SESaMo: Symmetry-Enforcing Stochastic Modulation for Normalizing Flows
Janik Kreit, Dominic Schuh, Kim Andrea Nicoli, Lena Funcke
Abstract
Deep generative models have recently garnered significant attention across various fields, from physics to chemistry, where sampling from unnormalized Boltzmann-like distributions represents a fundamental challenge. In particular, autoregressive models and normalizing flows have become prominent due to their appealing ability to yield closed-form probability densities. Moreover, it is well-established that incorporating prior knowledge—such as symmetries—into deep neural networks can substantially improve training performances. In this context, recent advances have focused on developing symmetry-equivariant generative models, achieving remarkable results. Building upon these foundations, this paper introduces Symmetry-Enforcing Stochastic Modulation (SESaMo). Similar to equivariant normalizing flows, SESaMo enables the incorporation of inductive biases (e.g., symmetries) into normalizing flows through a novel technique called stochastic modulation. This approach enhances the flexibility of the generative model by enforcing exact symmetries while, for the first time, enabling the model to learn broken symmetries during training. Our numerical experiments benchmark SESaMo in different scenarios, including an 8-Gaussian mixture model and physically relevant field theories, such as the theory and the Hubbard model.
Ask about this paper
Your agent reads all of it.
Lune indexed this paper to the last equation, along with the top-tier papers that cite it. Ask a question and the answer quotes them.
Your agent calls
Luneget_paper_fulltext
Free to start. No credit card required.
Terminal
Install the CLIlune papers fulltext 17937481-7747-44fa-b8ea-4f4b96f51c17Builds on13
- E(n) Equivariant Graph Neural NetworksVictor Garcia Satorras, Emiel Hoogeboom, Max WellingICML 2021 · 1,432 citations
- Equivariant Diffusion for Molecule Generation in 3DEmiel Hoogeboom, Victor Garcia Satorras, Clément Vignac, Max WellingICML 2022 · 865 citations
- Equivariant message passing for the prediction of tensorial properties and molecular spectraKristof Schütt, Oliver T. Unke, Michael GasteggerICML 2021 · 736 citations
- Equivariant Flows: Exact Likelihood Generative Learning for Symmetric DensitiesJonas Köhler, Leon Klein, Frank NoéICML 2020 · 330 citations
- E(n) Equivariant Normalizing FlowsVictor Garcia Satorras, Emiel Hoogeboom, Fabian Fuchs, Ingmar Posner et al.NeurIPS 2021 · 246 citations
Related papers
- Equivariant flow matchingLeon Klein, Andreas Krämer, Frank NoéNeurIPS 2023 · 169 citations
- SymDiff: Equivariant Diffusion via Stochastic SymmetrisationLeo Zhang, Kianoosh Ashouritaklimi, Yee Whye Teh, Rob CornishICLR 2025
- Scalable Equilibrium Sampling with Sequential Boltzmann GeneratorsCharlie B. Tan, Joey Bose, Chen Lin, Leon Klein et al.ICML 2025
- Amortized Sampling with Transferable Normalizing FlowsCharlie B. Tan, Majdi Hassan, Leon Klein, Saifuddin Syed et al.NeurIPS 2025 · 21 citations
- Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule GenerationAmeya Daigavane, Song Kim, Mario Geiger, Tess E. SmidtICLR 2024 · 13 citations
