Ensembits creates a discrete vocabulary for protein conformational ensembles that outperforms static tokenizers on dynamics prediction tasks and enables ensemble token prediction from single structures via distillation.
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Adam: A Method for Stochastic Optimization
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abstract
We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.
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- abstract We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little
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3DSS is the first differentiable surface splatting renderer that recovers shape, spatially-varying BRDF materials, and HDR illumination from multi-view images via a coverage-based compositing model derived from reconstruction kernels.
H^{-1} norm equivalence to expected squared evaluations on domain-dependent random test functions enables SV-PINNs that recover accurate solutions to challenging second-order elliptic PDEs faster than standard PINNs.
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MMGait provides a new multi-sensor gait dataset and OmniGait baseline to support single-modal, cross-modal, and unified multi-modal person identification from walking patterns.
Neural simulation-based inference on unbinned top-quark pair data at 13 TeV yields improved gluon PDF precision over traditional binned analyses while incorporating experimental and theoretical uncertainties.
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The paper introduces the CMCC-ReID task, constructs the SYSU-CMCC benchmark dataset, and proposes the PIA network with disentangling and prototype modules that outperforms prior methods on combined modality and clothing variations.
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