This work proposes a statistically consistent and scalable estimator for score differences based on Sobolev regularization and demonstrates its effectiveness on real-world tasks, including transfer learning for ECG signal generation, where it substantially outperforms non-regularized score difference estimators in downstream classification performance.
Abstract
Estimating the difference of two Stein's score functions is a fundamental problem in generative modeling. In particular, score differences arise naturally in transfer learning, where the score difference provides the mechanism for adapting a pre-trained model to a new target distribution, and in diffusion model-based post-training methods such as discriminator guidance. Existing estimators for score differences in these settings either lack of statistical consistency or are difficult to scale up in high-dimensions. We propose a statistically consistent and scalable estimator for score differences based on Sobolev regularization, which plays a crucial role in ensuring consistency and stablizing the training in the small-sample regime. Mathematically, we establish a convergence rate of $O(n^{-\frac{s-1}{d+2s-2}})$ where $d$ is the dimension and $s$ denotes the smoothness of the underlying densities, and provide a minimax lower bound of $\tilde{\Omega}(n^{-\frac{2(s-1)}{d+2s}})$ (in mean-squared error). Empirically, our estimator exhibits significantly improved stability in small-sample regimes compared to existing methods. We demonstrate its effectiveness on real-world tasks, including transfer learning for ECG signal generation, where it substantially outperforms non-regularized score difference estimators in downstream classification performance.
Diffusion models (DMs) are a state-of-the-art generative method to approximately sample from an unknown distribution. Their training and evaluation primarily rely on an Evidence Lower Bound (ELBO), which relates the Kullback-Leibler (KL) divergence of model samples to the score matching loss along the path, which serves as a tractable surrogate. The difference between sample quality and the score matching loss produced by this bound leads to the \emph{score matching gap}, which is known to be tight in the worst-case but not descriptive of sample quality in general. In this work, we provide a theoretical analysis of this gap, developing tighter bounds for three metrics: KL divergence, reverse KL divergence, and Wasserstein distance, effectively exploiting the regularity of the class of score estimators. Our results suggest that the quality of the score approximation has more impact on closing the score matching gap for low noise scales. To obtain these bounds, our key technical insight is to exploit the contraction properties of the backward processes. In particular, we rely on entropy flows, logarithmic Sobolev inequalities and reflection couplings, rigorously linking the ergodicity of the Langevin diffusion to the score matching gap problem.
Benjamin Dupuis, Tyler Farghly, Maxime Haddouche et al.· 0 citations
Modern score-based generative models have achieved remarkable empirical success in high-dimensional tasks such as image, audio, and video synthesis. These models reduce distribution learning to a sequence of regression problems that, if solved exactly on finite data, would ultimately reproduce the training samples. Their ability to generalize must therefore arise from the implicit or explicit regularization during training. In this work, we develop a generative counterpart to the theory of benign overfitting and algorithmic regularization for overparameterized neural networks in the supervised lazy-training regime. We study denoising score matching in a vector-valued reproducing kernel Hilbert space with an inner-product kernel. In the proportional high-dimensional regime $n\asymp d$, we derive exact risk trajectories under gradient flow training. These trajectories exhibit three phases governed by qualitatively distinct estimators: a spectral estimator that generalizes, a pure-noise score with localized peaks that interpolate the training objective, and an empirical Bayes estimator that memorizes the data. We then analyze how these estimators combine along the reverse-time SDE and characterize the distribution of the resulting samples. The analysis reveals familiar mechanisms from supervised learning, including kernel linearization and self-induced regularization from the nonlinear part of the kernel, but also reveals a distinct phenomenology specific to generative modeling.
Hugo Latourelle-Vigeant, Sinho Chewi, Aram-Alexandre Pooladian et al.· 0 citations
We propose a conditioning mechanism for diffusion models based on multi-speed joint diffusion of the target and the condition. The mechanism learns an unconditional joint score network and enforces conditioning at inference via a plug-in correction term. The plug-in term separates the conditioning contribution from the learned unconditional dynamics, offering a transparent view of how the condition steers generation of the target distribution. Building on this, we derive explicit conditional reverse-time SDEs and approximate probability-flow ODEs, enabling principled and directly comparable conditional samplers. To reduce the induced ODE--SDE discrepancy, we introduce a log-Fokker--Planck residual regularization that improves ODE sampling quality. Experiments on conditional image generation tasks demonstrate competitive performance and support the effectiveness of the plug-in conditioning view. Additional ODE--SDE comparison experiments show that the log-Fokker--Planck residual regularization improves deterministic ODE sampling.
Libo Chen, Souvik Ghosh, Teo Deveney et al.· 0 citations
This work establishes a minimax lower bound under the score-entropy loss, and proposes an MLE-based thresholding estimator that matches this lower bound up to constant and polylogarithmic factors that depend on neighboring density ratios.
Numerical experiments demonstrate that the bilevel RKHS method provides a more stable and competitive alternative to classical L-curve and generalized cross-validation strategies and that the adaptive RKHS norm is more accurate and robust than Lρ2- and ℓ2-norms for regularization.
Covariate shift often occurs because, in many real applications, the source and the target observations may be generated from different distributions. In this case, the standard metric under the source distribution is not appropriate. This paper considers deep neural network estimators for nonparametric quantile and Huber regression under covariate shift and from dependent observations. We deal with a generalized Bernstein-type inequality that is satisfied by many classical models, including i.i.d. observations, $\phi$-mixing, strong mixing, and $\mathcal{C}$-mixing processes. To perform the covariate shift phenomenon, we propose a sparse-penalized deep neural network (SPDNN) estimator that takes into account the discrepancy between the source and target distributions of the data. When the density ratio (between the source and target distributions of the covariate) is unknown, a two steps pre-training procedure is carried out: the first step is devoted to the construction of a least squares SPDNN estimator of the density ratio; which is used in the second step to perform a pre-training reweighted SPDNN estimator of the regression function. For both the quantile and the Huber regression, non-asymptotic error bounds of the proposed SPDNN estimators are established in the class of H\"older smooth functions. These estimators can adaptively attain (up to a logarithmic factor) the minimax optimal convergence rate from i.i.d. data as well as from several classical time series models.