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4 papers · 1 filter
Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion
Yongchan Hong, Defu Cao, Wenjin Liu +6
Accurate protein-ligand binding affinity prediction is central to computational drug discovery, yet modern docking engines frequently disagree without indicating which prediction t…
Bottom-up Iterative Anomalous Diffusion Detector (BI-ADD)
Junwoo Park, Nataliya Sokolovska, Clément Cabriel +2
In recent years, the segmentation of short molecular trajectories with varying diffusive properties has drawn particular attention of researchers, since it allows studying the dyna…
Deep Learning Approaches for Dynamic Mechanical Analysis of Viscoelastic Fiber Composites
Victor Hoffmann, Ilias Nahmed, Parisa Rastin +2
The increased adoption of reinforced polymer (RP) composite materials, driven by eco-design standards, calls for a fine balance between lightness, stiffness, and effective vibratio…
Uniform Risk Bounds for Learning with Dependent Data Sequences
Fabien Lauer
This paper extends standard results from learning theory with independent data to sequences of dependent data. Contrary to most of the literature, we do not rely on mixing argument…