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Free-form Flows: Make Any Architecture a Normalizing Flow
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abstract
Normalizing Flows are generative models that directly maximize the likelihood. Previously, the design of normalizing flows was largely constrained by the need for analytical invertibility. We overcome this constraint by a training procedure that uses an efficient estimator for the gradient of the change of variables formula. This enables any dimension-preserving neural network to serve as a generative model through maximum likelihood training. Our approach allows placing the emphasis on tailoring inductive biases precisely to the task at hand. Specifically, we achieve excellent results in molecule generation benchmarks utilizing $E(n)$-equivariant networks. Moreover, our method is competitive in an inverse problem benchmark, while employing off-the-shelf ResNet architectures.
Forward citations
Cited by 2 Pith papers
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Is Retrieval All You Need? Assessment and Emergence of Novelty in Protein Structure Generation
Full-chain structural novelty is not evidence of fold invention, because generated backbones mostly contain known domains and a zero-training retrieval baseline reproduces the same novelty profile.
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Analytic Bijections for Smooth and Interpretable Normalizing Flows
Three new analytic bijections and a radial flow architecture give globally smooth, closed-form invertible normalizing flows that match or beat spline baselines on benchmarks and improve phi^4 lattice-field sampling.
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