Scientific Algorithm Discovery by Augmenting AlphaEvolve with Deep Research
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Abstract (arXiv)
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 AlphaEvolve, depends only on the internal knowledge of LLMs and quickly plateaus in complex domains, while pure deep research proposes ideas without validation, resulting in unrealistic or unimplementable solutions. We present DeepEvolve, an agent that integrates deep research with algorithm evolution, uniting external knowledge retrieval, cross-file code editing, and systematic debugging under a feedback-driven iterative loop. Each iteration not only proposes new hypotheses but also refines, implements, and tests them, avoiding both shallow improvements and unproductive over-refinements. Across nine benchmarks in chemistry, mathematics, biology, materials, and patents, DeepEvolve consistently improves the initial algorithm, producing executable new algorithms with sustained gains. By bridging the gap between unguided evolution and research without grounding, DeepEvolve provides a reliable framework for advancing scientific algorithm discovery. Our code is available at https://github.com/liugangcode/deepevolve.
Key facts. Cited by 19 papers in the map (data through 14 Oct 2026). Builds on 18 of its 32 references that are in the map. First posted on arXiv 7 Oct 2025.
Builds on
18 of 32 references.
References · 18
- 2023SWE-bench: Can Language Models Resolve Real-World GitHub Issues?cited by 3,373
- 2020Open Graph Benchmark: Datasets for Machine Learning on Graphscited by 2,163
- 2022Competition-Level Code Generation with AlphaCodecited by 1,462
- 2024The AI Scientist: Towards Fully Automated Open-Ended Scientific Discoverycited by 1,071
- 2025AlphaEvolve: A coding agent for scientific and algorithmic discoverycited by 867
- 2024MLE-bench: Evaluating Machine Learning Agents on Machine Learning Engineeringcited by 469
- 2015Illuminating search spaces by mapping elitescited by 425
- 2025Accelerating scientific discovery with Co-Scientistcited by 401
- 2023MLAgentBench: Evaluating Language Agents on Machine Learning Experimentationcited by 366
- 2024Can LLMs Generate Novel Research Ideas? A Large-Scale Human Study with 100+ NLP Researcherscited by 363
- 2025DeepResearcher: Scaling Deep Research via Reinforcement Learning in Real-world Environmentscited by 286
- 2022Graph Rationalization with Environment-based Augmentationscited by 70
6 more
- 2025Paper2Code: Automating Code Generation from Scientific Papers in Machine Learningcited by 70
- 2025A Comprehensive Survey of Deep Research: Systems, Methodologies, and Applicationscited by 50
- 2025CodePDE: An Inference Framework for LLM-driven PDE Solver Generationcited by 39
- 2025EXP-Bench: Can AI Conduct AI Research Experiments?cited by 37
- 2025AI Scientists Fail Without Strong Implementation Capabilitycited by 21
- 2025AutoP2C: An LLM-Based Agent Framework for Code Repository Generation from Multimodal Content in Academic Paperscited by 20
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Citing papers per year: 2025: 2; 2026: 17.
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- 2026AI co-mathematician: Accelerating mathematicians with agentic AIcited by 17
- 2025Glia: A Human-Inspired AI for Automated Systems Design and Optimizationcited by 16
- 2026Self-EvolveRec: Self-Evolving Recommender Systems with LLM-based Directional Feedbackcited by 10
- 2026NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?cited by 10
- 2026Improving Coherence and Persistence in Agentic AI for System Optimizationcited by 7
- 2026Safety Alignment as Continual Learning: Mitigating the Alignment Tax via Orthogonal Gradient Projectioncited by 6
- 2026Effective Harness Engineering for Algorithm Discovery with Coding Agentscited by 6
- 2026Automated Discovery Has No Universally Superior Harnesscited by 6
- 2025PARC: An Autonomous Self-Reflective Coding Agent for Robust Execution of Long-Horizon Taskscited by 2
- 2026Agentic Architect: An Agentic AI Framework for Architecture Design Exploration and Optimizationcited by 2
- 2026Back to the Beginning of Heuristic Design: Bridging Code and Knowledge with LLMscited by 1
- 2026Autonomous Mathematical Discovery in an Open-World Multi-Agent Environmentcited by 1
7 more
- 2026CliffSearch: Structured Agentic Co-Evolution over Theory and Code for Scientific Algorithm Discoverycited by 0
- 2026Lectures on AI for Mathematicscited by 0
- 2026CVEvolve: Autonomous Algorithm Discovery for Unstructured Scientific Data Processingcited by 0
- 2026Learning to Solve and Optimize by Evolving Codecited by 0
- 2026Algorithmic algorithm development with LLMs: A Case Study on LLM-Usage for Contraction Order Optimization in Tensor Networkscited by 0
- 2026Self-Evolving Algorithm-Design Agents: Escaping In-Context Evolutionary Stagnation via Population-Curated Policy Optimizationcited by 0
- 2026EvoDuet: Bilevel Co-Evolution of Web Searching and Task Solving for Scientific Discoverycited by 0
- 2026EvoDuet: Bilevel Co-Evolution of Web Searching and Task Solving for Scientific Discovery30 Sep 2026
- 2026Self-Evolving Algorithm-Design Agents: Escaping In-Context Evolutionary Stagnation via Population-Curated Policy Optimization30 Sep 2026
- 2026Autonomous Mathematical Discovery in an Open-World Multi-Agent Environment24 Aug 2026
- 2026Automated Discovery Has No Universally Superior Harness20 Jul 2026
- 2026NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?23 Jun 2026
- 2026Algorithmic algorithm development with LLMs: A Case Study on LLM-Usage for Contraction Order Optimization in Tensor Networks1 Jun 2026
- 2026Learning to Solve and Optimize by Evolving Code29 May 2026
- 2026Effective Harness Engineering for Algorithm Discovery with Coding Agents13 May 2026
- 2026CVEvolve: Autonomous Algorithm Discovery for Unstructured Scientific Data Processing12 May 2026
- 2026AI co-mathematician: Accelerating mathematicians with agentic AI7 May 2026
- 2026Back to the Beginning of Heuristic Design: Bridging Code and Knowledge with LLMs7 May 2026
- 2026Agentic Architect: An Agentic AI Framework for Architecture Design Exploration and Optimization28 Apr 2026
7 more
- 2026Lectures on AI for Mathematics13 Apr 2026
- 2026CliffSearch: Structured Agentic Co-Evolution over Theory and Code for Scientific Algorithm Discovery1 Apr 2026
- 2026Improving Coherence and Persistence in Agentic AI for System Optimization22 Mar 2026
- 2026Self-EvolveRec: Self-Evolving Recommender Systems with LLM-based Directional Feedback13 Feb 2026
- 2026Safety Alignment as Continual Learning: Mitigating the Alignment Tax via Orthogonal Gradient Projection8 Feb 2026
- 2025PARC: An Autonomous Self-Reflective Coding Agent for Robust Execution of Long-Horizon Tasks3 Dec 2025
- 2025Glia: A Human-Inspired AI for Automated Systems Design and Optimization31 Oct 2025
- 2026AI co-mathematician: Accelerating mathematicians with agentic AIcited by 17
- 2026NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?cited by 10
- 2026Improving Coherence and Persistence in Agentic AI for System Optimizationcited by 7
- 2026Effective Harness Engineering for Algorithm Discovery with Coding Agentscited by 6
- 2025PARC: An Autonomous Self-Reflective Coding Agent for Robust Execution of Long-Horizon Taskscited by 2
- 2026Agentic Architect: An Agentic AI Framework for Architecture Design Exploration and Optimizationcited by 2
- 2026CliffSearch: Structured Agentic Co-Evolution over Theory and Code for Scientific Algorithm Discoverycited by 0
- 2026Self-Evolving Algorithm-Design Agents: Escaping In-Context Evolutionary Stagnation via Population-Curated Policy Optimizationcited by 0
- 2026Self-Evolving Algorithm-Design Agents: Escaping In-Context Evolutionary Stagnation via Population-Curated Policy Optimization30 Sep 2026
- 2026NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?23 Jun 2026
- 2026Effective Harness Engineering for Algorithm Discovery with Coding Agents13 May 2026
- 2026AI co-mathematician: Accelerating mathematicians with agentic AI7 May 2026
- 2026Agentic Architect: An Agentic AI Framework for Architecture Design Exploration and Optimization28 Apr 2026
- 2026CliffSearch: Structured Agentic Co-Evolution over Theory and Code for Scientific Algorithm Discovery1 Apr 2026
- 2026Improving Coherence and Persistence in Agentic AI for System Optimization22 Mar 2026
- 2025PARC: An Autonomous Self-Reflective Coding Agent for Robust Execution of Long-Horizon Tasks3 Dec 2025
- 2025Glia: A Human-Inspired AI for Automated Systems Design and Optimizationcited by 16
- 2026Automated Discovery Has No Universally Superior Harnesscited by 6
- 2026Back to the Beginning of Heuristic Design: Bridging Code and Knowledge with LLMscited by 1
- 2026Autonomous Mathematical Discovery in an Open-World Multi-Agent Environmentcited by 1
- 2026Lectures on AI for Mathematicscited by 0
- 2026CVEvolve: Autonomous Algorithm Discovery for Unstructured Scientific Data Processingcited by 0
- 2026Learning to Solve and Optimize by Evolving Codecited by 0
- 2026Algorithmic algorithm development with LLMs: A Case Study on LLM-Usage for Contraction Order Optimization in Tensor Networkscited by 0
- 2026EvoDuet: Bilevel Co-Evolution of Web Searching and Task Solving for Scientific Discoverycited by 0
- 2026EvoDuet: Bilevel Co-Evolution of Web Searching and Task Solving for Scientific Discovery30 Sep 2026
- 2026Autonomous Mathematical Discovery in an Open-World Multi-Agent Environment24 Aug 2026
- 2026Automated Discovery Has No Universally Superior Harness20 Jul 2026
- 2026Algorithmic algorithm development with LLMs: A Case Study on LLM-Usage for Contraction Order Optimization in Tensor Networks1 Jun 2026
- 2026Learning to Solve and Optimize by Evolving Code29 May 2026
- 2026CVEvolve: Autonomous Algorithm Discovery for Unstructured Scientific Data Processing12 May 2026
- 2026Back to the Beginning of Heuristic Design: Bridging Code and Knowledge with LLMs7 May 2026
- 2026Lectures on AI for Mathematics13 Apr 2026
- 2025Glia: A Human-Inspired AI for Automated Systems Design and Optimization31 Oct 2025