AI-Assisted Scientific Research

Latest papers 162

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  1. STAR-VAE: A Scalable Latent-Variable Transformer for Controllable Molecular Generation

    Nov 4, 2025Bum Chul Kwon, Ben Shapira, Moshiko Raboh +7Molecular OptimizationTransformer

  2. Idea2Plan: Exploring AI-Powered Research Planning

    Oct 28, 2025Jin Huang, Silviu Cucerzan, Sujay Kumar Jauhar +1LLM EvaluationLLM-as-a-Judge

  3. APEX: Approximate-but-exhaustive search for ultra-large combinatorial synthesis libraries

    Oct 28, 2025Aryan Pedawi, Jordi Silvestre-Ryan, Bradley Worley +5Surrogate-Assisted OptimizationAI-Assisted Scientific Research

  4. Towards AI-Assisted Research Writing: Benchmarking LLMs for AI/ML Introduction Generation

    Aug 19, 2025Krishna Garg, Firoz Shaik, Sambaran Bandyopadhyay +1LLM EvaluationLanguage Model Generation Evaluation

  5. A Large Scale Investigation of Scaling Limits in Chemical Language Models

    Aug 19, 2025Roshan Balaji, Kamran Chitsaz, Quentin Fournier +2Language Model Scaling LawsAI-Assisted Scientific Research

  6. Large Language Models Transform Organic Synthesis From Reaction Prediction to Automation

    Aug 7, 2025Kartar Kumar, Rajesh Kumar, Nikesh LagunAI-Assisted Scientific ResearchLaboratory Automation

  7. AI Mathematician: Towards Fully Automated Frontier Mathematical Research

    May 28, 2025Yuanhang Liu, Yanxing Huang, Yanqiao Wang +2AI-Assisted Scientific ResearchMathematical Reasoning

  8. Large language models reshape the language of science

    Apr 10, 2025Dingkang Lin, Naixuan Zhao, Dan Tian +1AI-Assisted Scientific ResearchScientific Communication

  9. MARS: A neurosymbolic approach for interpretable drug discovery

    Oct 2, 2024Lauren Nicole DeLong, Yojana Gadiya, Paola Galdi +2Interpretable MLAI-Assisted Scientific Research

  10. Small Molecule Optimization with Large Language Models

    Jul 26, 2024Philipp Guevorguian, Menua Bedrosian, Tigran Fahradyan +3Molecular OptimizationEvolutionary Optimization

  11. Generating Interesting Scientific Ideas using Knowledge Graphs and LLMs: Evaluations with 100 Research Group Leaders

    May 27, 2024Xuemei Gu, Mario KrennAI-Assisted Scientific ResearchScientific Hypothesis Generation

  12. VALG: An Agentic System for ML Theory Research

    Date pendingDechen Zhang, Xuan Tang, Xinxiang Yin +3Automated Theorem ProvingAI-Assisted Scientific Research