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Viktor Zaverkin

Fast, Modular, and Differentiable Framework for Machine Learning-Enhanced Molecular Simulations

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Mar 26, 2025
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Geometric Kolmogorov-Arnold Superposition Theorem

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Feb 23, 2025
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Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks

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Feb 20, 2025
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Adaptive Width Neural Networks

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Jan 27, 2025
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Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing

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May 23, 2024
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Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks

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Feb 03, 2024
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Adaptive Message Passing: A General Framework to Mitigate Oversmoothing, Oversquashing, and Underreaching

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Dec 27, 2023
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Thermally Averaged Magnetic Anisotropy Tensors via Machine Learning Based on Gaussian Moments

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Dec 03, 2023
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Predicting Properties of Periodic Systems from Cluster Data: A Case Study of Liquid Water

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Dec 03, 2023
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Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials

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Dec 03, 2023
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