1 citations · 1 across the 2 of their papers we have counts for
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Speculative Sampling For Faster Molecular Dynamics
Arthur Kosmala, Stephan Günnemann, Meng Gao +1
Molecular dynamics (MD) is a key tool for simulating the dynamical behavior of atomic systems. However, MD is inherently serial, which makes it difficult to increase single-system…
Spatio-Spectral Graph Neural Networks
Simon Geisler, Arthur Kosmala, Daniel Herbst +1
Spatial Message Passing Graph Neural Networks (MPGNNs) are widely used for learning on graph-structured data. However, key limitations of l-step MPGNNs are that their "receptive fi…
Learning Integrable Dynamics with Action-Angle Networks
Ameya Daigavane, Arthur Kosmala, Miles Cranmer +2
Machine learning has become increasingly popular for efficiently modelling the dynamics of complex physical systems, demonstrating a capability to learn effective models for dynami…