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ChemHyperMag: Physics-informed magnetic hypergraph learning improves molecular A

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1 SIGNALFIRST DETECTED 23 July 2026
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16 Jul
Improving Molecular Property Prediction in Small Language Models Using Graph-based Tools

arXiv:2607.13115v1 Announce Type: new Abstract: Small language models (SLMs) have shown promise for zero-shot molecular property prediction from SMILES strings, yet they often

REPORT · HOW · ArXiv CS.AIOPEN STORY
7 May
Meta-LegNet: A Transferable and Interpretable Framework for Surface Adsorption Prediction via Self-Defined Adsorption-Environment Learning

arXiv:2605.04102v1 Announce Type: cross Abstract: A central challenge in computational catalysis is the identification of low-energy and chemically plausible adsorption

REPORT · HOW · ArXiv CS.AIOPEN STORY
20 Mar
HypeMed: Enhancing Medication Recommendations with Hypergraph-Based Patient Relationships

arXiv:2603.18459v1 Announce Type: cross Abstract: Medication recommendations aim to generate safe and effective medication sets from health records. However, accurately

REPORT · WHAT · ArXiv CS.AIOPEN STORY
20 Mar
MolRGen: A Training and Evaluation Setting for De Novo Molecular Generation with Reasonning Models

arXiv:2603.18256v1 Announce Type: cross Abstract: Recent advances in reasoning-based large language models (LLMs) have demonstrated substantial improvements in complex

REPORT · HOW · ArXiv CS.AIOPEN STORY
20 Mar
CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug Interactions

arXiv:2403.17210v3 Announce Type: replace-cross Abstract: Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one

REPORT · WHEN · ArXiv CS.AIOPEN STORY
20 Mar
AI4S-SDS: A Neuro-Symbolic Solvent Design System via Sparse MCTS and Differentiable Physics Alignment

arXiv:2603.03686v2 Announce Type: replace Abstract: Automated design of chemical formulations is a cornerstone of materials science, yet it requires navigating a high-dimensional

REPORT · HOW · ArXiv CS.AIOPEN STORY
13 Apr
MolPaQ: Modular Quantum-Classical Patch Learning for Interpretable Molecular Generation

arXiv:2604.08575v1 Announce Type: cross Abstract: Molecular generative models must jointly ensure validity, diversity, and property control, yet existing approaches typically

REPORT · HOW · ArXiv CS.AIOPEN STORY
24 Mar
Multi-RF Fusion with Multi-GNN Blending for Molecular Property Prediction

arXiv:2603.20724v1 Announce Type: new Abstract: Multi-RF Fusion achieves a test ROC-AUC of 0.8476 +/- 0.0002 on ogbg-molhiv (10 seeds), placing #1 on the OGB leaderboard ahead of

REPORT · HOW · ArXiv CS.AIOPEN STORY
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