The paper investigates how the scientific discovery capability of large language models (LLMs) can be traced back to their training data. By focusing on ‘monofacts’—facts that appear only once in the training set—the authors develop a theoretical framework linking monofact rates to discovery potential. Experiments in materials science and regulatory genomics show that increasing monofact rates consistently boosts discoveries across different model families, sampling strategies, and reasoning budgets, and that this effect is not solely due to training‑set diversity and can transfer across domains when paired with in‑domain data.
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. 28684v1 Announce Type: new Abstract: Existing benchmarks for scientific equation discovery are largely composed of well-known equations available in the public domain, making it difficult to determine whether a model is discovering laws from data or merely recalling answers from its training corpus.
arXiv:2606. 02632v1 Announce Type: cross Abstract: Modern Machine Learning (ML) and Artificial Intelligence (AI) models, especially large language models (LLMs), are increasingly used to generate scientific hypotheses and mechanistic explanations from observational data.
arXiv:2606. 29182v1 Announce Type: new Abstract: Open-ended scientific discovery with large language models (LLMs) increasingly operates as a long-horizon loop of hypothesis search and verification, where a reward signal guides which hypotheses to test next.
arXiv:2605. 29223v3 Announce Type: replace Abstract: The parameter counts of the most widely used large language models (LLMs) are often withheld by their developers, leaving model size -- a primary reference point for interpreting capabilities and costs -- largely undisclosed.
arXiv:2606. 07570v1 Announce Type: cross Abstract: Scientific knowledge is increasingly dispersed across vast and heterogeneous scientific literature, where important claims are often implicit, evolving, and internally debated.
arXiv:2604. 27540v2 Announce Type: replace Abstract: Scientific reasoning rarely stops at what is directly observable; it often requires uncovering hidden structure from data.
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.
arXiv:2609.37891v1 Announce Type: cross Abstract: Current pre-training datasets are derived from web crawls, with all their issues, and were not designed to support mid- and post-training pipelines--...
arXiv:2604. 10827v2 Announce Type: replace Abstract: Compute scaling for LLM reasoning trades off exploring solution approaches (\emph{breadth}) against refining promising ones (\emph{depth}), yet why a given trade-off works, and why it often fails to transfer across models, remains unclear.
arXiv:2603. 03322v2 Announce Type: replace-cross Abstract: Recent advancements in Large Language Model (LLM) agents have demonstrated remarkable potential in automatic knowledge discovery.
arXiv:2603.01092v3 Announce Type: replace-cross Abstract: Scientific discovery is constrained not only by what is true, but by what is cognitively available to researchers. Many directions are cohere...