Publications associées à A smooth basis for atomistic machine learning

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New Results in Integer and Lattice Programming

Christoph Hunkenschröder

An integer program (IP) is a problem of the form

\min \{f(x) : \, Ax = b, \ l \leq x \leq u, \ x \in \Z^n\}

, where

A \in \Z^{m \times n}

b \in \Z^m

l,u \in \Z^n

, and

f: \Z^n \rightarrow \Z

is a separable convex objective function. The problem o ...

EPFL2020

A smooth basis for atomistic machine learning

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Chattez avec Graph Search

Efficient and insightful descriptors for representing molecular and material space

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit

Adaptive isogeometric methods with C-1 (truncated) hierarchical splines on planar multi-patch domains

Unified theory of atom-centered representations and message-passing machine-learning schemes

A Characterisation Of The Continuum Gaussian Free Field In Arbitrary Dimensions

Optimal radial basis for density-based atomic representations

Physics-enhanced machine learning with symmetry-adapted and long-range representations

Reduction of the sign problem near T=0 in quantum Monte Carlo simulations

New Results in Integer and Lattice Programming

New Results in Integer and Lattice Programming

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Physics-enhanced machine learning with symmetry-adapted and long-range representations

Efficient and insightful descriptors for representing molecular and material space

Unified theory of atom-centered representations and message-passing machine-learning schemes

A Characterisation Of The Continuum Gaussian Free Field In Arbitrary Dimensions

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit

Adaptive isogeometric methods with C-1 (truncated) hierarchical splines on planar multi-patch domains

Reduction of the sign problem near T=0 in quantum Monte Carlo simulations

Optimal radial basis for density-based atomic representations