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Tag: gradients

  • Path Gradients after Flow Matching

    Path Gradients after Flow Matching arXiv:2505.10139v1 Announce Type: new Abstract: Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up Continuous Normalizing Flows (CNFs), scale them to more complex molecular systems, and minimize…

  • Weighted Average Gradients for Feature Attribution

    Weighted Average Gradients for Feature Attribution arXiv:2505.03201v1 Announce Type: new Abstract: In explainable AI, Integrated Gradients (IG) is a widely adopted technique for assessing the significance of feature attributes of the input on model outputs by evaluating contributions from a baseline input to the current input. The choice of the baseline input significantly influences the…