SCALLOP replaces Hutchinson's trace estimator with a scalable, vectorized likelihood distillation objective for F2D2 flow maps, cutting training variance and time while improving performance on molecular Boltzmann generators and image data.
Learning Energy-Based Models from Stochastic Interpolants using Spatiotemporal Differences
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abstract
Learning an energy-based model from data samples is a central problem in machine learning. Many recent and popular methods, such as denoising score matching for training energy-based diffusion models, use stochastic interpolants to corrupt data samples at different noise levels indexed by a time variable. This defines a joint density over both the data space and time, and most methods learn its energy through either spatial or temporal differences. We identify distinct failure modes for both of these approaches. To solve them, we propose Spatiotemporal Noise-Contrastive Estimation (stNCE), a framework for learning the energy through joint spatiotemporal differences. stNCE unifies many existing methods and leads to new training objectives. Experiments on images and molecules demonstrate performance competitive with state-of-the-art density estimation methods.
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cs.LG 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
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Few-Step Boltzmann Generators via Scalable Likelihood Flow Maps
SCALLOP replaces Hutchinson's trace estimator with a scalable, vectorized likelihood distillation objective for F2D2 flow maps, cutting training variance and time while improving performance on molecular Boltzmann generators and image data.