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Related papers: CausalEvolve: Towards Open-Ended Discovery with Ca…

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In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces…

Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

Artificial Intelligence · Computer Science 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

Causal inference is central to scientific discovery, yet choosing appropriate methods remains challenging because of the complexity of both statistical methodology and real-world data. Inspired by the success of artificial intelligence in…

Artificial Intelligence · Computer Science 2026-04-07 Can Wang , Hongyu Zhao , Yiqun Chen

AlphaEvolve (Novikov et al., 2025) is a generic evolutionary coding agent that combines the generative capabilities of LLMs with automated evaluation in an iterative evolutionary framework that proposes, tests, and refines algorithmic…

Neural and Evolutionary Computing · Computer Science 2025-12-23 Bogdan Georgiev , Javier Gómez-Serrano , Terence Tao , Adam Zsolt Wagner

Geospatial modeling provides critical solutions for pressing global challenges such as sustainability and climate change. Existing large language model (LLM)-based algorithm discovery frameworks, such as AlphaEvolve, excel at evolving…

Artificial Intelligence · Computer Science 2025-09-29 Peng Luo , Xiayin Lou , Yu Zheng , Zhuo Zheng , Stefano Ermon

Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework…

Artificial Intelligence · Computer Science 2026-01-29 Xu Huang , Junwu Chen , Yuxing Fei , Zhuohan Li , Philippe Schwaller , Gerbrand Ceder

Large language model (LLM)-based evolution is a promising approach for open-ended discovery, where progress requires sustained search and knowledge accumulation. Existing methods still rely heavily on fixed heuristics and hard-coded…

The paradigm of automated program generation is shifting from one-shot generation to inference-time search, where Large Language Models (LLMs) function as semantic mutation operators within evolutionary loops. While effective, these systems…

Neural and Evolutionary Computing · Computer Science 2026-02-24 Mert Cemri , Shubham Agrawal , Akshat Gupta , Shu Liu , Audrey Cheng , Qiuyang Mang , Ashwin Naren , Lutfi Eren Erdogan , Koushik Sen , Matei Zaharia , Alex Dimakis , Ion Stoica

Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

Evolutionary agentic systems intensify the trade-off between computational efficiency and reasoning capability by repeatedly invoking large language models (LLMs) during inference. This setting raises a central question: how can an agent…

Computation and Language · Computer Science 2026-04-27 Pretam Ray , Pratik Prabhanjan Brahma , Zicheng Liu , Emad Barsoum

We introduce CodeEvolve, an open-source framework that couples large language models with island-based evolutionary search for end-to-end algorithmic discovery. CodeEvolve integrates inspiration-based crossover, meta-prompting, and…

Artificial Intelligence · Computer Science 2026-05-29 Henrique Assumpção , Diego Ferreira , Leandro Campos , Fabricio Murai

LLM-driven evolutionary systems have shown promise for automated science discovery, yet existing approaches such as AlphaEvolve rely on full-code histories that are context-inefficient and potentially provide weak evolutionary guidance. In…

Artificial Intelligence · Computer Science 2026-02-04 Jiachen Jiang , Tianyu Ding , Zhihui Zhu

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is…

Artificial Intelligence · Computer Science 2026-05-29 Junlin Yang , Dylan Zhang , Xiangchen Song , Qirun Dai , Xiao Liu , Yuen Chen , Aniket Vashishtha , Jing Shi , Chenhao Tan , Hao Peng

We introduce ShinkaEvolve: a new open-source framework leveraging large language models (LLMs) to advance scientific discovery with state-of-the-art performance and unprecedented efficiency. Recent advances in scaling inference time compute…

Computation and Language · Computer Science 2025-09-25 Robert Tjarko Lange , Yuki Imajuku , Edoardo Cetin

Scientific algorithm discovery is iterative: hypotheses are proposed, implemented, stress-tested, and revised. Current LLM-guided search systems accelerate proposal generation, but often under-represent scientific structure by optimizing…

Machine Learning · Computer Science 2026-04-02 Youssef Mroueh , Carlos Fonseca , Brian Belgodere , David Cox

Large language model (LLM) agents-especially smaller, open-source models-often produce causally invalid or incoherent actions in collaborative tasks due to their reliance on surface-level correlations rather than grounded causal reasoning.…

Artificial Intelligence · Computer Science 2025-08-20 Minh Hoang Nguyen , Van Dai Do , Dung Nguyen , Thin Nguyen , Hung Le

As Large Language Models (LLMs) move from curated training sets into open-ended real-world environments, a fundamental limitation emerges: static training cannot keep pace with continual deployment environment change. Scaling training-time…

Artificial Intelligence · Computer Science 2026-03-17 Minhua Lin , Hanqing Lu , Zhan Shi , Bing He , Rui Mao , Zhiwei Zhang , Zongyu Wu , Xianfeng Tang , Hui Liu , Zhenwei Dai , Xiang Zhang , Suhang Wang , Benoit Dumoulin , Jian Pei

Optimizing scientific computing algorithms for modern GPUs is a labor-intensive and iterative process involving repeated code modification, benchmarking, and tuning across complex hardware and software stacks. Recent work has explored large…

Artificial Intelligence · Computer Science 2026-01-22 Leyi Zhao , Weijie Huang , Yitong Guo , Jiang Bian , Chenghong Wang , Xuhong Zhang

Large Language Models (LLMs) have emerged as powerful operators for evolutionary search, yet the design of efficient search scaffolds remains ad hoc. While promising, current LLM-in-the-loop systems lack a systematic approach to managing…

Despite deep learning's success in chemistry, its impact is hindered by a lack of interpretability and an inability to resolve activity cliffs, where minor structural nuances trigger drastic property shifts. Current representation learning,…

Machine Learning · Computer Science 2026-03-26 Xiangsen Chen , Ruilong Wu , Yanyan Lan , Ting Ma , Yang Liu
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