arXiv:2606. 03864v1 Announce Type: cross Abstract: We introduce an explainable machine-learning approach that forecasts the structural precursors of scientific breakthroughs -- the emergence and intensification of links between research concepts -- by modelling how OpenAlex concept networks evolve over time.
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.
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...
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.
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.
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.
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:2604. 19341v2 Announce Type: replace-cross Abstract: Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions.
arXiv:2606. 07712v1 Announce Type: cross Abstract: Progress in AI-driven crystal materials science has so far been carried by narrow architectures purpose-built for individual tasks -- graph neural networks for property prediction, diffusion and flow-matching models for crystal generation -- each excelling within its niche yet unable to act as a shared backbone across the full spectrum of materials problems.
The paper extends Co‑Scientist, a Gemini‑based multi‑agent system, and validates it in real‑world scientific settings. In materials science it designed a safe precursor route for MXenes and achieved single‑attempt growth of monolayer MoS₂, MoSe₂, and WS₂. In biology it predicted swarming phenotypes of engineered E. coli, and in computer science it discovered a superior inference‑time scaling architecture for HealthBench. A double‑blind study with 30 experts showed that Co‑Scientist’s reliability modules reduce hallucination and plagiarism while improving research safety.
The paper "AI in Science: Early Insights" analyzes AI’s impact on scientific work using data from 15 million Gemini interactions, 2,600 specialized AI models, and a survey of 600 scientists. It finds widespread AI adoption, complementary use of large language models and specialized tools, significant productivity gains of about seven hours per week, and a shift in research bottlenecks toward hypothesis backlog and verification needs. The study suggests AI can boost scientific productivity but its full effect depends on addressing new downstream challenges.
arXiv:2605. 22681v2 Announce Type: replace Abstract: AI systems are increasingly used to support forward-looking scientific judgment, but it remains unclear whether they can form reliable expectations about future scientific advances.
arXiv:2606. 01042v1 Announce Type: cross Abstract: Perturbation experiments are central to understanding cellular mechanisms, but remain costly and sparse, motivating prediction of gene expression responses for unobserved conditions.