69 citations · 69 across the 3 of their papers we have counts for
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PDEInvBench: A Comprehensive Dataset and Design Space Exploration of Neural Networks for PDE Inverse Problems
Divyam Goel, Nithin Chalapathi, Sanjeev Raja +1
Inverse problems in partial differential equations (PDEs) involve estimating the physical parameters of a system from observed spatiotemporal solution fields. Neural networks are w…
Action-Minimization Meets Generative Modeling: Efficient Transition Path Sampling with the Onsager-Machlup Functional
Sanjeev Raja, Martin Å Ãpka, Michael Psenka +3
Transition path sampling (TPS), which involves finding probable paths connecting two points on an energy landscape, remains a challenge due to the complexity of real-world atomisti…
Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
Sanjeev Raja, Ishan Amin, Fabian Pedregosa +1
Machine learning force fields (MLFFs) are an attractive alternative to ab-initio methods for molecular dynamics (MD) simulations. However, they can produce unstable simulations, li…