Accurate global machine learning force fields for molecules with hundreds of atoms
Global machine learning force fields, with the capacity to capture collective interactions in
molecular systems, now scale up to a few dozen atoms due to considerable growth of model …
molecular systems, now scale up to a few dozen atoms due to considerable growth of model …
Randomized numerical linear algebra: Foundations and algorithms
This survey describes probabilistic algorithms for linear algebraic computations, such as
factorizing matrices and solving linear systems. It focuses on techniques that have a proven …
factorizing matrices and solving linear systems. It focuses on techniques that have a proven …
Random features for kernel approximation: A survey on algorithms, theory, and beyond
The class of random features is one of the most popular techniques to speed up kernel
methods in large-scale problems. Related works have been recognized by the NeurIPS Test …
methods in large-scale problems. Related works have been recognized by the NeurIPS Test …
Towards a unified analysis of random Fourier features
Random Fourier features is a widely used, simple, and effective technique for scaling up
kernel methods. The existing theoretical analysis of the approach, however, remains …
kernel methods. The existing theoretical analysis of the approach, however, remains …
Randomized numerical linear algebra: A perspective on the field with an eye to software
Randomized numerical linear algebra-RandNLA, for short-concerns the use of
randomization as a resource to develop improved algorithms for large-scale linear algebra …
randomization as a resource to develop improved algorithms for large-scale linear algebra …
Determinantal point processes in randomized numerical linear algebra
Randomized Numerical Linear Algebra (RandNLA) is an area which uses randomness,
most notably random sampling and random projection methods, to develop improved …
most notably random sampling and random projection methods, to develop improved …
Randomly pivoted Cholesky: Practical approximation of a kernel matrix with few entry evaluations
The randomly pivoted Cholesky algorithm (RPCholesky) computes a factorized rank‐kk
approximation of an N× NN*N positive‐semidefinite (psd) matrix. RPCholesky requires only …
approximation of an N× NN*N positive‐semidefinite (psd) matrix. RPCholesky requires only …
Massively scalable Sinkhorn distances via the Nyström method
The Sinkhorn" distance," a variant of the Wasserstein distance with entropic regularization, is
an increasingly popular tool in machine learning and statistical inference. However, the time …
an increasingly popular tool in machine learning and statistical inference. However, the time …
Learning with sgd and random features
Sketching and stochastic gradient methods are arguably the most common techniques to
derive efficient large scale learning algorithms. In this paper, we investigate their application …
derive efficient large scale learning algorithms. In this paper, we investigate their application …
Estimating Koopman operators with sketching to provably learn large scale dynamical systems
The theory of Koopman operators allows to deploy non-parametric machine learning
algorithms to predict and analyze complex dynamical systems. Estimators such as principal …
algorithms to predict and analyze complex dynamical systems. Estimators such as principal …