for future work on multi-frame continuity, symbolic tracking, and multi-agent coordination in story-centered PCG.

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to augment their knowledge, and triggering actions. In particular, workflows involving multiple agents solving complex tasks in a collaborative fashion exemplify their capacity to operate in less strict and less well-defined environments. Thus, a multi-agent approach has great potential for serving as a backbone in many industrial applications, ranging from complex knowledge retrieval systems to next generation robotic process automation. Given the reasoning abilities within the current generation of LLMs, complex processes require a multi-step approach that includes a plan of well-defined and modular tasks. Depending on the level of complexity, these tasks can be executed either by a single agent or a group of agents. In this work, we focus on designing a flexible agent engineering framework with careful attention to planning and execution, capable of handling complex use case applications across various domains. The proposed framework provides reliability in industrial applications and presents techniques to ensure a scalable, flexible, and collaborative workflow for multiple autonomous agents working together towards solving tasks.

Single-cell RNA sequencing (scRNA-seq) data analysis is crucial for biological research, as it enables the precise characterization of cellular heterogeneity. However, manual manipulation of various tools to achieve desired outcomes can be labor-intensive for researchers. To address this, we introduce CellAgent (http://cell.agent4science.cn/), an LLM-driven multi-agent framework, specifically designed for the automatic processing and execution of scRNA-seq data analysis tasks, providing high-quality results with no human intervention. Firstly, to adapt general LLMs to the biological field, CellAgent constructs LLM-driven biological expert roles - planner, executor, and evaluator - each with specific responsibilities. Then, CellAgent introduces a hierarchical decision-making mechanism to coordinate these biological experts, effectively driving the planning and step-by-step execution of complex data analysis tasks. Furthermore, we propose a self-iterative optimization mechanism, enabling CellAgent to autonomously evaluate and optimize solutions, thereby guaranteeing output quality. We evaluate CellAgent on a comprehensive benchmark dataset encompassing dozens of tissues and hundreds of distinct cell types. Evaluation results consistently show that CellAgent effectively identifies the most suitable tools and hyperparameters for single-cell analysis tasks, achieving optimal performance. This automated framework dramatically reduces the workload for science data analyses, bringing us into the "Agent for Science" era.

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.

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.

Large language model (LLM)-driven agents are emerging as a powerful new paradigm for solving complex problems. Despite the empirical success of these practices, a theoretical framework to understand and unify their macroscopic dynamics remains lacking. This Letter proposes a method based on the least action principle to estimate the underlying generative directionality of LLMs embedded within agents. By experimentally measuring the transition probabilities between LLM-generated states, we statistically discover a detailed balance in LLM-generated transitions, indicating that LLM generation may not be achieved by generally learning rule sets and strategies, but rather by implicitly learning a class of underlying potential functions that may transcend different LLM architectures and prompt templates. To our knowledge, this is the first discovery of a macroscopic physical law in LLM generative dynamics that does not depend on specific model details. This work is an attempt to establish a macroscopic dynamics theory of complex AI systems, aiming to elevate the study of AI agents from a collection of engineering practices to a science built on effective measurements that are predictable and quantifiable.

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.

The current work addresses a virtual environment with self-replicating agents whose decisions are based on a form of "somatic computation" (soma - body) in which basic emotional responses, taken in parallelism to actual living organisms, are introduced as a way to provide the agents with greater reflexive abilities. The work provides a contribution to the field of Artificial Intelligence (AI) and Artificial Life (ALife) in connection to a neurobiology-based cognitive framework for artificial systems and virtual environments' simulations. The performance of the agents capable of emotional responses is compared with that of self-replicating automata, and the implications of research on emotions and AI, in connection to both virtual agents as well as robots, is addressed regarding possible future directions and applications.

Although pre-trained language models encode generic knowledge beneficial for planning and control, they may fail to generate appropriate control policies for domain-specific tasks. Existing fine-tuning methods use human feedback to address this limitation, however, sourcing human feedback is labor intensive and costly. We present a fully automated approach to fine-tune pre-trained language models for applications in autonomous systems, bridging the gap between generic knowledge and domain-specific requirements while reducing cost. The method synthesizes automaton-based controllers from pre-trained models guided by natural language task descriptions. These controllers are verifiable against independently provided specifications within a world model, which can be abstract or obtained from a high-fidelity simulator. Controllers with high compliance with the desired specifications receive higher ranks, guiding the iterative fine-tuning process. We provide quantitative evidences, primarily in autonomous driving, to demonstrate the method's effectiveness across multiple tasks. The results indicate an improvement in percentage of specifications satisfied by the controller from 60% to 90%.

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents' ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions n, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as n increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed "agentless" harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment .

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

We present APT, an advanced Large Language Model (LLM)-driven framework that enables autonomous agents to construct complex and creative structures within the Minecraft environment. Unlike previous approaches that primarily concentrate on skill-based open-world tasks or rely on image-based diffusion models for generating voxel-based structures, our method leverages the intrinsic spatial reasoning capabilities of LLMs. By employing chain-of-thought decomposition along with multimodal inputs, the framework generates detailed architectural layouts and blueprints that the agent can execute under zero-shot or few-shot learning scenarios. Our agent incorporates both memory and reflection modules to facilitate lifelong learning, adaptive refinement, and error correction throughout the building process. To rigorously evaluate the agent's performance in this emerging research area, we introduce a comprehensive benchmark consisting of diverse construction tasks designed to test creativity, spatial reasoning, adherence to in-game rules, and the effective integration of multimodal instructions. Experimental results using various GPT-based LLM backends and agent configurations demonstrate the agent's capacity to accurately interpret extensive instructions involving numerous items, their positions, and orientations. The agent successfully produces complex structures complete with internal functionalities such as Redstone-powered systems. A/B testing indicates that the inclusion of a memory module leads to a significant increase in performance, emphasizing its role in enabling continuous learning and the reuse of accumulated experience. Additionally, the agent's unexpected emergence of scaffolding behavior highlights the potential of future LLM-driven agents to utilize subroutine planning and leverage the emergence ability of LLMs to autonomously develop human-like problem-solving techniques.

In this paper, we introduce a simulacrum of hospital called Agent Hospital that simulates the entire process of treating illness. All patients, nurses, and doctors are autonomous agents powered by large language models (LLMs). Our central goal is to enable a doctor agent to learn how to treat illness within the simulacrum. To do so, we propose a method called MedAgent-Zero. As the simulacrum can simulate disease onset and progression based on knowledge bases and LLMs, doctor agents can keep accumulating experience from both successful and unsuccessful cases. Simulation experiments show that the treatment performance of doctor agents consistently improves on various tasks. More interestingly, the knowledge the doctor agents have acquired in Agent Hospital is applicable to real-world medicare benchmarks. After treating around ten thousand patients (real-world doctors may take over two years), the evolved doctor agent achieves a state-of-the-art accuracy of 93.06% on a subset of the MedQA dataset that covers major respiratory diseases. This work paves the way for advancing the applications of LLM-powered agent techniques in medical scenarios.

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

Humans learn to master open-ended repertoires of skills by imagining and practicing their own goals. This autotelic learning process, literally the pursuit of self-generated (auto) goals (telos), becomes more and more open-ended as the goals become more diverse, abstract and creative. The resulting exploration of the space of possible skills is supported by an inter-individual exploration: goal representations are culturally evolved and transmitted across individuals, in particular using language. Current artificial agents mostly rely on predefined goal representations corresponding to goal spaces that are either bounded (e.g. list of instructions), or unbounded (e.g. the space of possible visual inputs) but are rarely endowed with the ability to reshape their goal representations, to form new abstractions or to imagine creative goals. In this paper, we introduce a language model augmented autotelic agent (LMA3) that leverages a pretrained language model (LM) to support the representation, generation and learning of diverse, abstract, human-relevant goals. The LM is used as an imperfect model of human cultural transmission; an attempt to capture aspects of humans' common-sense, intuitive physics and overall interests. Specifically, it supports three key components of the autotelic architecture: 1)~a relabeler that describes the goals achieved in the agent's trajectories, 2)~a goal generator that suggests new high-level goals along with their decomposition into subgoals the agent already masters, and 3)~reward functions for each of these goals. Without relying on any hand-coded goal representations, reward functions or curriculum, we show that LMA3 agents learn to master a large diversity of skills in a task-agnostic text-based environment.

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

Symbolic world modeling requires inferring and representing an environment's transitional dynamics as an executable program. Prior work has focused on largely deterministic environments with abundant interaction data, simple mechanics, and human guidance. We address a more realistic and challenging setting, learning in a complex, stochastic environment where the agent has only "one life" to explore a hostile environment without human guidance. We introduce OneLife, a framework that models world dynamics through conditionally-activated programmatic laws within a probabilistic programming framework. Each law operates through a precondition-effect structure, activating in relevant world states. This creates a dynamic computation graph that routes inference and optimization only through relevant laws, avoiding scaling challenges when all laws contribute to predictions about a complex, hierarchical state, and enabling the learning of stochastic dynamics even with sparse rule activation. To evaluate our approach under these demanding constraints, we introduce a new evaluation protocol that measures (a) state ranking, the ability to distinguish plausible future states from implausible ones, and (b) state fidelity, the ability to generate future states that closely resemble reality. We develop and evaluate our framework on Crafter-OO, our reimplementation of the Crafter environment that exposes a structured, object-oriented symbolic state and a pure transition function that operates on that state alone. OneLife can successfully learn key environment dynamics from minimal, unguided interaction, outperforming a strong baseline on 16 out of 23 scenarios tested. We also test OneLife's planning ability, with simulated rollouts successfully identifying superior strategies. Our work establishes a foundation for autonomously constructing programmatic world models of unknown, complex environments.

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

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited adaptability to dynamic lab conditions, inadequate error handling, and high operational complexity. Here we introduce BioMARS (Biological Multi-Agent Robotic System), an intelligent platform that integrates LLMs, VLMs, and modular robotics to autonomously design, plan, and execute biological experiments. BioMARS uses a hierarchical architecture: the Biologist Agent synthesizes protocols via retrieval-augmented generation; the Technician Agent translates them into executable robotic pseudo-code; and the Inspector Agent ensures procedural integrity through multimodal perception and anomaly detection. The system autonomously conducts cell passaging and culture tasks, matching or exceeding manual performance in viability, consistency, and morphological integrity. It also supports context-aware optimization, outperforming conventional strategies in differentiating retinal pigment epithelial cells. A web interface enables real-time human-AI collaboration, while a modular backend allows scalable integration with laboratory hardware. These results highlight the feasibility of generalizable, AI-driven laboratory automation and the transformative role of language-based reasoning in biological research.

Lattice-based planning techniques simplify the motion planning problem for autonomous vehicles by limiting available motions to a pre-computed set of primitives. These primitives are then combined online to generate more complex maneuvers. A set of motion primitives t-span a lattice if, given a real number t at least 1, any configuration in the lattice can be reached via a sequence of motion primitives whose cost is no more than a factor of t from optimal. Computing a minimal t-spanning set balances a trade-off between computed motion quality and motion planning performance. In this work, we formulate this problem for an arbitrary lattice as a mixed integer linear program. We also propose an A*-based algorithm to solve the motion planning problem using these primitives. Finally, we present an algorithm that removes the excessive oscillations from planned motions -- a common problem in lattice-based planning. Our method is validated for autonomous driving in both parking lot and highway scenarios.

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently, based on the development of using one LLM as a single planning or decision-making agent, LLM-based multi-agent systems have achieved considerable progress in complex problem-solving and world simulation. To provide the community with an overview of this dynamic field, we present this survey to offer an in-depth discussion on the essential aspects of multi-agent systems based on LLMs, as well as the challenges. Our goal is for readers to gain substantial insights on the following questions: What domains and environments do LLM-based multi-agents simulate? How are these agents profiled and how do they communicate? What mechanisms contribute to the growth of agents' capacities? For those interested in delving into this field of study, we also summarize the commonly used datasets or benchmarks for them to have convenient access. To keep researchers updated on the latest studies, we maintain an open-source GitHub repository, dedicated to outlining the research on LLM-based multi-agent systems.

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.

Large Language Models (LLMs) show potential for complex reasoning, yet their capacity for emergent coordination in Multi-Agent Systems (MAS) when operating under strict constraints-such as limited local perception and communication, characteristic of natural swarms-remains largely unexplored, particularly concerning the nuances of swarm intelligence. Existing benchmarks often do not fully capture the unique challenges of decentralized coordination that arise when agents operate with incomplete spatio-temporal information. To bridge this gap, we introduce SwarmBench, a novel benchmark designed to systematically evaluate the swarm intelligence capabilities of LLMs acting as decentralized agents. SwarmBench features five foundational MAS coordination tasks within a configurable 2D grid environment, forcing agents to rely primarily on local sensory input (k x k view) and local communication. We propose metrics for coordination effectiveness and analyze emergent group dynamics. Evaluating several leading LLMs in a zero-shot setting, we find significant performance variations across tasks, highlighting the difficulties posed by local information constraints. While some coordination emerges, results indicate limitations in robust planning and strategy formation under uncertainty in these decentralized scenarios. Assessing LLMs under swarm-like conditions is crucial for realizing their potential in future decentralized systems. We release SwarmBench as an open, extensible toolkit-built upon a customizable and scalable physical system with defined mechanical properties. It provides environments, prompts, evaluation scripts, and the comprehensive experimental datasets generated, aiming to foster reproducible research into LLM-based MAS coordination and the theoretical underpinnings of Embodied MAS. Our code repository is available at https://github.com/x66ccff/swarmbench.

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

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

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

We propose an agent architecture that automates parts of the common reinforcement learning experiment workflow, to enable automated mastery of control domains for embodied agents. To do so, it leverages a VLM to perform some of the capabilities normally required of a human experimenter, including the monitoring and analysis of experiment progress, the proposition of new tasks based on past successes and failures of the agent, decomposing tasks into a sequence of subtasks (skills), and retrieval of the skill to execute - enabling our system to build automated curricula for learning. We believe this is one of the first proposals for a system that leverages a VLM throughout the full experiment cycle of reinforcement learning. We provide a first prototype of this system, and examine the feasibility of current models and techniques for the desired level of automation. For this, we use a standard Gemini model, without additional fine-tuning, to provide a curriculum of skills to a language-conditioned Actor-Critic algorithm, in order to steer data collection so as to aid learning new skills. Data collected in this way is shown to be useful for learning and iteratively improving control policies in a robotics domain. Additional examination of the ability of the system to build a growing library of skills, and to judge the progress of the training of those skills, also shows promising results, suggesting that the proposed architecture provides a potential recipe for fully automated mastery of tasks and domains for embodied agents.

Large language models (LLMs) are increasingly being used to evolve solutions to problems in many domains, in a process inspired by biological evolution. However, unlike biological evolution, most LLM-evolution frameworks are formulated as static optimization problems, overlooking the open-ended adversarial dynamics that characterize real-world evolutionary processes. Here, we study Digital Red Queen (DRQ), a simple self-play algorithm that embraces these so-called "Red Queen" dynamics via continual adaptation to a changing objective. DRQ uses an LLM to evolve assembly-like programs, called warriors, which compete against each other for control of a virtual machine in the game of Core War, a Turing-complete environment studied in artificial life and connected to cybersecurity. In each round of DRQ, the model evolves a new warrior to defeat all previous ones, producing a sequence of adapted warriors. Over many rounds, we observe that warriors become increasingly general (relative to a set of held-out human warriors). Interestingly, warriors also become less behaviorally diverse across independent runs, indicating a convergence pressure toward a general-purpose behavioral strategy, much like convergent evolution in nature. This result highlights a potential value of shifting from static objectives to dynamic Red Queen objectives. Our work positions Core War as a rich, controllable sandbox for studying adversarial adaptation in artificial systems and for evaluating LLM-based evolution methods. More broadly, the simplicity and effectiveness of DRQ suggest that similarly minimal self-play approaches could prove useful in other more practical multi-agent adversarial domains, like real-world cybersecurity or combating drug resistance.

The past years have seen Large Language Models (LLMs) strive not only as generative models but also as agents solving textual sequential decision-making tasks. When facing complex environments where their zero-shot abilities are insufficient, recent work showed online Reinforcement Learning (RL) could be used for the LLM agent to discover and learn efficient strategies interactively. However, most prior work sticks to on-policy algorithms, which greatly reduces the scope of methods such agents could use for both exploration and exploitation, such as experience replay and hindsight relabeling. Yet, such methods may be key for LLM learning agents, and in particular when designing autonomous intrinsically motivated agents sampling and pursuing their own goals (i.e. autotelic agents). This paper presents and studies an adaptation of Soft Actor-Critic and hindsight relabeling to LLM agents. Our method not only paves the path towards autotelic LLM agents that learn online but can also outperform on-policy methods in more classic multi-goal RL environments.

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

Large language models (LLMs) and emerging agentic frameworks are beginning to transform single-cell biology by enabling natural-language reasoning, generative annotation, and multimodal data integration. However, progress remains fragmented across data modalities, architectures, and evaluation standards. LLM4Cell presents the first unified survey of 58 foundation and agentic models developed for single-cell research, spanning RNA, ATAC, multi-omic, and spatial modalities. We categorize these methods into five families-foundation, text-bridge, spatial, multimodal, epigenomic, and agentic-and map them to eight key analytical tasks including annotation, trajectory and perturbation modeling, and drug-response prediction. Drawing on over 40 public datasets, we analyze benchmark suitability, data diversity, and ethical or scalability constraints, and evaluate models across 10 domain dimensions covering biological grounding, multi-omics alignment, fairness, privacy, and explainability. By linking datasets, models, and evaluation domains, LLM4Cell provides the first integrated view of language-driven single-cell intelligence and outlines open challenges in interpretability, standardization, and trustworthy model development.

The prototyping of computer games, particularly card games, requires extensive human effort in creative ideation and gameplay evaluation. Recent advances in Large Language Models (LLMs) offer opportunities to automate and streamline these processes. However, it remains challenging for LLMs to design novel game mechanics beyond existing databases, generate consistent gameplay environments, and develop scalable gameplay AI for large-scale evaluations. This paper addresses these challenges by introducing a comprehensive automated card game prototyping framework. The approach highlights a graph-based indexing method for generating novel game designs, an LLM-driven system for consistent game code generation validated by gameplay records, and a gameplay AI constructing method that uses an ensemble of LLM-generated action-value functions optimized through self-play. These contributions aim to accelerate card game prototyping, reduce human labor, and lower barriers to entry for game developers.

Large language models (LLMs) have enabled remarkable advances in automated task-solving with multi-agent systems. However, most existing LLM-based multi-agent approaches rely on predefined agents to handle simple tasks, limiting the adaptability of multi-agent collaboration to different scenarios. Therefore, we introduce AutoAgents, an innovative framework that adaptively generates and coordinates multiple specialized agents to build an AI team according to different tasks. Specifically, AutoAgents couples the relationship between tasks and roles by dynamically generating multiple required agents based on task content and planning solutions for the current task based on the generated expert agents. Multiple specialized agents collaborate with each other to efficiently accomplish tasks. Concurrently, an observer role is incorporated into the framework to reflect on the designated plans and agents' responses and improve upon them. Our experiments on various benchmarks demonstrate that AutoAgents generates more coherent and accurate solutions than the existing multi-agent methods. This underscores the significance of assigning different roles to different tasks and of team cooperation, offering new perspectives for tackling complex tasks. The repository of this project is available at https://github.com/Link-AGI/AutoAgents.

We introduce the Block-Recurrent Transformer, which applies a transformer layer in a recurrent fashion along a sequence, and has linear complexity with respect to sequence length. Our recurrent cell operates on blocks of tokens rather than single tokens during training, and leverages parallel computation within a block in order to make efficient use of accelerator hardware. The cell itself is strikingly simple. It is merely a transformer layer: it uses self-attention and cross-attention to efficiently compute a recurrent function over a large set of state vectors and tokens. Our design was inspired in part by LSTM cells, and it uses LSTM-style gates, but it scales the typical LSTM cell up by several orders of magnitude. Our implementation of recurrence has the same cost in both computation time and parameter count as a conventional transformer layer, but offers dramatically improved perplexity in language modeling tasks over very long sequences. Our model out-performs a long-range Transformer XL baseline by a wide margin, while running twice as fast. We demonstrate its effectiveness on PG19 (books), arXiv papers, and GitHub source code. Our code has been released as open source.

Existing Large Language Models (LLM) can invoke a variety of tools and APIs to complete complex tasks. The computer, as the most powerful and universal tool, could potentially be controlled directly by a trained LLM agent. Powered by the computer, we can hopefully build a more generalized agent to assist humans in various daily digital works. In this paper, we construct an environment for a Vision Language Model (VLM) agent to interact with a real computer screen. Within this environment, the agent can observe screenshots and manipulate the Graphics User Interface (GUI) by outputting mouse and keyboard actions. We also design an automated control pipeline that includes planning, acting, and reflecting phases, guiding the agent to continuously interact with the environment and complete multi-step tasks. Additionally, we construct the ScreenAgent Dataset, which collects screenshots and action sequences when completing a variety of daily computer tasks. Finally, we trained a model, ScreenAgent, which achieved computer control capabilities comparable to GPT-4V and demonstrated more precise UI positioning capabilities. Our attempts could inspire further research on building a generalist LLM agent. The code is available at https://github.com/niuzaisheng/ScreenAgent.

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.

Building a virtual cell capable of accurately simulating cellular behaviors in silico has long been a dream in computational biology. We introduce CellFlux, an image-generative model that simulates cellular morphology changes induced by chemical and genetic perturbations using flow matching. Unlike prior methods, CellFlux models distribution-wise transformations from unperturbed to perturbed cell states, effectively distinguishing actual perturbation effects from experimental artifacts such as batch effects -- a major challenge in biological data. Evaluated on chemical (BBBC021), genetic (RxRx1), and combined perturbation (JUMP) datasets, CellFlux generates biologically meaningful cell images that faithfully capture perturbation-specific morphological changes, achieving a 35% improvement in FID scores and a 12% increase in mode-of-action prediction accuracy over existing methods. Additionally, CellFlux enables continuous interpolation between cellular states, providing a potential tool for studying perturbation dynamics. These capabilities mark a significant step toward realizing virtual cell modeling for biomedical research. Project page: https://yuhui-zh15.github.io/CellFlux/.

The advancement in generative AI could be boosted with more accessible mathematics. Beyond human-AI chat, large language models (LLMs) are emerging in programming, algorithm discovery, and theorem proving, yet their genomics application is limited. This project introduces Math Agents and mathematical embedding as fresh entries to the "Moore's Law of Mathematics", using a GPT-based workflow to convert equations from literature into LaTeX and Python formats. While many digital equation representations exist, there's a lack of automated large-scale evaluation tools. LLMs are pivotal as linguistic user interfaces, providing natural language access for human-AI chat and formal languages for large-scale AI-assisted computational infrastructure. Given the infinite formal possibility spaces, Math Agents, which interact with math, could potentially shift us from "big data" to "big math". Math, unlike the more flexible natural language, has properties subject to proof, enabling its use beyond traditional applications like high-validation math-certified icons for AI alignment aims. This project aims to use Math Agents and mathematical embeddings to address the ageing issue in information systems biology by applying multiscalar physics mathematics to disease models and genomic data. Generative AI with episodic memory could help analyse causal relations in longitudinal health records, using SIR Precision Health models. Genomic data is suggested for addressing the unsolved Alzheimer's disease problem.

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI collaboration. This survey systematically charts this burgeoning field, placing a central focus on the changing roles and escalating capabilities of LLMs in science. Through the lens of the scientific method, we introduce a foundational three-level taxonomy-Tool, Analyst, and Scientist-to delineate their escalating autonomy and evolving responsibilities within the research lifecycle. We further identify pivotal challenges and future research trajectories such as robotic automation, self-improvement, and ethical governance. Overall, this survey provides a conceptual architecture and strategic foresight to navigate and shape the future of AI-driven scientific discovery, fostering both rapid innovation and responsible advancement. Github Repository: https://github.com/HKUST-KnowComp/Awesome-LLM-Scientific-Discovery.

Large Language Models (LLMs) with chain-of-thought (COT) prompting have demonstrated impressive abilities on simple nature language inference tasks. However, they tend to perform poorly on Multi-hop Question Answering (MHQA) tasks due to several challenges, including hallucination, error propagation and limited context length. We propose a prompting method, Finite State Machine (FSM) to enhance the reasoning capabilities of LLM for complex tasks in addition to improved effectiveness and trustworthiness. Different from COT methods, FSM addresses MHQA by iteratively decomposing a question into multi-turn sub-questions, and self-correcting in time, improving the accuracy of answers in each step. Specifically, FSM addresses one sub-question at a time and decides on the next step based on its current result and state, in an automaton-like format. Experiments on benchmarks show the effectiveness of our method. Although our method performs on par with the baseline on relatively simpler datasets, it excels on challenging datasets like Musique. Moreover, this approach mitigates the hallucination phenomenon, wherein the correct final answer can be recovered despite errors in intermediate reasoning. Furthermore, our method improves LLMs' ability to follow specified output format requirements, significantly reducing the difficulty of answer interpretation and the need for reformatting.

The advent of large language models (LLMs) has catalyzed a transformative shift in artificial intelligence, paving the way for advanced intelligent agents capable of sophisticated reasoning, robust perception, and versatile action across diverse domains. As these agents increasingly drive AI research and practical applications, their design, evaluation, and continuous improvement present intricate, multifaceted challenges. This survey provides a comprehensive overview, framing intelligent agents within a modular, brain-inspired architecture that integrates principles from cognitive science, neuroscience, and computational research. We structure our exploration into four interconnected parts. First, we delve into the modular foundation of intelligent agents, systematically mapping their cognitive, perceptual, and operational modules onto analogous human brain functionalities, and elucidating core components such as memory, world modeling, reward processing, and emotion-like systems. Second, we discuss self-enhancement and adaptive evolution mechanisms, exploring how agents autonomously refine their capabilities, adapt to dynamic environments, and achieve continual learning through automated optimization paradigms, including emerging AutoML and LLM-driven optimization strategies. Third, we examine collaborative and evolutionary multi-agent systems, investigating the collective intelligence emerging from agent interactions, cooperation, and societal structures, highlighting parallels to human social dynamics. Finally, we address the critical imperative of building safe, secure, and beneficial AI systems, emphasizing intrinsic and extrinsic security threats, ethical alignment, robustness, and practical mitigation strategies necessary for trustworthy real-world deployment.

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

Writing competitive programming problems is exacting. Authors must: set constraints, input distributions, and edge cases that rule out shortcuts; target specific algorithms (e.g., max-flow, dynamic programming, data structures); and calibrate complexity beyond the reach of most competitors. We argue that this makes for an ideal test of general large language model capabilities and study whether they can do this reliably. We introduce AutoCode, which uses multiple rounds of validation to yield competition-grade problem statements and test cases. On held-out problems, AutoCode test suites approach 99% consistency with official judgments, a significant improvement over current state-of-the-art methods like HardTests, which achieve less than 81%. Furthermore, starting with a random seed problem, AutoCode can create novel variants with reference and brute-force solutions. By cross-verifying these generated solutions against test cases, we can further filter out malformed problems. Our system ensures high correctness, as verified by human experts. AutoCode successfully produces novel problems judged by Grandmaster-level (top 0.3%) competitive programmers to be of contest quality.

A generally intelligent agent must be able to teach itself how to solve problems in complex domains with minimal human supervision. Recently, deep reinforcement learning algorithms combined with self-play have achieved superhuman proficiency in Go, Chess, and Shogi without human data or domain knowledge. In these environments, a reward is always received at the end of the game, however, for many combinatorial optimization environments, rewards are sparse and episodes are not guaranteed to terminate. We introduce Autodidactic Iteration: a novel reinforcement learning algorithm that is able to teach itself how to solve the Rubik's Cube with no human assistance. Our algorithm is able to solve 100% of randomly scrambled cubes while achieving a median solve length of 30 moves -- less than or equal to solvers that employ human domain knowledge.

Multi-agent systems (MAS) utilizing multiple Large Language Model agents with Retrieval Augmented Generation and that can execute code locally may become beneficial in cosmological data analysis. Here, we illustrate a first small step towards AI-assisted analyses and a glimpse of the potential of MAS to automate and optimize scientific workflows in Cosmology. The system architecture of our example package, that builds upon the autogen/ag2 framework, can be applied to MAS in any area of quantitative scientific research. The particular task we apply our methods to is the cosmological parameter analysis of the Atacama Cosmology Telescope lensing power spectrum likelihood using Monte Carlo Markov Chains. Our work-in-progress code is open source and available at https://github.com/CMBAgents/cmbagent.

Autoformalization is the process of automatically translating from natural language mathematics to formal specifications and proofs. A successful autoformalization system could advance the fields of formal verification, program synthesis, and artificial intelligence. While the long-term goal of autoformalization seemed elusive for a long time, we show large language models provide new prospects towards this goal. We make the surprising observation that LLMs can correctly translate a significant portion (25.3%) of mathematical competition problems perfectly to formal specifications in Isabelle/HOL. We demonstrate the usefulness of this process by improving a previously introduced neural theorem prover via training on these autoformalized theorems. Our methodology results in a new state-of-the-art result on the MiniF2F theorem proving benchmark, improving the proof rate from 29.6% to 35.2%.

This technical report presents AutoGen, a new framework that enables development of LLM applications using multiple agents that can converse with each other to solve tasks. AutoGen agents are customizable, conversable, and seamlessly allow human participation. They can operate in various modes that employ combinations of LLMs, human inputs, and tools. AutoGen's design offers multiple advantages: a) it gracefully navigates the strong but imperfect generation and reasoning abilities of these LLMs; b) it leverages human understanding and intelligence, while providing valuable automation through conversations between agents; c) it simplifies and unifies the implementation of complex LLM workflows as automated agent chats. We provide many diverse examples of how developers can easily use AutoGen to effectively solve tasks or build applications, ranging from coding, mathematics, operations research, entertainment, online decision-making, question answering, etc.

The emergence of large language models (LLMs) is propelling automated scientific discovery to the next level, with LLM-based Artificial Intelligence (AI) Scientist systems now taking the lead in scientific research. Several influential works have already appeared in the field of AI Scientist systems, with AI-generated research papers having been accepted at the ICLR 2025 workshop, suggesting that a human-level AI Scientist capable of uncovering phenomena previously unknown to humans, may soon become a reality. In this survey, we focus on the central question: How far are AI scientists from changing the world and reshaping the scientific research paradigm? To answer this question, we provide a prospect-driven review that comprehensively analyzes the current achievements of AI Scientist systems, identifying key bottlenecks and the critical components required for the emergence of a scientific agent capable of producing ground-breaking discoveries that solve grand challenges. We hope this survey will contribute to a clearer understanding of limitations of current AI Scientist systems, showing where we are, what is missing, and what the ultimate goals for scientific AI should be.

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

Playing games has a long history of describing intricate interactions in simplified forms. In this paper we explore if large language models (LLMs) can play games, investigating their capabilities for randomisation and strategic adaptation through both simultaneous and sequential game interactions. We focus on GPT-4o-Mini-2024-08-17 and test two games between LLMs: Rock Paper Scissors (RPS) and games of strategy (Prisoners Dilemma PD). LLMs are often described as stochastic parrots, and while they may indeed be parrots, our results suggest that they are not very stochastic in the sense that their outputs - when prompted to be random - are often very biased. Our research reveals that LLMs appear to develop loss aversion strategies in repeated games, with RPS converging to stalemate conditions while PD shows systematic shifts between cooperative and competitive outcomes based on prompt design. We detail programmatic tools for independent agent interactions and the Agentic AI challenges faced in implementation. We show that LLMs can indeed play games, just not very well. These results have implications for the use of LLMs in multi-agent LLM systems and showcase limitations in current approaches to model output for strategic decision-making.

Large language models (LLMs) face challenges in solving complex mathematical problems that require comprehensive capacities to parse the statements, associate domain knowledge, perform compound logical reasoning, and integrate the intermediate rationales. Tackling all these problems once could be arduous for LLMs, thus leading to confusion in generation. In this work, we explore the potential of enhancing LLMs with agents by meticulous decomposition and modeling of mathematical reasoning process. Specifically, we propose a formal description of the mathematical solving and extend LLMs with an agent-based zero-shot framework named Planner-Reasoner-Executor-Reflector (PRER). We further provide and implement two MathAgents that define the logical forms and inherent relations via a pool of actions in different grains and orientations: MathAgent-M adapts its actions to LLMs, while MathAgent-H aligns with humankind. Experiments on miniF2F and MATH have demonstrated the effectiveness of PRER and proposed MathAgents, achieving an increase of 12.3%(53.9%66.2%) on the MiniF2F, 9.2% (49.8%59.0%) on MATH, and 13.2%(23.2%35.4%) for level-5 problems of MATH against GPT-4. Further analytical results provide more insightful perspectives on exploiting the behaviors of LLMs as agents.

This paper reviews the architecture and implementation methods of agents powered by large language models (LLMs). Motivated by the limitations of traditional LLMs in real-world tasks, the research aims to explore patterns to develop "agentic" LLMs that can automate complex tasks and bridge the performance gap with human capabilities. Key components include a perception system that converts environmental percepts into meaningful representations; a reasoning system that formulates plans, adapts to feedback, and evaluates actions through different techniques like Chain-of-Thought and Tree-of-Thought; a memory system that retains knowledge through both short-term and long-term mechanisms; and an execution system that translates internal decisions into concrete actions. This paper shows how integrating these systems leads to more capable and generalized software bots that mimic human cognitive processes for autonomous and intelligent behavior.

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges significantly from human learning processes, and thus makes the agents hard to achieve human-like decisions. Recently, through the acquisition of vast amounts of web knowledge, large language models (LLMs) have demonstrated remarkable potential in achieving human-level intelligence. This has sparked an upsurge in studies investigating LLM-based autonomous agents. In this paper, we present a comprehensive survey of these studies, delivering a systematic review of the field of LLM-based autonomous agents from a holistic perspective. More specifically, we first discuss the construction of LLM-based autonomous agents, for which we propose a unified framework that encompasses a majority of the previous work. Then, we present a comprehensive overview of the diverse applications of LLM-based autonomous agents in the fields of social science, natural science, and engineering. Finally, we delve into the evaluation strategies commonly used for LLM-based autonomous agents. Based on the previous studies, we also present several challenges and future directions in this field. To keep track of this field and continuously update our survey, we maintain a repository of relevant references at https://github.com/Paitesanshi/LLM-Agent-Survey.

Traditional sociological research often relies on human participation, which, though effective, is expensive, challenging to scale, and with ethical concerns. Recent advancements in large language models (LLMs) highlight their potential to simulate human behavior, enabling the replication of individual responses and facilitating studies on many interdisciplinary studies. In this paper, we conduct a comprehensive survey of this field, illustrating the recent progress in simulation driven by LLM-empowered agents. We categorize the simulations into three types: (1) Individual Simulation, which mimics specific individuals or demographic groups; (2) Scenario Simulation, where multiple agents collaborate to achieve goals within specific contexts; and (3) Society Simulation, which models interactions within agent societies to reflect the complexity and variety of real-world dynamics. These simulations follow a progression, ranging from detailed individual modeling to large-scale societal phenomena. We provide a detailed discussion of each simulation type, including the architecture or key components of the simulation, the classification of objectives or scenarios and the evaluation method. Afterward, we summarize commonly used datasets and benchmarks. Finally, we discuss the trends across these three types of simulation. A repository for the related sources is at {https://github.com/FudanDISC/SocialAgent}.

AI Agent, powered by large language models (LLMs) as its cognitive core, is an intelligent agentic system capable of autonomously controlling and determining the execution paths under user's instructions. With the burst of capabilities of LLMs and various plugins, such as RAG, text-to-image/video/3D, etc., the potential of AI Agents has been vastly expanded, with their capabilities growing stronger by the day. However, at the intersection between AI and web3, there is currently no ideal agentic framework that can seamlessly integrate web3 applications into AI agent functionalities. In this paper, we propose Eliza, the first open-source web3-friendly Agentic framework that makes the deployment of web3 applications effortless. We emphasize that every aspect of Eliza is a regular Typescript program under the full control of its user, and it seamlessly integrates with web3 (i.e., reading and writing blockchain data, interacting with smart contracts, etc.). Furthermore, we show how stable performance is achieved through the pragmatic implementation of the key components of Eliza's runtime. Our code is publicly available at https://github.com/ai16z/eliza.

We present AutoGLM, a new series in the ChatGLM family, designed to serve as foundation agents for autonomous control of digital devices through Graphical User Interfaces (GUIs). While foundation models excel at acquiring human knowledge, they often struggle with decision-making in dynamic real-world environments, limiting their progress toward artificial general intelligence. This limitation underscores the importance of developing foundation agents capable of learning through autonomous environmental interactions by reinforcing existing models. Focusing on Web Browser and Phone as representative GUI scenarios, we have developed AutoGLM as a practical foundation agent system for real-world GUI interactions. Our approach integrates a comprehensive suite of techniques and infrastructures to create deployable agent systems suitable for user delivery. Through this development, we have derived two key insights: First, the design of an appropriate "intermediate interface" for GUI control is crucial, enabling the separation of planning and grounding behaviors, which require distinct optimization for flexibility and accuracy respectively. Second, we have developed a novel progressive training framework that enables self-evolving online curriculum reinforcement learning for AutoGLM. Our evaluations demonstrate AutoGLM's effectiveness across multiple domains. For web browsing, AutoGLM achieves a 55.2% success rate on VAB-WebArena-Lite (improving to 59.1% with a second attempt) and 96.2% on OpenTable evaluation tasks. In Android device control, AutoGLM attains a 36.2% success rate on AndroidLab (VAB-Mobile) and 89.7% on common tasks in popular Chinese APPs.

Virtual cell modeling represents an emerging frontier at the intersection of artificial intelligence and biology, aiming to predict quantities such as responses to diverse perturbations quantitatively. However, autonomously building computational models for virtual cells is challenging due to the complexity of biological systems, the heterogeneity of data modalities, and the need for domain-specific expertise across multiple disciplines. Here, we introduce CellForge, an agentic system that leverages a multi-agent framework that transforms presented biological datasets and research objectives directly into optimized computational models for virtual cells. More specifically, given only raw single-cell multi-omics data and task descriptions as input, CellForge outputs both an optimized model architecture and executable code for training virtual cell models and inference. The framework integrates three core modules: Task Analysis for presented dataset characterization and relevant literature retrieval, Method Design, where specialized agents collaboratively develop optimized modeling strategies, and Experiment Execution for automated generation of code. The agents in the Design module are separated into experts with differing perspectives and a central moderator, and have to collaboratively exchange solutions until they achieve a reasonable consensus. We demonstrate CellForge's capabilities in single-cell perturbation prediction, using six diverse datasets that encompass gene knockouts, drug treatments, and cytokine stimulations across multiple modalities. CellForge consistently outperforms task-specific state-of-the-art methods. Overall, CellForge demonstrates how iterative interaction between LLM agents with differing perspectives provides better solutions than directly addressing a modeling challenge. Our code is publicly available at https://github.com/gersteinlab/CellForge.

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic combination of LLM-based reasoning and large-scale evolutionary search to address complex real-world challenges. The core of FM Agent integrates several key innovations: 1) a cold-start initialization phase incorporating expert guidance, 2) a novel evolutionary sampling strategy for iterative optimization, 3) domain-specific evaluators that combine correctness, effectiveness, and LLM-supervised feedback, and 4) a distributed, asynchronous execution infrastructure built on Ray. Demonstrating broad applicability, our system has been evaluated across diverse domains, including operations research, machine learning, GPU kernel optimization, and classical mathematical problems. FM Agent reaches state-of-the-art results autonomously, without human interpretation or tuning -- 1976.3 on ALE-Bench (+5.2\%), 43.56\% on MLE-Bench (+4.0pp), up to 20x speedups on KernelBench, and establishes new state-of-the-art(SOTA) results on several classical mathematical problems. Beyond academic benchmarks, FM Agent shows considerable promise for both large-scale enterprise R\&D workflows and fundamental scientific research, where it can accelerate innovation, automate complex discovery processes, and deliver substantial engineering and scientific advances with broader societal impact.

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

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential to accelerate scientific discovery through automation. We also review LLM-based autonomous agents: LLMs with a broader set of tools to interact with their surrounding environment. These agents perform diverse tasks such as paper scraping, interfacing with automated laboratories, and synthesis planning. As agents are an emerging topic, we extend the scope of our review of agents beyond chemistry and discuss across any scientific domains. This review covers the recent history, current capabilities, and design of LLMs and autonomous agents, addressing specific challenges, opportunities, and future directions in chemistry. Key challenges include data quality and integration, model interpretability, and the need for standard benchmarks, while future directions point towards more sophisticated multi-modal agents and enhanced collaboration between agents and experimental methods. Due to the quick pace of this field, a repository has been built to keep track of the latest studies: https://github.com/ur-whitelab/LLMs-in-science.

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.

We study the emergence of agency from scratch by using Large Language Model (LLM)-based agents. In previous studies of LLM-based agents, each agent's characteristics, including personality and memory, have traditionally been predefined. We focused on how individuality, such as behavior, personality, and memory, can be differentiated from an undifferentiated state. The present LLM agents engage in cooperative communication within a group simulation, exchanging context-based messages in natural language. By analyzing this multi-agent simulation, we report valuable new insights into how social norms, cooperation, and personality traits can emerge spontaneously. This paper demonstrates that autonomously interacting LLM-powered agents generate hallucinations and hashtags to sustain communication, which, in turn, increases the diversity of words within their interactions. Each agent's emotions shift through communication, and as they form communities, the personalities of the agents emerge and evolve accordingly. This computational modeling approach and its findings will provide a new method for analyzing collective artificial intelligence.

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.

The advent of single-cell technology has significantly improved our understanding of cellular states and subpopulations in various tissues under normal and diseased conditions by employing data-driven approaches such as clustering and trajectory inference. However, these methods consider cells as independent data points of population distributions. With spatial transcriptomics, we can represent cellular organization, along with dynamic cell-cell interactions that lead to changes in cell state. Still, key computational advances are necessary to enable the data-driven learning of such complex interactive cellular dynamics. While agent-based modeling (ABM) provides a powerful framework, traditional approaches rely on handcrafted rules derived from domain knowledge rather than data-driven approaches. To address this, we introduce Spatio Temporal Agent-Based Graph Evolution Dynamics(STAGED) integrating ABM with deep learning to model intercellular communication, and its effect on the intracellular gene regulatory network. Using graph ODE networks (GDEs) with shared weights per cell type, our approach represents genes as vertices and interactions as directed edges, dynamically learning their strengths through a designed attention mechanism. Trained to match continuous trajectories of simulated as well as inferred trajectories from spatial transcriptomics data, the model captures both intercellular and intracellular interactions, enabling a more adaptive and accurate representation of cellular dynamics.

Autonomous agents powered by large language models (LLMs) have attracted significant research interest. However, the open-source community faces many challenges in developing specialized models for agent tasks, driven by the scarcity of high-quality agent datasets and the absence of standard protocols in this area. We introduce and publicly release xLAM, a series of large action models designed for AI agent tasks. The xLAM series includes five models with both dense and mixture-of-expert architectures, ranging from 1B to 8x22B parameters, trained using a scalable, flexible pipeline that unifies, augments, and synthesizes diverse datasets to enhance AI agents' generalizability and performance across varied environments. Our experimental results demonstrate that xLAM consistently delivers exceptional performance across multiple agent ability benchmarks, notably securing the 1st position on the Berkeley Function-Calling Leaderboard, outperforming GPT-4, Claude-3, and many other models in terms of tool use. By releasing the xLAM series, we aim to advance the performance of open-source LLMs for autonomous AI agents, potentially accelerating progress and democratizing access to high-performance models for agent tasks. Models are available at https://huggingface.co/collections/Salesforce/xlam-models-65f00e2a0a63bbcd1c2dade4

Large language models (LLMs) have enabled powerful advances in natural language understanding and generation. Yet their application to complex, real-world scientific workflows remain limited by challenges in memory, planning, and tool integration. Here, we introduce SciBORG (Scientific Bespoke Artificial Intelligence Agents Optimized for Research Goals), a modular agentic framework that allows LLM-based agents to autonomously plan, reason, and achieve robust and reliable domain-specific task execution. Agents are constructed dynamically from source code documentation and augmented with finite-state automata (FSA) memory, enabling persistent state tracking and context-aware decision-making. This approach eliminates the need for manual prompt engineering and allows for robust, scalable deployment across diverse applications via maintaining context across extended workflows and to recover from tool or execution failures. We validate SciBORG through integration with both physical and virtual hardware, such as microwave synthesizers for executing user-specified reactions, with context-aware decision making and demonstrate its use in autonomous multi-step bioassay retrieval from the PubChem database utilizing multi-step planning, reasoning, agent-to-agent communication and coordination for execution of exploratory tasks. Systematic benchmarking shows that SciBORG agents achieve reliable execution, adaptive planning, and interpretable state transitions. Our results show that memory and state awareness are critical enablers of agentic planning and reliability, offering a generalizable foundation for deploying AI agents in complex environments.

Spreadsheets are widely recognized as the most popular end-user programming tools, which blend the power of formula-based computation, with an intuitive table-based interface. Today, spreadsheets are used by billions of users to manipulate tables, most of whom are neither database experts nor professional programmers. Despite the success of spreadsheets, authoring complex formulas remains challenging, as non-technical users need to look up and understand non-trivial formula syntax. To address this pain point, we leverage the observation that there is often an abundance of similar-looking spreadsheets in the same organization, which not only have similar data, but also share similar computation logic encoded as formulas. We develop an Auto-Formula system that can accurately predict formulas that users want to author in a target spreadsheet cell, by learning and adapting formulas that already exist in similar spreadsheets, using contrastive-learning techniques inspired by "similar-face recognition" from compute vision. Extensive evaluations on over 2K test formulas extracted from real enterprise spreadsheets show the effectiveness of Auto-Formula over alternatives. Our benchmark data is available at https://github.com/microsoft/Auto-Formula to facilitate future research.

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

Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems.

The recent success of Large Language Models (LLMs) signifies an impressive stride towards artificial general intelligence. They have shown a promising prospect in automatically completing tasks upon user instructions, functioning as brain-like coordinators. The associated risks will be revealed as we delegate an increasing number of tasks to machines for automated completion. A big question emerges: how can we make machines behave responsibly when helping humans automate tasks as personal copilots? In this paper, we explore this question in depth from the perspectives of feasibility, completeness and security. In specific, we present Responsible Task Automation (ResponsibleTA) as a fundamental framework to facilitate responsible collaboration between LLM-based coordinators and executors for task automation with three empowered capabilities: 1) predicting the feasibility of the commands for executors; 2) verifying the completeness of executors; 3) enhancing the security (e.g., the protection of users' privacy). We further propose and compare two paradigms for implementing the first two capabilities. One is to leverage the generic knowledge of LLMs themselves via prompt engineering while the other is to adopt domain-specific learnable models. Moreover, we introduce a local memory mechanism for achieving the third capability. We evaluate our proposed ResponsibleTA on UI task automation and hope it could bring more attentions to ensuring LLMs more responsible in diverse scenarios. The research project homepage is at https://task-automation-research.github.io/responsible_task_automation.

Achieving human-like planning and control with multimodal observations in an open world is a key milestone for more functional generalist agents. Existing approaches can handle certain long-horizon tasks in an open world. However, they still struggle when the number of open-world tasks could potentially be infinite and lack the capability to progressively enhance task completion as game time progresses. We introduce JARVIS-1, an open-world agent that can perceive multimodal input (visual observations and human instructions), generate sophisticated plans, and perform embodied control, all within the popular yet challenging open-world Minecraft universe. Specifically, we develop JARVIS-1 on top of pre-trained multimodal language models, which map visual observations and textual instructions to plans. The plans will be ultimately dispatched to the goal-conditioned controllers. We outfit JARVIS-1 with a multimodal memory, which facilitates planning using both pre-trained knowledge and its actual game survival experiences. In our experiments, JARVIS-1 exhibits nearly perfect performances across over 200 varying tasks from the Minecraft Universe Benchmark, ranging from entry to intermediate levels. JARVIS-1 has achieved a completion rate of 12.5% in the long-horizon diamond pickaxe task. This represents a significant increase up to 5 times compared to previous records. Furthermore, we show that JARVIS-1 is able to self-improve following a life-long learning paradigm thanks to multimodal memory, sparking a more general intelligence and improved autonomy. The project page is available at https://craftjarvis-jarvis1.github.io.

Large Language Models (LLMs) have shown remarkable abilities in structured reasoning and symbolic tasks, with coding emerging as a particular area of strength. This success has sparked growing interest in applying LLMs to mathematics, both in informal problem-solving and formal theorem proving. However, progress in formal mathematics has proven to be significantly more difficult, despite surface-level similarities between programming and proof construction. This discrepancy raises important questions about how LLMs ``reason'', how they are supervised, and whether they internally track a notion of computational or deductive state. In this article, we address the state-of-the-art of the discipline, focusing on recent models and benchmarks, and explore three central issues at the intersection of machine learning and mathematical cognition: (i) the trade-offs between formal and informal mathematics as training domains; (ii) the deeper reasons why proof generation remains more brittle than code synthesis; (iii) and the question of whether LLMs represent, or merely mimic, a notion of evolving logical state. Our goal is not to draw hard boundaries, but to identify where the current limits lie, and how they might be extended.

This study critically distinguishes between AI Agents and Agentic AI, offering a structured conceptual taxonomy, application mapping, and challenge analysis to clarify their divergent design philosophies and capabilities. We begin by outlining the search strategy and foundational definitions, characterizing AI Agents as modular systems driven by Large Language Models (LLMs) and Large Image Models (LIMs) for narrow, task-specific automation. Generative AI is positioned as a precursor, with AI Agents advancing through tool integration, prompt engineering, and reasoning enhancements. In contrast, Agentic AI systems represent a paradigmatic shift marked by multi-agent collaboration, dynamic task decomposition, persistent memory, and orchestrated autonomy. Through a sequential evaluation of architectural evolution, operational mechanisms, interaction styles, and autonomy levels, we present a comparative analysis across both paradigms. Application domains such as customer support, scheduling, and data summarization are contrasted with Agentic AI deployments in research automation, robotic coordination, and medical decision support. We further examine unique challenges in each paradigm including hallucination, brittleness, emergent behavior, and coordination failure and propose targeted solutions such as ReAct loops, RAG, orchestration layers, and causal modeling. This work aims to provide a definitive roadmap for developing robust, scalable, and explainable AI agent and Agentic AI-driven systems. >AI Agents, Agent-driven, Vision-Language-Models, Agentic AI Decision Support System, Agentic-AI Applications

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

Prompt engineering is crucial for deploying LLMs but is poorly understood mathematically. We formalize LLM systems as a class of discrete stochastic dynamical systems to explore prompt engineering through the lens of control theory. We investigate the reachable set of output token sequences R_y(mathbf x_0) for which there exists a control input sequence mathbf u for each mathbf y in R_y(mathbf x_0) that steers the LLM to output mathbf y from initial state sequence mathbf x_0. We offer analytic analysis on the limitations on the controllability of self-attention in terms of reachable set, where we prove an upper bound on the reachable set of outputs R_y(mathbf x_0) as a function of the singular values of the parameter matrices. We present complementary empirical analysis on the controllability of a panel of LLMs, including Falcon-7b, Llama-7b, and Falcon-40b. Our results demonstrate a lower bound on the reachable set of outputs R_y(mathbf x_0) w.r.t. initial state sequences mathbf x_0 sampled from the Wikitext dataset. We find that the correct next Wikitext token following sequence mathbf x_0 is reachable over 97% of the time with prompts of kleq 10 tokens. We also establish that the top 75 most likely next tokens, as estimated by the LLM itself, are reachable at least 85% of the time with prompts of kleq 10 tokens. Intriguingly, short prompt sequences can dramatically alter the likelihood of specific outputs, even making the least likely tokens become the most likely ones. This control-centric analysis of LLMs demonstrates the significant and poorly understood role of input sequences in steering output probabilities, offering a foundational perspective for enhancing language model system capabilities.

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.

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on interdisciplinary knowledge. However, existing medical agent systems often rely on static, manually crafted workflows that lack the flexibility to accommodate diverse diagnostic requirements and adapt to emerging clinical scenarios. Motivated by the success of automated machine learning (AutoML), this paper introduces a novel framework for the automated design of medical agent architectures. Specifically, we define a hierarchical and expressive agent search space that enables dynamic workflow adaptation through structured modifications at the node, structural, and framework levels. Our framework conceptualizes medical agents as graph-based architectures composed of diverse, functional node types and supports iterative self-improvement guided by diagnostic feedback. Experimental results on skin disease diagnosis tasks demonstrate that the proposed method effectively evolves workflow structures and significantly enhances diagnostic accuracy over time. This work represents the first fully automated framework for medical agent architecture design and offers a scalable, adaptable foundation for deploying intelligent agents in real-world clinical environments.

We study building embodied agents for open-ended creative tasks. While existing methods build instruction-following agents that can perform diverse open-ended tasks, none of them demonstrates creativity -- the ability to give novel and diverse task solutions implicit in the language instructions. This limitation comes from their inability to convert abstract language instructions into concrete task goals in the environment and perform long-horizon planning for such complicated goals. Given the observation that humans perform creative tasks with the help of imagination, we propose a class of solutions for creative agents, where the controller is enhanced with an imaginator that generates detailed imaginations of task outcomes conditioned on language instructions. We introduce several approaches to implementing the components of creative agents. We implement the imaginator with either a large language model for textual imagination or a diffusion model for visual imagination. The controller can either be a behavior-cloning policy learned from data or a pre-trained foundation model generating executable codes in the environment. We benchmark creative tasks with the challenging open-world game Minecraft, where the agents are asked to create diverse buildings given free-form language instructions. In addition, we propose novel evaluation metrics for open-ended creative tasks utilizing GPT-4V, which holds many advantages over existing metrics. We perform a detailed experimental analysis of creative agents, showing that creative agents are the first AI agents accomplishing diverse building creation in the survival mode of Minecraft. Our benchmark and models are open-source for future research on creative agents (https://github.com/PKU-RL/Creative-Agents).

Automated Planning and Scheduling is among the growing areas in Artificial Intelligence (AI) where mention of LLMs has gained popularity. Based on a comprehensive review of 126 papers, this paper investigates eight categories based on the unique applications of LLMs in addressing various aspects of planning problems: language translation, plan generation, model construction, multi-agent planning, interactive planning, heuristics optimization, tool integration, and brain-inspired planning. For each category, we articulate the issues considered and existing gaps. A critical insight resulting from our review is that the true potential of LLMs unfolds when they are integrated with traditional symbolic planners, pointing towards a promising neuro-symbolic approach. This approach effectively combines the generative aspects of LLMs with the precision of classical planning methods. By synthesizing insights from existing literature, we underline the potential of this integration to address complex planning challenges. Our goal is to encourage the ICAPS community to recognize the complementary strengths of LLMs and symbolic planners, advocating for a direction in automated planning that leverages these synergistic capabilities to develop more advanced and intelligent planning systems.

We introduce the STATION, an open-world multi-agent environment that models a miniature scientific ecosystem. Leveraging their extended context windows, agents in the Station can engage in long scientific journeys that include reading papers from peers, formulating hypotheses, submitting code, performing analyses, and publishing results. Importantly, there is no centralized system coordinating their activities - agents are free to choose their own actions and develop their own narratives within the Station. Experiments demonstrate that AI agents in the Station achieve new state-of-the-art performance on a wide range of benchmarks, spanning from mathematics to computational biology to machine learning, notably surpassing AlphaEvolve in circle packing. A rich tapestry of narratives emerges as agents pursue independent research, interact with peers, and build upon a cumulative history. From these emergent narratives, novel methods arise organically, such as a new density-adaptive algorithm for scRNA-seq batch integration. The Station marks a first step towards autonomous scientific discovery driven by emergent behavior in an open-world environment, representing a new paradigm that moves beyond rigid optimization.

Automated Planning algorithms require a model of the domain that specifies the preconditions and effects of each action. Obtaining such a domain model is notoriously hard. Algorithms for learning domain models exist, yet it remains unclear whether learning a domain model and planning is an effective approach for numeric planning environments, i.e., where states include discrete and numeric state variables. In this work, we explore the benefits of learning a numeric domain model and compare it with alternative model-free solutions. As a case study, we use two tasks in Minecraft, a popular sandbox game that has been used as an AI challenge. First, we consider an offline learning setting, where a set of expert trajectories are available to learn from. This is the standard setting for learning domain models. We used the Numeric Safe Action Model Learning (NSAM) algorithm to learn a numeric domain model and solve new problems with the learned domain model and a numeric planner. We call this model-based solution NSAM_(+p), and compare it to several model-free Imitation Learning (IL) and Offline Reinforcement Learning (RL) algorithms. Empirical results show that some IL algorithms can learn faster to solve simple tasks, while NSAM_(+p) allows solving tasks that require long-term planning and enables generalizing to solve problems in larger environments. Then, we consider an online learning setting, where learning is done by moving an agent in the environment. For this setting, we introduce RAMP. In RAMP, observations collected during the agent's execution are used to simultaneously train an RL policy and learn a planning domain action model. This forms a positive feedback loop between the RL policy and the learned domain model. We demonstrate experimentally the benefits of using RAMP, showing that it finds more efficient plans and solves more problems than several RL baselines.

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment, make decisions, and take actions. Many efforts have been made to develop intelligent AI agents since the mid-20th century. However, these efforts have mainly focused on advancement in algorithms or training strategies to enhance specific capabilities or performance on particular tasks. Actually, what the community lacks is a sufficiently general and powerful model to serve as a starting point for designing AI agents that can adapt to diverse scenarios. Due to the versatile and remarkable capabilities they demonstrate, large language models (LLMs) are regarded as potential sparks for Artificial General Intelligence (AGI), offering hope for building general AI agents. Many research efforts have leveraged LLMs as the foundation to build AI agents and have achieved significant progress. We start by tracing the concept of agents from its philosophical origins to its development in AI, and explain why LLMs are suitable foundations for AI agents. Building upon this, we present a conceptual framework for LLM-based agents, comprising three main components: brain, perception, and action, and the framework can be tailored to suit different applications. Subsequently, we explore the extensive applications of LLM-based agents in three aspects: single-agent scenarios, multi-agent scenarios, and human-agent cooperation. Following this, we delve into agent societies, exploring the behavior and personality of LLM-based agents, the social phenomena that emerge when they form societies, and the insights they offer for human society. Finally, we discuss a range of key topics and open problems within the field.

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. However, the landscape remains fragmented and lacks a unified taxonomy or comprehensive survey. Therefore, we present a side-by-side comparison of benchmarks developed between 2019 and 2025 that evaluate these models and agents across multiple domains. In addition, we propose a taxonomy of approximately 60 benchmarks that cover general and academic knowledge reasoning, mathematical problem-solving, code generation and software engineering, factual grounding and retrieval, domain-specific evaluations, multimodal and embodied tasks, task orchestration, and interactive assessments. Furthermore, we review AI-agent frameworks introduced between 2023 and 2025 that integrate large language models with modular toolkits to enable autonomous decision-making and multi-step reasoning. Moreover, we present real-world applications of autonomous AI agents in materials science, biomedical research, academic ideation, software engineering, synthetic data generation, chemical reasoning, mathematical problem-solving, geographic information systems, multimedia, healthcare, and finance. We then survey key agent-to-agent collaboration protocols, namely the Agent Communication Protocol (ACP), the Model Context Protocol (MCP), and the Agent-to-Agent Protocol (A2A). Finally, we discuss recommendations for future research, focusing on advanced reasoning strategies, failure modes in multi-agent LLM systems, automated scientific discovery, dynamic tool integration via reinforcement learning, integrated search capabilities, and security vulnerabilities in agent protocols.

Recent large language models (LLMs) have demonstrated great potential toward intelligent agents and next-gen automation, but there currently lacks a systematic benchmark for evaluating LLMs' abilities as agents. We introduce SmartPlay: both a challenging benchmark and a methodology for evaluating LLMs as agents. SmartPlay consists of 6 different games, including Rock-Paper-Scissors, Tower of Hanoi, Minecraft. Each game features a unique setting, providing up to 20 evaluation settings and infinite environment variations. Each game in SmartPlay uniquely challenges a subset of 9 important capabilities of an intelligent LLM agent, including reasoning with object dependencies, planning ahead, spatial reasoning, learning from history, and understanding randomness. The distinction between the set of capabilities each game test allows us to analyze each capability separately. SmartPlay serves not only as a rigorous testing ground for evaluating the overall performance of LLM agents but also as a road-map for identifying gaps in current methodologies. We release our benchmark at github.com/LLMsmartplay/SmartPlay

Recent advances in Large Language Models (LLM) have led to a new class of autonomous agents, renewing and expanding interest in the area. LLM-powered Multiagent Systems (MAS) have thus emerged, both for assistive and simulation purposes, yet tools for realistic human behavior simulation -- with its distinctive challenges and opportunities -- remain underdeveloped. Existing MAS libraries and tools lack fine-grained persona specifications, population sampling facilities, experimentation support, and integrated validation, among other key capabilities, limiting their utility for behavioral studies, social simulation, and related applications. To address these deficiencies, in this work we introduce TinyTroupe, a simulation toolkit enabling detailed persona definitions (e.g., nationality, age, occupation, personality, beliefs, behaviors) and programmatic control via numerous LLM-driven mechanisms. This allows for the concise formulation of behavioral problems of practical interest, either at the individual or group level, and provides effective means for their solution. TinyTroupe's components are presented using representative working examples, such as brainstorming and market research sessions, thereby simultaneously clarifying their purpose and demonstrating their usefulness. Quantitative and qualitative evaluations of selected aspects are also provided, highlighting possibilities, limitations, and trade-offs. The approach, though realized as a specific Python implementation, is meant as a novel conceptual contribution, which can be partially or fully incorporated in other contexts. The library is available as open source at https://github.com/microsoft/tinytroupe.

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

Large language models (LLMs) pre-trained on vast internet-scale data have showcased remarkable capabilities across diverse domains. Recently, there has been escalating interest in deploying LLMs for robotics, aiming to harness the power of foundation models in real-world settings. However, this approach faces significant challenges, particularly in grounding these models in the physical world and in generating dynamic robot motions. To address these issues, we introduce a novel paradigm in which we use few-shot prompts collected from the physical environment, enabling the LLM to autoregressively generate low-level control commands for robots without task-specific fine-tuning. Experiments across various robots and environments validate that our method can effectively prompt a robot to walk. We thus illustrate how LLMs can proficiently function as low-level feedback controllers for dynamic motion control even in high-dimensional robotic systems. The project website and source code can be found at: https://prompt2walk.github.io/ .

The Vision of Autonomic Computing (ACV), proposed over two decades ago, envisions computing systems that self-manage akin to biological organisms, adapting seamlessly to changing environments. Despite decades of research, achieving ACV remains challenging due to the dynamic and complex nature of modern computing systems. Recent advancements in Large Language Models (LLMs) offer promising solutions to these challenges by leveraging their extensive knowledge, language understanding, and task automation capabilities. This paper explores the feasibility of realizing ACV through an LLM-based multi-agent framework for microservice management. We introduce a five-level taxonomy for autonomous service maintenance and present an online evaluation benchmark based on the Sock Shop microservice demo project to assess our framework's performance. Our findings demonstrate significant progress towards achieving Level 3 autonomy, highlighting the effectiveness of LLMs in detecting and resolving issues within microservice architectures. This study contributes to advancing autonomic computing by pioneering the integration of LLMs into microservice management frameworks, paving the way for more adaptive and self-managing computing systems. The code will be made available at https://aka.ms/ACV-LLM.

Large language model (LLM) agents exhibit strong mathematical problem-solving abilities and can even solve International Mathematical Olympiad (IMO) level problems with the assistance of formal proof systems. However, due to weak heuristics for auxiliary constructions, AI for geometry problem solving remains dominated by expert models such as AlphaGeometry 2, which rely heavily on large-scale data synthesis and search for both training and evaluation. In this work, we make the first attempt to build a medalist-level LLM agent for geometry and present InternGeometry. InternGeometry overcomes the heuristic limitations in geometry by iteratively proposing propositions and auxiliary constructions, verifying them with a symbolic engine, and reflecting on the engine's feedback to guide subsequent proposals. A dynamic memory mechanism enables InternGeometry to conduct more than two hundred interactions with the symbolic engine per problem. To further accelerate learning, we introduce Complexity-Boosting Reinforcement Learning (CBRL), which gradually increases the complexity of synthesized problems across training stages. Built on InternThinker-32B, InternGeometry solves 44 of 50 IMO geometry problems (2000-2024), exceeding the average gold medalist score (40.9), using only 13K training examples, just 0.004% of the data used by AlphaGeometry 2, demonstrating the potential of LLM agents on expert-level geometry tasks. InternGeometry can also propose novel auxiliary constructions for IMO problems that do not appear in human solutions. We will release the model, data, and symbolic engine to support future research.

The emergence of Large Language Models (LLMs) has ushered in a transformative paradigm in artificial intelligence, Agentic AI, where intelligent agents exhibit goal-directed autonomy, contextual reasoning, and dynamic multi-agent coordination. This paper provides a systematic review and comparative analysis of leading Agentic AI frameworks, including CrewAI, LangGraph, AutoGen, Semantic Kernel, Agno, Google ADK, and MetaGPT, evaluating their architectural principles, communication mechanisms, memory management, safety guardrails, and alignment with service-oriented computing paradigms. Furthermore, we identify key limitations, emerging trends, and open challenges in the field. To address the issue of agent communication, we conduct an in-depth analysis of protocols such as the Contract Net Protocol (CNP), Agent-to-Agent (A2A), Agent Network Protocol (ANP), and Agora. Our findings not only establish a foundational taxonomy for Agentic AI systems but also propose future research directions to enhance scalability, robustness, and interoperability. This work serves as a comprehensive reference for researchers and practitioners working to advance the next generation of autonomous AI systems.

Large Language Model (LLM) Agents, often trained with Reinforcement Learning (RL), are constrained by a dependency on human-curated data, limiting scalability and tethering AI to human knowledge. Existing self-evolution frameworks offer an alternative but are typically restricted by the model's inherent capabilities and single-round interactions, hindering the development of complex curricula involving tool use or dynamic reasoning. We introduce Agent0, a fully autonomous framework that evolves high-performing agents without external data through multi-step co-evolution and seamless tool integration. Agent0 establishes a symbiotic competition between two agents initialized from the same base LLM: a curriculum agent that proposes increasingly challenging frontier tasks, and an executor agent that learns to solve them. We integrate external tools to enhance the executor's problem-solving capacity; this improvement, in turn, pressures the curriculum agent to construct more complex, tool-aware tasks. Through this iterative process, Agent0 establishes a self-reinforcing cycle that continuously produces high-quality curricula. Empirically, Agent0 substantially boosts reasoning capabilities, improving the Qwen3-8B-Base model by 18% on mathematical reasoning and 24% on general reasoning benchmarks. Code is available at https://github.com/aiming-lab/Agent0.

Despite the significant strides made by generative AI in just a few short years, its future progress is constrained by the challenge of building modular and robust systems. This capability has been a cornerstone of past technological revolutions, which relied on combining components to create increasingly sophisticated and reliable systems. Cars, airplanes, computers, and software consist of components-such as engines, wheels, CPUs, and libraries-that can be assembled, debugged, and replaced. A key tool for building such reliable and modular systems is specification: the precise description of the expected behavior, inputs, and outputs of each component. However, the generality of LLMs and the inherent ambiguity of natural language make defining specifications for LLM-based components (e.g., agents) both a challenging and urgent problem. In this paper, we discuss the progress the field has made so far-through advances like structured outputs, process supervision, and test-time compute-and outline several future directions for research to enable the development of modular and reliable LLM-based systems through improved specifications.

We study the autonomous exploration (AX) problem proposed by Lim & Auer (2012). In this setting, the objective is to discover a set of epsilon-optimal policies reaching a set S_L^{rightarrow} of incrementally L-controllable states. We introduce a novel layered decomposition of the set of incrementally L-controllable states that is based on the iterative application of a state-expansion operator. We leverage these results to design Layered Autonomous Exploration (LAE), a novel algorithm for AX that attains a sample complexity of mathcal{O}(LS^{rightarrow}_{L(1+epsilon)}Gamma_{L(1+epsilon)} A ln^{12}(S^{rightarrow}_{L(1+epsilon)})/epsilon^2), where S^{rightarrow}_{L(1+epsilon)} is the number of states that are incrementally L(1+epsilon)-controllable, A is the number of actions, and Gamma_{L(1+epsilon)} is the branching factor of the transitions over such states. LAE improves over the algorithm of Tarbouriech et al. (2020a) by a factor of L^2 and it is the first algorithm for AX that works in a countably-infinite state space. Moreover, we show that, under a certain identifiability assumption, LAE achieves minimax-optimal sample complexity of mathcal{O}(LS^{rightarrow}_{L}Aln^{12}(S^{rightarrow}_{L})/epsilon^2), outperforming existing algorithms and matching for the first time the lower bound proved by Cai et al. (2022) up to logarithmic factors.

Autonomous agent systems powered by Large Language Models (LLMs) have demonstrated promising capabilities in automating complex tasks. However, current evaluations largely rely on success rates without systematically analyzing the interactions, communication mechanisms, and failure causes within these systems. To bridge this gap, we present a benchmark of 34 representative programmable tasks designed to rigorously assess autonomous agents. Using this benchmark, we evaluate three popular open-source agent frameworks combined with two LLM backbones, observing a task completion rate of approximately 50%. Through in-depth failure analysis, we develop a three-tier taxonomy of failure causes aligned with task phases, highlighting planning errors, task execution issues, and incorrect response generation. Based on these insights, we propose actionable improvements to enhance agent planning and self-diagnosis capabilities. Our failure taxonomy, together with mitigation advice, provides an empirical foundation for developing more robust and effective autonomous agent systems in the future.

This paper explores the integration of two AI subdisciplines employed in the development of artificial agents that exhibit intelligent behavior: Large Language Models (LLMs) and Cognitive Architectures (CAs). We present three integration approaches, each grounded in theoretical models and supported by preliminary empirical evidence. The modular approach, which introduces four models with varying degrees of integration, makes use of chain-of-thought prompting, and draws inspiration from augmented LLMs, the Common Model of Cognition, and the simulation theory of cognition. The agency approach, motivated by the Society of Mind theory and the LIDA cognitive architecture, proposes the formation of agent collections that interact at micro and macro cognitive levels, driven by either LLMs or symbolic components. The neuro-symbolic approach, which takes inspiration from the CLARION cognitive architecture, proposes a model where bottom-up learning extracts symbolic representations from an LLM layer and top-down guidance utilizes symbolic representations to direct prompt engineering in the LLM layer. These approaches aim to harness the strengths of both LLMs and CAs, while mitigating their weaknesses, thereby advancing the development of more robust AI systems. We discuss the tradeoffs and challenges associated with each approach.

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external tools for complex-task solving. To make sure LLM Agents follow an effective and reliable procedure to solve the given task, manually designed workflows are usually used to guide the working mechanism of agents. However, manually designing the workflows requires considerable efforts and domain knowledge, making it difficult to develop and deploy agents on massive scales. To address these issues, we propose AutoFlow, a framework designed to automatically generate workflows for agents to solve complex tasks. AutoFlow takes natural language program as the format of agent workflow and employs a workflow optimization procedure to iteratively optimize the workflow quality. Besides, this work offers two workflow generation methods: fine-tuning-based and in-context-based methods, making the AutoFlow framework applicable to both open-source and closed-source LLMs. Experimental results show that our framework can produce robust and reliable agent workflows. We believe that the automatic generation and interpretation of workflows in natural language represent a promising paradigm for solving complex tasks, particularly with the rapid development of LLMs. The source code of this work is available at https://github.com/agiresearch/AutoFlow.

We present Mini-BEHAVIOR, a novel benchmark for embodied AI that challenges agents to use reasoning and decision-making skills to solve complex activities that resemble everyday human challenges. The Mini-BEHAVIOR environment is a fast, realistic Gridworld environment that offers the benefits of rapid prototyping and ease of use while preserving a symbolic level of physical realism and complexity found in complex embodied AI benchmarks. We introduce key features such as procedural generation, to enable the creation of countless task variations and support open-ended learning. Mini-BEHAVIOR provides implementations of various household tasks from the original BEHAVIOR benchmark, along with starter code for data collection and reinforcement learning agent training. In essence, Mini-BEHAVIOR offers a fast, open-ended benchmark for evaluating decision-making and planning solutions in embodied AI. It serves as a user-friendly entry point for research and facilitates the evaluation and development of solutions, simplifying their assessment and development while advancing the field of embodied AI. Code is publicly available at https://github.com/StanfordVL/mini_behavior.

Recurrent neural networks (RNNs) provide a powerful approach in neuroscience to infer latent dynamics in neural populations and to generate hypotheses about the neural computations underlying behavior. However, past work has focused on relatively simple, input-driven, and largely deterministic behaviors - little is known about the mechanisms that would allow RNNs to generate the richer, spontaneous, and potentially stochastic behaviors observed in natural settings. Modeling with Hidden Markov Models (HMMs) has revealed a segmentation of natural behaviors into discrete latent states with stochastic transitions between them, a type of dynamics that may appear at odds with the continuous state spaces implemented by RNNs. Here we first show that RNNs can replicate HMM emission statistics and then reverse-engineer the trained networks to uncover the mechanisms they implement. In the absence of inputs, the activity of trained RNNs collapses towards a single fixed point. When driven by stochastic input, trajectories instead exhibit noise-sustained dynamics along closed orbits. Rotation along these orbits modulates the emission probabilities and is governed by transitions between regions of slow, noise-driven dynamics connected by fast, deterministic transitions. The trained RNNs develop highly structured connectivity, with a small set of "kick neurons" initiating transitions between these regions. This mechanism emerges during training as the network shifts into a regime of stochastic resonance, enabling it to perform probabilistic computations. Analyses across multiple HMM architectures - fully connected, cyclic, and linear-chain - reveal that this solution generalizes through the modular reuse of the same dynamical motif, suggesting a compositional principle by which RNNs can emulate complex discrete latent dynamics.

Many of society's most pressing challenges, from pandemic response to supply chain disruptions to climate adaptation, emerge from the collective behavior of millions of autonomous agents making decisions over time. Large Population Models (LPMs) offer an approach to understand these complex systems by simulating entire populations with realistic behaviors and interactions at unprecedented scale. LPMs extend traditional modeling approaches through three key innovations: computational methods that efficiently simulate millions of agents simultaneously, mathematical frameworks that learn from diverse real-world data streams, and privacy-preserving communication protocols that bridge virtual and physical environments. This allows researchers to observe how agent behavior aggregates into system-level outcomes and test interventions before real-world implementation. While current AI advances primarily focus on creating "digital humans" with sophisticated individual capabilities, LPMs develop "digital societies" where the richness of interactions reveals emergent phenomena. By bridging individual agent behavior and population-scale dynamics, LPMs offer a complementary path in AI research illuminating collective intelligence and providing testing grounds for policies and social innovations before real-world deployment. We discuss the technical foundations and some open problems here. LPMs are implemented by the AgentTorch framework (github.com/AgentTorch/AgentTorch)

Generative artificial intelligence (AI) systems have transformed various industries by autonomously generating content that mimics human creativity. However, concerns about their social and economic consequences arise with widespread adoption. This paper employs agent-based modeling (ABM) to explore these implications, predicting the impact of generative AI on societal frameworks. The ABM integrates individual, business, and governmental agents to simulate dynamics such as education, skills acquisition, AI adoption, and regulatory responses. This study enhances understanding of AI's complex interactions and provides insights for policymaking. The literature review underscores ABM's effectiveness in forecasting AI impacts, revealing AI adoption, employment, and regulation trends with potential policy implications. Future research will refine the model, assess long-term implications and ethical considerations, and deepen understanding of generative AI's societal effects.

Large language models (LLMs) have recently garnered significant accomplishments in various exploratory tasks, even surpassing the performance of traditional reinforcement learning-based methods that have historically dominated the agent-based field. The purpose of this paper is to investigate the efficacy of LLMs in executing real-time strategy war tasks within the StarCraft II gaming environment. In this paper, we introduce SwarmBrain, an embodied agent leveraging LLM for real-time strategy implementation in the StarCraft II game environment. The SwarmBrain comprises two key components: 1) a Overmind Intelligence Matrix, powered by state-of-the-art LLMs, is designed to orchestrate macro-level strategies from a high-level perspective. This matrix emulates the overarching consciousness of the Zerg intelligence brain, synthesizing strategic foresight with the aim of allocating resources, directing expansion, and coordinating multi-pronged assaults. 2) a Swarm ReflexNet, which is agile counterpart to the calculated deliberation of the Overmind Intelligence Matrix. Due to the inherent latency in LLM reasoning, the Swarm ReflexNet employs a condition-response state machine framework, enabling expedited tactical responses for fundamental Zerg unit maneuvers. In the experimental setup, SwarmBrain is in control of the Zerg race in confrontation with an Computer-controlled Terran adversary. Experimental results show the capacity of SwarmBrain to conduct economic augmentation, territorial expansion, and tactical formulation, and it shows the SwarmBrain is capable of achieving victory against Computer players set at different difficulty levels.

Large Language Models (LLMs) based agents excel at diverse tasks, yet they suffer from brittle procedural memory that is manually engineered or entangled in static parameters. In this work, we investigate strategies to endow agents with a learnable, updatable, and lifelong procedural memory. We propose Memp that distills past agent trajectories into both fine-grained, step-by-step instructions and higher-level, script-like abstractions, and explore the impact of different strategies for Build, Retrieval, and Update of procedural memory. Coupled with a dynamic regimen that continuously updates, corrects, and deprecates its contents, this repository evolves in lockstep with new experience. Empirical evaluation on TravelPlanner and ALFWorld shows that as the memory repository is refined, agents achieve steadily higher success rates and greater efficiency on analogous tasks. Moreover, procedural memory built from a stronger model retains its value: migrating the procedural memory to a weaker model yields substantial performance gains.

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language interfaces. We consider language agents as a promising direction towards artificial general intelligence and release Agents, an open-source library with the goal of opening up these advances to a wider non-specialist audience. Agents is carefully engineered to support important features including planning, memory, tool usage, multi-agent communication, and fine-grained symbolic control. Agents is user-friendly as it enables non-specialists to build, customize, test, tune, and deploy state-of-the-art autonomous language agents without much coding. The library is also research-friendly as its modularized design makes it easily extensible for researchers. Agents is available at https://github.com/aiwaves-cn/agents.