arXiv AI

GAE: Graph-Augmented Evolution for Scientific Discovery via Reinforcement Optimization

arXiv:2607. 10127v1 Announce Type: cross Abstract: Evolutionary program search guided by Large Language Models (LLMs) has emerged as a powerful paradigm for automated scientific discovery.

arXiv AI

Jul 28

LLM-Based Scientific Equation Discovery via Physics-Informed Token-Regularized Policy Optimization

arXiv:2602. 10576v2 Announce Type: replace-cross Abstract: Symbolic regression aims to distill mathematical equations from observational data.

By Boxiao Wang, Kai Li, Tianyi Liu, Chen Li, Junzhe Wang, Yifan Zhang, Jian Cheng

llms reinforcement-learning benchmarks

arXiv AI

Jun 26

EvoOptiGraph: Weakness-Driven Coevolution via Graph-Based Structural Generation for Optimization Modeling

arXiv:2606. 26578v1 Announce Type: new Abstract: Automating optimization modeling from natural language with large language models (LLMs) faces two key challenges.

By Qingcan Kang, Mingyang Liu, Xiaojin Fu, Shixiong Kai, Tao Zhong, Mingxuan Yuan

llms agents reinforcement-learning fine-tuning

arXiv Machine Learning

Jun 9

Graph-GRPO: Training Graph Flow Models with Reinforcement Learning

arXiv:2603. 10395v2 Announce Type: replace Abstract: Graph generation is a fundamental task with broad applications, such as drug discovery.

By Baoheng Zhu, Deyu Bo, Delvin Ce Zhang, Xiao Wang

diffusion reinforcement-learning benchmarks

arXiv AI

Jul 13

Evolutionary Intelligence for Scientific Discovery: From Evolutionary Computation to Cumulative Discovery Systems

arXiv:2607. 09025v1 Announce Type: cross Abstract: Artificial intelligence (AI) is shifting scientific discovery from task-specific workflows towards autonomous systems that organize exploration with experimental and human feedback in open-ended candidate spaces.

By Chao Wang, Lingling Li, Fang Liu, Licheng Jiao

agents

arXiv Machine Learning

Jul 30

EvoPINN: Agentic Discovery of Executable Algorithms for Physics-Informed Neural Networks

arXiv:2607. 26490v1 Announce Type: cross Abstract: Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs), yet their performance heavily relies on the manual, trial-and-error engineering of neural representations, loss formulations, and optimization dynamics.

By Peng Yin, Kai Li, Yifan Zhang, Jian Cheng

llms agents

arXiv AI

Jul 29

Structured Scaling of AI Discovery Across Diverse Scientific Domains

arXiv:2604. 19341v2 Announce Type: replace-cross Abstract: Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions.

By Haotian Ye, Haowei Lin, Jingyi Tang, Yizhen Luo, Rahul Thapa, Caiyin Yang, Chang Su, Rui Yang, Ruihua Liu, Rundao Li, Zeyu Li, Pengwei Sun, Chong Gao, Dachao Ding, Guangrong He, Miaolei Zhang, Lina Sun, Wenyang Wang, Yuchen Zhong, Zhuohao Shen, Puheng Li, Pan Lu, Bianxiao Cui, Di He, Jianzhu Ma, Junfeng Li, Hexi Baoyin, Yejin Choi, Stefano Ermon, Xiaowen Chu, Tongyang Li, Yuzhi Xu, James Zou

llms benchmarks

arXiv Machine Learning

Jun 30

Evolution Fine-Tuning: Learning to Discover Across 371 Optimization Tasks

arXiv:2606. 29082v1 Announce Type: cross Abstract: Would experience designing faster GPU kernels also help close in on a long-standing open mathematical conjecture?

By Young-Jun Lee, Seungone Kim, Minki Kang, Alistair Cheong Liang Chuen, Zerui Chen, Seungho Han, Taehee Jung, Dongyeop Kang

llms agents reinforcement-learning fine-tuning benchmarks

arXiv AI

Aug 10

CEDAR: Agent-Orchestrated Tree Search for Goal-Directed Optimization of Complex Systems

arXiv:2608. 06871v1 Announce Type: new Abstract: Complex systems, core objects of study in artificial life, model diverse phenomena through nonlinear, feedback-driven interactions that produce emergent behavior, with applications from population dynamics and biology to economic policy and strategic decision-making.

By Yingtao Tian

llms agents safety

arXiv AI

23h ago

G-ReAct: Graph-Guided Deep Search via Structure-State Co-Evolution

arXiv:2608. 01324v2 Announce Type: replace Abstract: Deep search has become a fundamental capability of large language models (LLMs) for solving open-domain complex tasks.

By Shaoxiong Yang, Mengyuan Zhang, Shaojun Lin, Chao Li, Wei Liu, Kun Shao, Jian Luan

llms reinforcement-learning fine-tuning

arXiv AI

Jun 24

ATHENA: Agentic Team for Hierarchical Evolutionary Numerical Algorithms

arXiv:2512. 03476v3 Announce Type: replace-cross Abstract: Progress in computational science depends on complex numerical workflows that must faithfully encode physical laws, yet translating conceptual insight into reliable code remains a major bottleneck.

By Juan Diego Toscano, Daniel T. Chen, George Em Karniadakis

llms agents reinforcement-learning benchmarks

arXiv Machine Learning

Jul 20

Discovering Generalizable Governing Equations for Graph Dynamical Systems with Interpretable Neural Networks

arXiv:2508. 18173v2 Announce Type: replace Abstract: The discovery of symbolic governing equations is a central goal in science; yet, it remains challenging particularly for graph dynamical systems, where the network topology further shapes the system behavior.

By Riccardo Cappi, Paolo Frazzetto, Nicol\`o Navarin, Alessandro Sperduti

benchmarks

arXiv Machine Learning

Jun 11

My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents

arXiv:2606. 11256v1 Announce Type: cross Abstract: Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes.

By C\'esar Ojeda, Darius A. Faroughy, Maryam Karimi, Payam Zarrintaj, Mir Mehdi Seyedebrahimi, Mart\'in Carballo-Pacheco

llms agents fine-tuning benchmarks

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