activity
20192024
most citedFast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments

41 citations · 74 across the 5 of their papers we have counts for

collaborators

6 papers

cs.LG2024

Better by Default: Strong Pre-Tuned MLPs and Boosted Trees on Tabular Data

David Holzmüller, Léo Grinsztajn, Ingo Steinwart

For classification and regression on tabular data, the dominance of gradient-boosted decision trees (GBDTs) has recently been challenged by often much slower deep learning methods…

stat.ML2023★ 2 cited

Mind the spikes: Benign overfitting of kernels and neural networks in fixed dimension

Moritz Haas, David Holzmüller, Ulrike von Luxburg +1

The success of over-parameterized neural networks trained to near-zero training error has caused great interest in the phenomenon of benign overfitting, where estimators are statis…

cs.LG2022★ 9 cited

Utilizing Expert Features for Contrastive Learning of Time-Series Representations

Manuel Nonnenmacher, Lukas Oldenburg, Ingo Steinwart +1

We present an approach that incorporates expert knowledge for time-series representation learning. Our method employs expert features to replace the commonly used data transformati…

stat.ML2022★ 18 cited

A Framework and Benchmark for Deep Batch Active Learning for Regression

David Holzmüller, Viktor Zaverkin, Johannes Kästner +1

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively…

physics.comp-ph2021★ 41 cited

Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments

Viktor Zaverkin, David Holzmüller, Ingo Steinwart +1

Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simu…

stat.ML2019★ 4 cited

Empirical Risk Minimization in the Interpolating Regime with Application to Neural Network Learning

Nicole Mücke, Ingo Steinwart

A common strategy to train deep neural networks (DNNs) is to use very large architectures and to train them until they (almost) achieve zero training error. Empirically observed go…