arXiv AI By Tarek R. Besold, Uchenna Akujuobi, Pablo Sanchez, Alessandra Toniato, Kana Maruyama, Jihun Choi, Samy Badreddine, Frederick Gifford, Daniel Evans-Yamamoto, Sucheendra K. Palaniappan, Miquel Ferrer, Kae Nagano, Iris Rossell, Tom Joy, Hatem ElShazly, Chrysa Iliopoulou, Christoph Wehner, Thiviyan Thanapalasingam, Susana Nunes, Pedro G. Cotovio, Peter Wurman, Peter Stone, Hiroaki Kitano, Michael Spranger

Hakken: Predicting future discoveries to fill the gaps in today's knowledge

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Hakken is a domain‑agnostic system that predicts and explains future scientific discoveries by combining transformer‑based models trained on temporal knowledge graphs with large language model semantic knowledge. It identifies novel relationships between scientific concepts that extend beyond the deductive hull of existing knowledge and provides explanations to help scientists assess these predictions. In the biomedical domain, Hakken set a new benchmark for time‑aware multi‑label relation prediction, generated 1.5 million high‑confidence hypotheses about aging, and experimentally confirmed two predictions that revealed previously undocumented interactions relevant to drug discovery.

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arXiv Computation and Language
4d ago

HypoKG: Evidence-Disciplined Biomedical Hypothesis Generation Beyond Endpoint Knowledge

The paper introduces HypoKG, a unified biochemical knowledge graph built from KEGG, Rhea, and UniProt, and uses it to benchmark 13,200 biomedical hypotheses generated by six large language models (LLMs). By varying the biological information provided—source enzyme only, full biological path, or source and disease endpoint—the study finds that LLMs produce higher-scoring hypotheses when given minimal information, but these are less evidence‑grounded. When supplied with the full biological path, the models generate hypotheses that align more closely with known mechanistic relationships, a phenomenon the authors term evidence‑disciplined reasoning, which is confirmed by shuffling intermediate path steps. "whyItMatters":"The study demonstrates that knowledge graphs can both uncover novel disease–enzyme pairs and guide LLMs to reason more accurately from evidence, improving the reliability of AI‑generated biomedical hypotheses."

By Dominic Okonkwo, Adetayo Okunoye, Ismailcem Budak Arpinar
arXiv AI
Sep 3

Unifying biomedical knowledge in a modern multimodal graph

OptimusKG is a multimodal biomedical labeled property graph that integrates structured and semi‑structured resources to preserve detailed, type‑specific metadata across molecular, anatomical, clinical, and environmental domains. The graph contains nearly 191,000 nodes, over 21.8 million edges, and more than 67 million property instances derived from 18 ontologies, with a top‑level schema that enforces node and edge constraints while retaining granular provenance. Validation using the PaperQA3 agent found that 70.0% of sampled edges are supported by literature evidence, and the graph offers a standardized resource for machine learning, knowledge‑grounded retrieval, and hypothesis generation in biomedical research.

By Lucas Vittor, Ayush Noori, I\~naki Arango, Joaqu\'in Polonuer, Sam Rodriques, Andrew White, David A. Clifton, Marinka Zitnik