Session <Full Schedule · Contributors · Organizations · Search ProgramWorkshop: Workshop on Artificial Intelligence and Machine Learning for Scientific Applications (AI4S)Session ChairsDong LiUniversity of California, MercedGokcen KestorBarcelona Supercomputing Center (BSC)University of California, MercedMurali EmaniArgonne National Laboratory (ANL)Event TypeWorkshopTimeMonday, 13 November 20239am - 5:30pm Location501-502Tags Artificial Intelligence/Machine Learning Registration Categories W Presentations9:00am - 10:00am AI4S – KeynotePresenterRick Stevens10:00am - 10:30am AI4S – Morning Break10:30am - 11:30am AI4S – Invited TalkPresenterAnimashree (Anima) Anandkumar11:30am - 11:50am A Comparison of Mesh-Free Differentiable Programming and Data-Driven Strategies for Optimal Control under PDE ConstraintsAuthor/PresentersRoussel Desmond Nzoyem NgueguinDavid A.W. BartonTom Deakin11:50am - 12:10pm Toward Foundation Models for Materials Science: The Open MatSci ML ToolkitAuthor/PresentersKin Long Kelvin LeeCarmelo GonzalesMatthew SpellingsMikhail GalkinSantiago MiretNalini Kumar12:10pm - 12:30pm Protein Generation via Genome-Scale Language Models with Bio-Physical ScoringAuthor/PresentersGautham DharumanLogan WardHeng MaPriyanka V. SettyOzan GokdemirSam ForemanMurali EmaniKyle HippeAlexander BraceKristopher KeipertThomas GibbsIan FosterAnima AnandkumarVenkatram VishwanathArvind Ramanathan12:30pm - 2:00pm AI4S – Lunch Break2:00pm - 2:20pm Accelerating Particle and Fluid Simulations with Differentiable and Interpretable Graph Networks for Solving Forward and Inverse ProblemsAuthor/PresentersKrishna KumarYonjin Choi2:20pm - 2:40pm Enabling Performant Thermal Conductivity Modeling with DeePMD and LAMMPS on CPUsAuthor/PresentersNariman PiroozanNalini Kumar2:40pm - 3:00pm Machine Learning Applied to Single-Molecule Activity PredictionAuthor/PresentersKendric HoodQiang Guan3:00pm - 3:30pm AI4S – Afternoon Break3:30pm - 3:50pm Tournament-Based Pretraining to Accelerate Federated LearningAuthor/PresentersMatt BaughmanNathaniel HudsonRyan ChardAndre BauerIan FosterKyle Chard3:50pm - 4:10pm Elastic Deep Learning through Resilient Collective OperationsAuthor/PresentersJiali LiGeorge BosilcaAurelien BouteillerBogdan Nicolae4:10pm - 4:30pm Toward Rapid Autonomous Electron Microscopy with Active Meta-LearningAuthor/PresentersGayathri SaranathanMartin FoltinAalap TripathyMaxim ZiatdinovAnn Mary Justine KoomthanamSuparna BhattacharyaAyana GhoshKevin RoccaprioreSreenivas Rangan SukumarPaolo Faraboschi4:30pm - 4:45pm Autotuning Apache TVM-Based Scientific Applications Using Bayesian OptimizationAuthor/PresentersXingfu WuPraveen ParamasivamValerie Taylor4:45pm - 5:00pm Enhancing Heterogeneous Federated Learning with Knowledge Extraction and Multi-Model FusionAuthor/PresentersDuy Phuong NguyenSixing YuJ. Pablo MuñozAli Jannesari5:00pm - 5:15pm Entropy-Driven Optimal Sub-Sampling of Fluid Dynamics for Developing Machine-Learned SurrogatesAuthor/PresentersWesley BrewerDaniel MartinezMuralikrishnan Gopalakrishnan MeenaAditya KashiKatarzyna BorowiecSiyan LiuChristopher PilmaierGreg BurgreenShanti Bhushan5:15pm - 5:30pm Tencoder: Tensor-Product Encoder-Decoder Architecture for Predicting Solutions of PDEs with Variable Boundary DataAuthor/PresenterAditya Kashi
