Showing 1–20 of 189 results
/ Date/ Name
Oct 20, 2011Regression for sets of polynomial equationsSep 29, 2022Accurate global machine learning force fields for molecules with hundreds of atomsMay 17, 2022Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular SimulationsJan 2, 2022Super-resolution in Molecular Dynamics Trajectory Reconstruction with Bi-Directional Neural NetworksAug 15, 2019Resolving challenges in deep learning-based analyses of histopathological images using explanation methodsApr 11, 2019Black-Box Decision based Adversarial Attack with Symmetric $α$-stable DistributionJun 6, 2019Deep Semi-Supervised Anomaly DetectionAug 10, 2020Molecular Force Fields with Gradient-Domain Machine Learning (GDML): Comparison and Synergies with Classical Force FieldsJan 19, 2019Molecular Force Fields with Gradient-Domain Machine Learning: Construction and Application to Dynamics of Small Molecules with Coupled Cluster ForcesJul 20, 2020Fairwashing Explanations with Off-Manifold DetergentJun 18, 2020Dynamical Strengthening of Covalent and Non-Covalent Molecular Interactions by Nuclear Quantum Effects at Finite TemperatureFeb 12, 2021Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical SystemsNov 2, 2021Efficient Hierarchical Bayesian Inference for Spatio-temporal Regression Models in NeuroimagingJun 5, 2020Higher-Order Explanations of Graph Neural Networks via Relevant WalksSep 25, 2015Validity of time reversal for testing Granger causalityAug 28, 2017Explainable Artificial Intelligence: Understanding, Visualizing and Interpreting Deep Learning ModelsDec 17, 2017SchNet - a deep learning architecture for molecules and materialsJun 22, 2017Explaining Recurrent Neural Network Predictions in Sentiment AnalysisApr 4, 2016Layer-wise Relevance Propagation for Neural Networks with Local Renormalization LayersJan 16, 2015Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals