The Structural Safety Generalization Problem.
CoRR, April, 2025
MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow.
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CoRR, January, 2025
Online Influence Campaigns: Strategies and Vulnerabilities.
CoRR, January, 2025
Emerging Vulnerabilities in Frontier Models: Multi-Turn Jailbreak Attacks.
CoRR, 2024
MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization.
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Proceedings of the International Conference for High Performance Computing, 2024
AI-Augmented Facilities: Bridging Experiment and Simulation with ML (Dagstuhl Seminar 23132).
Dagstuhl Reports, March, 2023
ProtTrans: Toward Understanding the Language of Life Through Self-Supervised Learning.
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IEEE Trans. Pattern Anal. Mach. Intell., 2022
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action.
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Int. J. High Perform. Comput. Appl., 2022
Accelerating IceCube's Photon Propagation Code with CUDA.
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Comput. Softw. Big Sci., 2022
Performance Evaluation and Acceleration of the QTensor Quantum Circuit Simulator on GPUs.
CoRR, 2022
AI Benchmarking for Science: Efforts from the MLCommons Science Working Group.
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Proceedings of the High Performance Computing. ISC High Performance 2022 International Workshops - Hamburg, Germany, May 29, 2022
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
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Int. J. High Perform. Comput. Appl., 2021
CodeTrans: Towards Cracking the Language of Silicone's Code Through Self-Supervised Deep Learning and High Performance Computing.
CoRR, 2021
NVIDIA's Cloud Native Supercomputing.
Proceedings of the Driving Scientific and Engineering Discoveries Through the Integration of Experiment, Big Data, and Modeling and Simulation, 2021
Enabling ISO Standard Languages for Complex HPC Workflows.
Proceedings of the Driving Scientific and Engineering Discoveries Through the Integration of Experiment, Big Data, and Modeling and Simulation, 2021
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads.
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Proceedings of the ICPP 2021: 50th International Conference on Parallel Processing, Lemont, IL, USA, August 9, 2021
ProtTrans: Towards Cracking the Language of Life's Code Through Self-Supervised Deep Learning and High Performance Computing.
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CoRR, 2020