arXiv:2606. 10587v1 Announce Type: cross Abstract: Large language models (LLMs) are on the rise for accelerating scientific discovery, most recently in advanced tasks such as generating valid scientific hypotheses.
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.
arXiv:2602. 06448v2 Announce Type: replace-cross Abstract: Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors.
arXiv:2609.40340v1 Announce Type: new Abstract: Evolutionary search with large language models (LLMs) can stall when progress requires external knowledge the model lacks. Supplying relevant documents...
arXiv:2606. 26728v1 Announce Type: new Abstract: Scientific discovery is fundamentally an optimization problem, defined by a vast "state space" of theories and experiments, and an evaluation criterion based on quality, novelty, and validity.
Evolutionary search with large language models (LLMs) can stall when progress requires external knowledge the model lacks. Supplying relevant documents helps, but simply adding web search tool can kee...
arXiv:2609.00023v1 Announce Type: cross Abstract: In this paper, we introduce ES-AHD, a novel framework that fundamentally integrates Evolution Strategy (ES) into Large Language Model (LLM)-driven Au...
arXiv:2606. 29082v1 Announce Type: cross Abstract: Would experience designing faster GPU kernels also help close in on a long-standing open mathematical conjecture?
arXiv:2608. 15669v1 Announce Type: new Abstract: Scientific discovery often involves optimising expensive-to-evaluate objectives over vast, structured, and open-ended hypothesis spaces, such as molecules, protein sequences, and computer programs.
Scientific discovery is fundamentally an optimization problem, defined by a vast "state space" of theories and experiments, and an evaluation criterion based on quality, novelty, and validity. Large language models (LLMs) have enabled automated exploration of this space, but we argue that simultaneous modification of the evaluation criteria is equally important.
arXiv:2604. 19341v2 Announce Type: replace-cross Abstract: Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions.
arXiv:2608. 05651v1 Announce Type: cross Abstract: Large language model (LLM)-driven evolution has shown promise for program search and algorithm discovery, but relying on strong models throughout long evolutionary runs is costly.
The paper introduces Mol-E, an evolutionary algorithm that leverages large language models trained on molecular data to generate candidate molecules. Mol-E achieves state‑of‑the‑art performance on the Practical Molecular Optimization benchmark, scoring 17.500 in the task‑agnostic regime and 20.551 in the task‑informed regime. It also outperforms baseline methods in multi‑property optimization tasks involving docking against DRD2, MK2, and AChE.