Author

Meng Jiang

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#machine learning Preprint Sep 2026

Graph Forward Distribution Matching for Molecular Inverse Design

Achieving precise control over multiple properties without sacrificing chemical validity remains a central challenge in molecular inverse design. Existing reinforcement learning (RL) methods fine-tune graph diffusion models by treating **reverse** sampling as a sequential policy, using a single terminal reward to optim...

Yi-Han Zhu, Yu-Han Liu, Brett Savoie et al. · 0 citations

Preprint Aug 2026

ChemDIRT: A Diversified Instruction, Representation, and Task Benchmark for Robust Chemistry-LLM Evaluation

This work introduces ChemDIRT (Diversified Instruction, Representation, and Task Benchmark), a comprehensive evaluation framework designed to assess the robustness of chemical reasoning in LLMs and benchmark a diverse set of open- and closed-source LLMs.

Eric Inae, Tim Gunn, Chris Bond et al. · 0 citations