arXiv AI

Learning Scientific Trajectories to Predict Future Biomedical Discoveries

ForeSCITE is a framework that uses large language models to analyze temporal patterns in biomedical conclusions. It clusters published conclusions, estimates a direction that separates earlier from more recent findings within each cluster, and projects conclusion embeddings along these directions. The projected coordinates are decoded into natural‑language hypotheses, and retrospective evaluations show that ForeSCITE expands semantic coverage, introduces novel biomedical entity pairs, and identifies plausible CAR‑T hypotheses that experts deem biologically relevant.

arXiv Machine Learning
Sep 18

Pretrained Medical Representations for the Practical Screening of Drug Repositioning Candidates

The paper introduces a unified pre‑training framework for medical representations that incorporates hierarchical sub‑token aggregation, partial masking, and cross‑reference mechanisms to better capture the structure of medical codes. The resulting model outperforms existing BERT‑based approaches on pre‑training tasks and downstream clinical predictions, such as dementia onset and hospitalization. An in‑silico drug repositioning study for Alzheimer’s disease demonstrates the framework’s ability to rediscover known drugs and prioritize new hypotheses without external literature, establishing a workflow for hypothesis generation and prioritization based on observational data.

By Yuhei Fujioka, Daitaro Misawa, Shingo Fukuma
arXiv AI
Sep 7

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

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.

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
arXiv Machine Learning
4d ago

Do Language Models Know What Compelling Scientific Evidence Looks Like?

The paper introduces EDB-Bio, a benchmark of 96,000 episodes drawn from real biological studies—drug‑perturbation transcriptomics, CRISPR screens, and GWAS—to test whether language models can weigh empirical evidence and predict hypothesis truth. Initial results show that both open‑weight and frontier models are systematically underconfident, matching a trivial base‑rate forecaster in Brier score, but post‑training with proper scoring rules improves calibration and discrimination. In a downstream experiment‑selection task, a calibrated model (Ibis0) outperforms the best frontier model by 2.5×, and Bayes‑factor analysis reveals how models update beliefs, align with expert relevance judgments, and expose biases.

By Conor Igoe, Gabriel Grand, Zane Koch, Albert Bou, Eli Moss, Michaela M. Hinks, Samuel G. Rodriques, Andrew White, Siddharth Narayanan
arXiv AI
Sep 2

Medical Causal Hypothesis Verification with Large Language Models

The paper "Medical Causal Hypothesis Verification with Large Language Models" reports a small-scale study evaluating eight LLMs on 17 medical causal hypotheses. The authors introduce an evaluation framework and annotate 1,067 evidence points across six criteria, using nine metrics to assess performance. Results show that while LLMs have strong recall, they frequently fail to provide valid scientific articles, evidence, or reject unsupported hypotheses, revealing a critical limitation for their use in healthcare.

By Safiyyah Ahmed, Abrar Ansari, Md Aminul Islam, Elena Zheleva
arXiv AI
Sep 10

Building evidence-based knowledge bases from full-text literature for disease-specific biomedical reasoning

EvidenceNet is a disease‑specific dataset that transforms full‑text biomedical literature into structured evidence records and graph representations, preserving study design, provenance, and quantitative support. Using an LLM‑assisted pipeline, it extracts experimentally grounded findings, normalizes entities, scores evidence quality, and links related records via typed semantic relations. The released subsets—EvidenceNet‑HCC and EvidenceNet‑CRC—contain thousands of evidence records and richly connected graphs, with high extraction and relation‑type accuracy, enabling retrieval‑augmented question answering and graph‑based tasks such as link prediction and target prioritization.

By Chang Zong, Jinyu Chen, Sicheng Lv, Si-tu Xue, Huilin Zheng, Jian Wan, Lei Zhang
arXiv Machine Learning
4d ago

Automatic Construction of Strong Simple Baselines

The paper proposes using large language models to automatically build simple baselines for deep learning studies in the physical and life sciences. By assembling 36 supervised classification and regression tasks from high‑impact journals, the authors show that the generated baselines recover a median of 95.5% of the performance gap between a trivial predictor and the deep learning model, and in 12 studies even match or surpass the model’s performance. The work also explores how baseline quality varies across domains, venues, and the influence of test‑time compute and contextual information.

By Caleb N. Ellington, Jiaqi Wang, Sohan Addagudi, Elijah Cole
arXiv AI
Oct 7

Aligning LLMs with Biomedical Knowledge using Balanced Fine-Tuning

arXiv:2511.21075v4 Announce Type: replace-cross Abstract: Engineering LLMs to accelerate life sciences research requires a robust alignment with biomedical knowledge. We observe that biomedical text...

By Zhenchao Tang, Fang Wang, Haohuai He, Jiale Zhou, Tianxu Lv, Jun Zhu, Shouzhi Chen, Minghao Yang, Yu Wang, Jiayang Wu, Yidong Song, Yaokun Li, Jiehui Huang, Jun Zhou, Bing He, Jianhua Yao