arXiv:2606. 03919v1 Announce Type: cross Abstract: Understanding and anticipating scientific change requires models that distinguish between endogenous consolidation and exogenous diffusion of scientific concepts.
By Thomas Maillart, Thibaut Chataing, David Dosu, Paul Bagourd, Julian Jang-Jaccard, Alain Mermoud
arXiv:2609.22174v1 Announce Type: cross
Abstract: Anticipating emerging research directions is a critical goal of AI-assisted science. Existing methods mainly predict which concepts will co-occur in...
By Jingze Wang, Fred Sun, Shangqi Guo
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
The paper introduces NSA-Bench, a public benchmark for predicting nano self‑assembly (NSA) between molecular pairs, framing it as a binary classification problem. It presents NSA‑Net, a multimodal learning framework that fuses graph topology, sequence semantics, and physicochemical descriptors to predict self‑assembly, achieving high ROC‑AUC scores and outperforming existing baselines. The study also demonstrates how NSA‑Net’s predictions can guide experimental formulation refinement through an NSA‑Agent case study.
By Quan Hao, Mengyue Fan, Zifan Dong, Jianduo Zhao, Changhao Xiao, Shangqing Jiao, Hao Zhang, Yudong Wang, Fei Xia, Jigang Wang, Liguo Zhang, Chong Qiu
arXiv:2607. 12474v1 Announce Type: new Abstract: Recent advances in foundation models have transformed AI for Science, enabling remarkably accurate predictive performance across domains ranging from protein folding to weather forecasting.
By Ingmar Posner, Anson Lei, Bernhard Sch\"olkopf
arXiv:2603. 03322v2 Announce Type: replace-cross Abstract: Recent advancements in Large Language Model (LLM) agents have demonstrated remarkable potential in automatic knowledge discovery.
By Chaoqun Yang, Xinyu Lin, Shulin Li, Wenjie Wang, Ruihan Guo, Fuli Feng, Tat-Seng Chua