Publications
2026
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WELP: Weighted Ensemble in the LooP for Committor LearningNeurIPS, 2026
BibTeX
@inproceedings{chen2026welp, title={{WELP}: Weighted Ensemble in the {LooP} for Committor Learning}, author={Chen, Jacky and Aggarwal, Rishal and Koes, David Ryan}, booktitle={Advances in Neural Information Processing Systems}, year={2026} } -
PRX Life, 2026Paper bioRxiv
BibTeX
@article{sarma2026extract, title={Can We Extract Physics-like Energies from Generative Protein Diffusion Models?}, author={Sarma, Sudeep and Truscott, Harrison and Xu, Da and Reid, Kendall and Chu, Lee-Shin and Chen, Jacky and Gray, Jeffrey J.}, journal={PRX Life}, year={2026}, doi={10.1103/m7qr-gnjc} }
2025
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NeurIPS, 2025Paper arXiv Code
BibTeX
@inproceedings{aggarwal2025boltznce, title={{BoltzNCE}: Learning Likelihoods for {Boltzmann} Generation with Stochastic Interpolants and Noise Contrastive Estimation}, author={Aggarwal, Rishal and Chen, Jacky and Boffi, Nicholas and Koes, David}, booktitle={Advances in Neural Information Processing Systems}, volume={38}, pages={167195--167227}, year={2025}, doi={10.52202/085713-5574} } -
Journal of Chemical Information and Modeling, 2025Paper ChemRxiv
BibTeX
@article{chen2025data, title={Data Scaling and Generalization Insights for Medicinal Chemistry Deep Learning Models}, author={Chen, Jacky and Chung, Yunsie and Tynan, Jonathan and Cheng, Chen and Yang, Song and Cheng, Alan C.}, journal={Journal of Chemical Information and Modeling}, volume={65}, number={12}, pages={5887--5898}, year={2025}, publisher={American Chemical Society}, doi={10.1021/acs.jcim.5c00538} }
2023
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medRxiv, 2023Paper
BibTeX
@article{chen2023unsupervised, title={Unsupervised Machine Learning Unveil Easily Identifiable Subphenotypes of {COVID-19} With Differing Disease Trajectories}, author={Chen, Jacky and Hsu, Jocelyn and Szewc, Alexandra and Balucini, Clotilde and Azad, Tej D. and Gong, Kirby and Kim, Han and Stevens, Robert D.}, journal={medRxiv}, year={2023}, doi={10.1101/2023.04.07.23288152} }