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cs.LG2026
Rethinking Molecular Text Representations for LLMs: An Empirical Study
Arun Raja, Garrett M. Morris, Kian Ming A. Chai
Large language models (LLMs) are increasingly used for molecular tasks, but it remains unclear which molecular representation to use. We present a systematic benchmark evaluating L…
cs.LG2026
Variational Learning of Fractional Posteriors
Kian Ming A. Chai, Edwin V. Bonilla
We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framewo…