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20012025
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

Showing cs.LGShow all

5 papers · 1 filter

cs.LG2025★ 2 cited

Mitigating Clever Hans Strategies in Image Classifiers through Generating Counterexamples

Sidney Bender, Ole Delzer, Jan Herrmann +3

Deep learning models remain vulnerable to spurious correlations, leading to so-called Clever Hans predictors that undermine robustness even in large-scale foundation and self-super…

cs.LG2025★ 1 cited

Towards Desiderata-Driven Design of Visual Counterfactual Explainers

Sidney Bender, Jan Herrmann, Klaus-Robert Müller +1

Visual counterfactual explainers (VCEs) are a straightforward and promising approach to enhancing the transparency of image classifiers. VCEs complement other types of explanations…

cs.LG2025

TabularQGAN: A quantum generative model for tabular data synthesis

Pallavi Bhardwaj, Caitlin Jones, Lasse Dierich +1

In this paper, we introduce a novel quantum generative model for synthesizing tabular data. Synthetic data is valuable in scenarios where real-world data is scarce or private, as i…

cs.LG2023★ 2 cited

Scaling up machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points

Malte Esders, Gimmy Alex Fernandez Ramirez, Michael Gastegger +1

Idealized first-principles models of chemical plants can be inaccurate. An alternative is to fit a Machine Learning (ML) model directly to plant sensor data. We use a structured ap…

cs.LG2022★ 17 cited

Disentangled Explanations of Neural Network Predictions by Finding Relevant Subspaces

Pattarawat Chormai, Jan Herrmann, Klaus-Robert Müller +1

Explainable AI aims to overcome the black-box nature of complex ML models like neural networks by generating explanations for their predictions. Explanations often take the form of…