Neural Empirical Bayes
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Abstract (arXiv)
We unify textitkernel density estimation and textitempirical Bayes and address a set of problems in unsupervised learning with a geometric interpretation of those methods, rooted in the textitconcentration of measure phenomenon. Kernel density is viewed symbolically as Xrightharpoonup Y where the random variable X is smoothed to Y= X+N(0,σ2 Id), and empirical Bayes is the machinery to denoise in a least-squares sense, which we express as X leftharpoondown Y. A learning objective is derived by combining these two, symbolically captured by X rightleftharpoons Y. Crucially, instead of using the original nonparametric estimators, we parametrize textitthe energy function with a neural network denoted by φ; at optimality, nabla φ ≈ -nabla log f where f is the density of Y. The optimization problem is abstracted as interactions of high-dimensional spheres which emerge due to the concentration of isotropic gaussians. We introduce two algorithmic frameworks based on this machinery: (i) a "walk-jump" sampling scheme that combines Langevin MCMC (walks) and empirical Bayes (jumps), and (ii) a probabilistic framework for textitassociative memory, called NEBULA, defined `a la Hopfield by the textitgradient flow of the learned energy to a set of attractors. We finish the paper by reporting the emergence of very rich "creative memories" as attractors of NEBULA for highly-overlapping spheres.
Key facts. Cited by 46 papers in the map (data through 7 Oct 2026). First posted on arXiv 6 Mar 2019.
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Citing papers per year: 2020: 2; 2021: 5; 2022: 3; 2023: 11; 2024: 13; 2025: 9; 2026: 3.
46 papers.
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- 2020Improved Techniques for Training Score-Based Generative Modelscited by 1,036
- 2022PhysDiff: Physics-Guided Human Motion Diffusion Modelcited by 365
- 2024Unlocking Guidance for Discrete State-Space Diffusion and Flow Modelscited by 124
- 2021Gradient Step Denoiser for convergent Plug-and-Playcited by 107
- 2023Generative Time Series Forecasting with Diffusion, Denoise, and Disentanglementcited by 89
- 2023Generative Skill Chaining: Long-Horizon Skill Planning with Diffusion Modelscited by 87
- 2023Diffusion Models for Time Series Applications: A Surveycited by 72
- 2021Estimating High Order Gradients of the Data Distribution by Denoisingcited by 63
- 2020Energy-Based Imitation Learningcited by 39
- 20233D molecule generation by denoising voxel gridscited by 38
- 2023Protein Discovery with Discrete Walk-Jump Samplingcited by 38
- 2023Probabilistic Adaptation of Text-to-Video Modelscited by 29
34 more
- 2024Stochastic Localization via Iterative Posterior Samplingcited by 27
- 2024Diffusion Models in textitDe Novo Drug Designcited by 26
- 2024The Rise of Diffusion Models in Time-Series Forecastingcited by 25
- 2024A Geometric Explanation of the Likelihood OOD Detection Paradoxcited by 22
- 2021Improved Autoregressive Modeling with Distribution Smoothingcited by 18
- 2024Structure-based drug design by denoising voxel gridscited by 18
- 2022Score-based Denoising Diffusion with Non-Isotropic Gaussian Noise Modelscited by 17
- 2023A Geometric Perspective on Diffusion Modelscited by 17
- 2023Chain of Log-Concave Markov Chainscited by 13
- 2023Diffusion Variational Autoencoder for Tackling Stochasticity in Multi-Step Regression Stock Price Predictioncited by 10
- 2021Multimeasurement Generative Modelscited by 8
- 2023A Comprehensive Survey on Generative Diffusion Models for Structured Datacited by 7
- 2022Denoising Deep Generative Modelscited by 6
- 2023Universal Smoothed Score Functions for Generative Modelingcited by 5
- 2024Denoising Diffusions with Optimal Transport: Localization, Curvature, and Multi-Scale Complexitycited by 5
- 2024JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensemblescited by 4
- 2025Optimal Denoising in Score-Based Generative Models: The Role of Data Regularitycited by 4
- 2024Score-based Generative Priors Guided Model-driven Network for MRI Reconstructioncited by 3
- 2024NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Librariescited by 3
- 2024Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Designcited by 3
- 2024A noise-corrected Langevin algorithm and sampling by half-denoisingcited by 3
- 2025Geometric Regularity in Deterministic Sampling Dynamics of Diffusion-based Generative Modelscited by 3
- 2024Compatible Gradient Approximations for Actor-Critic Algorithmscited by 2
- 2025Do we need equivariant models for molecule generation?cited by 2
- 2025Unified all-atom molecule generation with neural fieldscited by 2
- 2025Pharmacophore-based design by learning on voxel gridscited by 1
- 2025Training Dynamics of Learning 3D-Rotational Equivariancecited by 1
- 2026GEPC: Group-Equivariant Posterior Consistency for Out-of-Distribution Detection in Diffusion Modelscited by 1
- 2021Automatic design of novel potential 3CLpro and PLpro inhibitorscited by 0
- 2025Data-Dependent Smoothing for Protein Discovery with Walk-Jump Samplingcited by 0
- 2025Distributional Shrinkage I: Universal Denoiser Beyond Tweedie's Formulacited by 0
- 2025Distributional Shrinkage II: Higher-Order Scores Encode Brenier Mapcited by 0
- 2026Tweedie's Formulae and Diffusion Generative Models Beyond Gaussiancited by 0
- 2026Toward a mechanistic understanding of inference in visual cortex and diffusion modelscited by 0
- 2026Toward a mechanistic understanding of inference in visual cortex and diffusion models17 Jul 2026
- 2026Tweedie's Formulae and Diffusion Generative Models Beyond Gaussian19 May 2026
- 2026GEPC: Group-Equivariant Posterior Consistency for Out-of-Distribution Detection in Diffusion Models30 Jan 2026
- 2025Distributional Shrinkage II: Higher-Order Scores Encode Brenier Map10 Dec 2025
- 2025Training Dynamics of Learning 3D-Rotational Equivariance2 Dec 2025
- 2025Pharmacophore-based design by learning on voxel grids19 Nov 2025
- 2025Unified all-atom molecule generation with neural fields19 Nov 2025
- 2025Distributional Shrinkage I: Universal Denoiser Beyond Tweedie's Formula12 Nov 2025
- 2025Data-Dependent Smoothing for Protein Discovery with Walk-Jump Sampling2 Sep 2025
- 2025Do we need equivariant models for molecule generation?13 Jul 2025
- 2025Geometric Regularity in Deterministic Sampling Dynamics of Diffusion-based Generative Models11 Jun 2025
- 2025Optimal Denoising in Score-Based Generative Models: The Role of Data Regularity17 Mar 2025
34 more
- 2024Denoising Diffusions with Optimal Transport: Localization, Curvature, and Multi-Scale Complexity3 Nov 2024
- 2024JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles18 Oct 2024
- 2024A noise-corrected Langevin algorithm and sampling by half-denoising8 Oct 2024
- 2024Compatible Gradient Approximations for Actor-Critic Algorithms2 Sep 2024
- 2024Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design15 Jul 2024
- 2024NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries3 Jul 2024
- 2024Diffusion Models in textitDe Novo Drug Design7 Jun 2024
- 2024Unlocking Guidance for Discrete State-Space Diffusion and Flow Models3 Jun 2024
- 2024Structure-based drug design by denoising voxel grids7 May 2024
- 2024Score-based Generative Priors Guided Model-driven Network for MRI Reconstruction5 May 2024
- 2024A Geometric Explanation of the Likelihood OOD Detection Paradox27 Mar 2024
- 2024Stochastic Localization via Iterative Posterior Sampling16 Feb 2024
- 2024The Rise of Diffusion Models in Time-Series Forecasting5 Jan 2024
- 2023Generative Skill Chaining: Long-Horizon Skill Planning with Diffusion Models13 Oct 2023
- 2023Diffusion Variational Autoencoder for Tackling Stochasticity in Multi-Step Regression Stock Price Prediction18 Aug 2023
- 20233D molecule generation by denoising voxel grids13 Jun 2023
- 2023Protein Discovery with Discrete Walk-Jump Sampling8 Jun 2023
- 2023A Comprehensive Survey on Generative Diffusion Models for Structured Data7 Jun 2023
- 2023Probabilistic Adaptation of Text-to-Video Models2 Jun 2023
- 2023A Geometric Perspective on Diffusion Models31 May 2023
- 2023Chain of Log-Concave Markov Chains31 May 2023
- 2023Diffusion Models for Time Series Applications: A Survey1 May 2023
- 2023Universal Smoothed Score Functions for Generative Modeling21 Mar 2023
- 2023Generative Time Series Forecasting with Diffusion, Denoise, and Disentanglement8 Jan 2023
- 2022PhysDiff: Physics-Guided Human Motion Diffusion Model5 Dec 2022
- 2022Denoising Deep Generative Models30 Nov 2022
- 2022Score-based Denoising Diffusion with Non-Isotropic Gaussian Noise Models21 Oct 2022
- 2021Multimeasurement Generative Models18 Dec 2021
- 2021Estimating High Order Gradients of the Data Distribution by Denoising8 Nov 2021
- 2021Gradient Step Denoiser for convergent Plug-and-Play7 Oct 2021
- 2021Improved Autoregressive Modeling with Distribution Smoothing28 Mar 2021
- 2021Automatic design of novel potential 3CLpro and PLpro inhibitors28 Jan 2021
- 2020Improved Techniques for Training Score-Based Generative Models16 Jun 2020
- 2020Energy-Based Imitation Learning20 Apr 2020
- 2020Improved Techniques for Training Score-Based Generative Modelscited by 1,036
- 2022PhysDiff: Physics-Guided Human Motion Diffusion Modelcited by 365
- 2023Generative Skill Chaining: Long-Horizon Skill Planning with Diffusion Modelscited by 87
- 2023Diffusion Models for Time Series Applications: A Surveycited by 72
- 2024Diffusion Models in textitDe Novo Drug Designcited by 26
- 2024The Rise of Diffusion Models in Time-Series Forecastingcited by 25
- 2024Structure-based drug design by denoising voxel gridscited by 18
- 2022Score-based Denoising Diffusion with Non-Isotropic Gaussian Noise Modelscited by 17
- 2023A Geometric Perspective on Diffusion Modelscited by 17
- 2023Diffusion Variational Autoencoder for Tackling Stochasticity in Multi-Step Regression Stock Price Predictioncited by 10
- 2023A Comprehensive Survey on Generative Diffusion Models for Structured Datacited by 7
- 2024Denoising Diffusions with Optimal Transport: Localization, Curvature, and Multi-Scale Complexitycited by 5
12 most cited of 18 All 18 (JSON)
- 2026Toward a mechanistic understanding of inference in visual cortex and diffusion models17 Jul 2026
- 2026Tweedie's Formulae and Diffusion Generative Models Beyond Gaussian19 May 2026
- 2026GEPC: Group-Equivariant Posterior Consistency for Out-of-Distribution Detection in Diffusion Models30 Jan 2026
- 2025Data-Dependent Smoothing for Protein Discovery with Walk-Jump Sampling2 Sep 2025
- 2025Geometric Regularity in Deterministic Sampling Dynamics of Diffusion-based Generative Models11 Jun 2025
- 2025Optimal Denoising in Score-Based Generative Models: The Role of Data Regularity17 Mar 2025
- 2024Denoising Diffusions with Optimal Transport: Localization, Curvature, and Multi-Scale Complexity3 Nov 2024
- 2024Diffusion Models in textitDe Novo Drug Design7 Jun 2024
- 2024Structure-based drug design by denoising voxel grids7 May 2024
- 2024The Rise of Diffusion Models in Time-Series Forecasting5 Jan 2024
- 2023Generative Skill Chaining: Long-Horizon Skill Planning with Diffusion Models13 Oct 2023
- 2023Diffusion Variational Autoencoder for Tackling Stochasticity in Multi-Step Regression Stock Price Prediction18 Aug 2023
12 newest of 18 All 18 (JSON)
- 2020Energy-Based Imitation Learningcited by 39
- 2020Energy-Based Imitation Learning20 Apr 2020
- 2023Probabilistic Adaptation of Text-to-Video Modelscited by 29
- 2023Probabilistic Adaptation of Text-to-Video Models2 Jun 2023
- 2024Unlocking Guidance for Discrete State-Space Diffusion and Flow Modelscited by 124
- 2021Gradient Step Denoiser for convergent Plug-and-Playcited by 107
- 2023Generative Time Series Forecasting with Diffusion, Denoise, and Disentanglementcited by 89
- 2021Estimating High Order Gradients of the Data Distribution by Denoisingcited by 63
- 20233D molecule generation by denoising voxel gridscited by 38
- 2023Protein Discovery with Discrete Walk-Jump Samplingcited by 38
- 2024Stochastic Localization via Iterative Posterior Samplingcited by 27
- 2024A Geometric Explanation of the Likelihood OOD Detection Paradoxcited by 22
- 2021Improved Autoregressive Modeling with Distribution Smoothingcited by 18
- 2023Chain of Log-Concave Markov Chainscited by 13
- 2021Multimeasurement Generative Modelscited by 8
- 2022Denoising Deep Generative Modelscited by 6
12 most cited of 26 All 26 (JSON)
- 2025Distributional Shrinkage II: Higher-Order Scores Encode Brenier Map10 Dec 2025
- 2025Training Dynamics of Learning 3D-Rotational Equivariance2 Dec 2025
- 2025Pharmacophore-based design by learning on voxel grids19 Nov 2025
- 2025Unified all-atom molecule generation with neural fields19 Nov 2025
- 2025Distributional Shrinkage I: Universal Denoiser Beyond Tweedie's Formula12 Nov 2025
- 2025Do we need equivariant models for molecule generation?13 Jul 2025
- 2024JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles18 Oct 2024
- 2024A noise-corrected Langevin algorithm and sampling by half-denoising8 Oct 2024
- 2024Compatible Gradient Approximations for Actor-Critic Algorithms2 Sep 2024
- 2024Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design15 Jul 2024
- 2024NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries3 Jul 2024
- 2024Unlocking Guidance for Discrete State-Space Diffusion and Flow Models3 Jun 2024
12 newest of 26 All 26 (JSON)