arXiv Machine Learning

SCoR: A Hierarchical Framework for Forecasting Relations Between Scientific Concepts

arXiv AI
Sep 17

Time-Aligned Evolving Concept Graphs for Scientific Relation Forecasting

The paper introduces a time‑aligned evolving concept graph framework that jointly models semantic and structural changes in scientific literature. By treating dated papers as shared update events, it reconstructs both semantic and structural states from the same publication history for each prediction time, and fuses these states at the pair level to forecast co‑occurrence, relation formation, and conditional relation type. Experiments on a large graph of 187,848 papers and 270,687 concepts show that refreshing context with graph updates boosts mean relation AUPRC by 16.6% and raises mean relation AUROC from 0.9290 to 0.9722.

By Fred Sun, Jingze Wang, Minkun Xu, Shangqi Guo
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 Computation and Language
Sep 3

HyGRAIL: Cost-Aware and Evidence-Grounded Scientific Hypothesis Discovery over Knowledge Graphs

HyGRAIL is a framework for discovering scientific hypotheses in incomplete knowledge graphs by combining a graph neural network (GNN) triage with large language model (LLM) review. The GNN scores candidate hypotheses and routes only ambiguous cases to the LLM, which receives structured evidence from the graph converted into natural language. Experiments on MatKG show HyGRAIL achieves the highest F1 score, improves over baselines, and cuts LLM calls by over 54%.

By Yihang Sun, Zhihan Zhu, Zhiyuan Jiang, Jingyi Ge, Zixuan Li, Jiaxuan You
arXiv AI
5d ago

Learning to Ideate for Scientific Impact

The paper "Learning to Ideate for Scientific Impact" explores using delayed signals of scientific uptake—specifically citation-normalized impact—as feedback to steer large language models toward generating high‑impact research ideas. The authors build a dataset of over 100,000 computer science papers, train a reward model to predict citation impact from goal‑idea pairs, and align an idea generator via supervised fine‑tuning and reinforcement learning. Evaluation with a reference‑grounded protocol shows that the RL‑tuned model consistently produces ideas with higher estimated impact than baseline models.

By Shubham Kale, Aniketh Garikaparthi, Manasi Patwardhan