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Uncertainty estimation with deep learning for rainfall–runoff modeling [PDF]
Hydrology and Earth System Sciences, 2022 Deep learning is becoming an increasingly important way to produce accurate hydrological predictions across a wide range of spatial and temporal scales.
D. Klotz +7 more
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Acknowledgment to Reviewers of Machine Learning and Knowledge Extraction in 2021
Machine Learning and Knowledge Extraction, 2022 Rigorous peer-reviews are the basis of high-quality academic publishing [...]
Machine Learning and Knowledge Extraction Editorial Office
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Acknowledgment to the Reviewers of Machine Learning and Knowledge Extraction in 2022
Machine Learning and Knowledge Extraction, 2023 High-quality academic publishing is built on rigorous peer review [...]
Machine Learning and Knowledge Extraction Editorial Office
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Flexible and efficient simulation-based inference for models of decision-making
eLife, 2022 Inferring parameters of computational models that capture experimental data is a central task in cognitive neuroscience. Bayesian statistical inference methods usually require the ability to evaluate the likelihood of the model—however, for many models ...
Jan Boelts +3 more
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SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects
Nature Communications, 2021 Current machine-learned force fields typically ignore electronic degrees of freedom. SpookyNet is a deep neural network that explicitly treats electronic degrees of freedom, closing an important remaining gap for models in quantum chemistry.
Oliver T. Unke +5 more
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Inverse design of 3d molecular structures with conditional generative neural networks
Nature Communications, 2022 The targeted discovery of molecules with specific structural and chemical properties is an open challenge in computational chemistry. Here, the authors propose a conditional generative neural network for the inverse design of 3d molecular structures.
Niklas W. A. Gebauer +4 more
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Faster and more accurate pathogenic combination predictions with VarCoPP2.0
BMC Bioinformatics, 2023 Background The prediction of potentially pathogenic variant combinations in patients remains a key task in the field of medical genetics for the understanding and detection of oligogenic/multilocus diseases.
Nassim Versbraegen +7 more
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Mathematics, 2023 Considering the worst-case scenario, the junction-tree algorithm remains the most general solution for exact MAP inference with polynomial run-time guarantees.
Alexander Bauer +2 more
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Scientific Reports, 2022 Proteins perform many essential functions in biological systems and can be successfully developed as bio-therapeutics. It is invaluable to be able to predict their properties based on a proposed sequence and structure. In this study, we developed a novel
Zichen Wang +10 more
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Artificial intelligence and the future of radiographic scoring in rheumatoid arthritis: a viewpoint
Arthritis Research & Therapy, 2022 Rheumatoid arthritis is an autoimmune condition that predominantly affects the synovial joints, causing joint destruction, pain, and disability. Historically, the standard for measuring the long-term efficacy of disease-modifying antirheumatic drugs has ...
Alix Bird +8 more
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