Score-Based Generative Modeling

Many applications in statistics, economics, and physics require sampling from high-dimensional categorical distributions with local dependence structures. Examples include finite memory language models, Ising and Potts systems in statistical physics and protein folding, etc. In modern machine learning, discrete diffusions have emerged as a flexible approach for sampling such data, with strong empirical performance. Motivated by this, we develop learning methods with end-to-end sample complexity bounds for discrete diffusion with uniform noising under local dependence, which we model through low order Markov random fields (MRFs). Our main technical insight is a new \emph{pinning decomposition} of the discrete score. It shows that unlike in continuous diffusions, the score decomposes into components where the dependence on time separates multiplicatively from the dependence on the target. Building on this decomposition, we propose a \emph{weight-sharing neural score learner} and combine it with $τ$-leaping to obtain an end-to-end sampling procedure. Rather than treating score-learning error as a black-box input, as is common in existing sampling analyses, we study the score learning error from finite data and derive optimal sampling guarantees with explicit dependence on the vocabulary size, the interaction order of the MRF, and the sample size. Moreover, our strategy trains a single score network across uniform noise levels while leaving the sampling discretization to be chosen at inference-time. This allows the same trained model to trade accuracy for computational cost as inference-time budgets vary. Numerical experiments on Potts, Ising, and tree-structured models show that weight-sharing score networks outperform fully connected ones for sampling long sequences.

Score-based generative models generate new samples by integrating a time-dependent drift that carries Gaussian noise onto the target distribution. In practice this drift is modeled by a neural network, trained on a loss integrated over time $t$ with a weighting schedule $w(t)$. Along the backward dynamics, and for multi-modal distributions, trajectories commit to modes of the target within a narrow time window, the \textit{speciation time}. In this work, focusing on high-dimensional data, we decompose the integrated loss into its single-time contributions and analyze each at fixed signal-to-noise ratio $Λ(t)$: we show that $Λ(t)$ sets the rate at which each feature of a multimodal target - the mode directions and their relative weights - is acquired during training. Crucially, at high $Λ(t)$ all mode directions are acquired together, on a single timescale insensitive to their amplitudes, while the relative weights are not learned at all. Only near the speciation time, where $Λ(t)$ becomes of order one, do all features become learnable, each on its own timescale: the weights are acquired jointly with the directions, and the directions at rates set by their relative amplitudes. For models trained on time-integrated objectives, the learning dynamics is then governed by how much of the weighting effectively sits near the speciation time, which provides insights on $w(t)$ design choices. These results follow from an exact high-dimensional analysis of the training dynamics of unbalanced and hierarchical Gaussian mixtures. Numerical experiments on image and human genome haplotype generation recover the predicted hierarchy of learning timescales in more complex settings.

Score matching has driven major advances in classical generative learning by enabling models to learn from data without evaluating intractable normalization constants, or partition functions. Yet, extending this principle to quantum learning requires rethinking its foundations, as quantum states are described by noncommuting density operators rather than scalar probabilities. The noncommutativity creates fundamental challenges not only in defining quantum scores, but also in developing a training framework with efficient circuit implementations and rigorous theoretical guarantees. In this work, we bridge this gap by establishing a general quantum score-matching framework with end-to-end theoretical guarantees. Applied to Gibbs-state learning, our approach avoids additional thermal-state preparation and achieves information-theoretically optimal sample complexity in the high-temperature regime for Hamiltonians with bounded locality and interaction degree. This positions score matching as a new route to state-of-the-art performance in learning quantum Gibbs states. Beyond these theoretical results, numerical simulations show that our method remains effective even when gradients are estimated inaccurately under limited measurement budgets. Experiments on IBM quantum hardware further demonstrate that quantum score matching is NISQ-friendly: without any error mitigation or correction, it reduces the relative Hamiltonian-parameter error from 64% to approximately 10%. Together, these results extend score matching into an experimentally realizable paradigm for quantum-state learning.

Score-based diffusion models are increasingly considered in settings where the underlying data distribution may differ from the training distribution, yet existing theoretical guarantees largely focus on the no-shift setting. In this work, we study robust score estimation under Wasserstein perturbations of a reference distribution. For the Ornstein--Uhlenbeck diffusion, we show that robust estimation decomposes into two fundamental components: the statistical cost of learning the reference distribution and the intrinsic cost of distribution shift. The latter scales quadratically with the Wasserstein radius, and this dependence is minimax optimal. We construct an explicit finite-sample estimator achieving the resulting robust minimax rate without knowing the shift radius. When the reference distribution lies on an unknown low-dimensional subspace, the statistical term adapts to the intrinsic dimension while the shift cost remains unchanged. Finally, we show that the same decomposition governs positive-time reverse sampling and obtain matching minimax guarantees in KL divergence. Together, these results characterize how finite data, intrinsic dimension, and distribution shift affect the robustness of score-based diffusion models.

Generative modeling of time-dependent data is typically formulated on a discrete temporal grid, restricting supervision to the observed timestamps in the training data. We instead frame generation as continuous-time evolution on a learned data manifold. To this end, we leverage pretrained score-based models as geometric priors and learn a vector field that evolves data along score-induced interpolation paths. Because these dynamics follow transitions that respect the geometry learned by the score model, they support generation at arbitrary timestamps and temporal super-resolution beyond the discretization of the training data. Moreover, this geometric formulation allows us to train the vector field simulation-free through a regression objective. To improve long-horizon rollout robustness, we introduce an objective that promotes path-relative transverse exponential stability. While motivated by stability theory, it admits a practical interpretation as denoising score matching transverse to the interpolation path. Further, we extend the framework to a probabilistic setting that models a distribution over plausible future trajectories. We demonstrate the method on natural video and scientific dynamical data, including temporal super-resolution, PDE-based spatiotemporal fields, and molecular dynamics. Our results show that score-based priors provide a strong foundation for learning stochastic continuous-time generative dynamics.

Outliers are important for stress-testing algorithms and understanding system behaviour under rare conditions. Despite being commonly described as low-likelihood events, existing generative approaches rarely control likelihood explicitly. In this work, we introduce a measure-theoretic notion of outliers based on the distribution of log-likelihood values, which is guaranteed to assign higher probability mass to low-likelihood events with a specifiable magnitude. Building on this formulation, we derive how likelihood reweighting modifies the diffusion score and use this relation to motivate a controlled modification of the reverse-time dynamics. In particular, likelihood reweighting implies a scaling of the score function with a control term derived from the Radon-Nikodym derivative of the likelihood distributions. Correspondingly, the updated score function can be obtained with no retraining of the diffusion model. We exploit the Ornstein-Uhlenbeck semigroup underlying diffusion models to motivate an exponentially interpolated controller which approximates the true control. Experiments demonstrate controlled generation of low-likelihood samples while remaining consistent with the data geometry.

We introduce the Intrinsic Hybrid Latent Diffusion Model (ILDM), a generative framework that integrates probabilistic dimensionality reduction with geometry-aware diffusion on unknown manifolds. While diffusion models (DMs) have achieved state-of-the-art results in high-dimensional data synthesis, they rely on large training datasets and ignore intrinsic geometric structure. Latent diffusion models (LDMs) address the high dimensionality by learning a latent space, but they typically impose a Euclidean structure, failing to capture the underlying manifold geometry, especially problematic in data-sparse regimes. ILDM addresses these limitations by interpreting the latent space as a chart of an unknown Riemannian manifold, with geometry and uncertainty quantified through a probabilistic decoder. The forward process is a hybrid diffusion that switches between Riemannian and Euclidean dynamics based on local uncertainty, where the Riemannian component is governed by a probabilistic metric tensor derived from the decoder. To learn the generative dynamics, we introduce an approximate denoising score matching method tailored to the hybrid diffusion setting, enabling a backward process defined by hybrid Langevin dynamics. Experiments on COIL-100, MNIST, and cardiac MRI datasets demonstrate that ILDM significantly improves generation quality, achieving lower FID and LPIPS scores compared to standard diffusion and latent diffusion models.

Score-based diffusion models are typically formulated using continuous-time stochastic differential equations and measure-theoretic stochastic calculus. In this paper, we develop a hyperfinite formulation of score-based generative modeling within the framework of Nonstandard Analysis. Starting from an internal diffusion process on a hyperfinite grid, we derive the associated infinitesimal generator and establish its correspondence with the classical Fokker--Planck equation. We then obtain a hyperfinite backward-mean identity that yields the reverse-time drift and provides a constructive derivation of the reverse-time SDE. Building on these results, we show that minimization of an internal score-matching objective recovers the score function required by the reverse-time dynamics, thereby connecting score estimation with generative sampling directly at the hyperfinite level. Under suitable assumptions, we further derive a hyperfinite Girsanov formula and establish a relationship between likelihood optimization and Fisher-divergence objectives. Finally, we analyze the second-order consistency of the hyperfinite dynamics and show that the leading correction term depends explicitly on the fourth moment of the increment distribution, with the Gaussian value $κ=3$ eliminating the leading dispersion contribution. Taken together, these results provide a unified hyperfinite framework for diffusion-based generative modeling--while laying foundations for further extensions--that links discrete grid dynamics, reverse-time diffusion, score matching, and likelihood-based formulations within a common nonstandard setting.

Tree-based diffusion models fit flexible conditional predictive distributions for tabular regression without a neural density estimator, but they inherit their design defaults---noising path, parameterization, training distribution, features, sampler---from the neural setting. We show these defaults are the binding constraint: what a gradient-boosted ensemble actually solves is a supervised regression problem whose conditioning they determine. We present DiffGBM, which makes them explicit along two axes. First, a Gaussian-path flow-matching trainer for $p(y \mid x)$ that learns a velocity field directly and recovers the score algebraically, admitting few-step deterministic ODE sampling. Second, we expose the score-side recipe---residualization, EDM-style preconditioning, log-sigma time sampling, noise-level features, loss weighting, and histogram resolution---as jointly tunable axes over a shared LightGBM surface rather than one frozen bundle. This \emph{score-flex} space represents the published recipe as a special case; across eleven tabular benchmarks under fold-0 tuning, folds-1--5 evaluation, and a matched 40-trial budget and sampler, the selected configurations beat that baseline on \emph{every} dataset (paired Wilcoxon $11/0$, $p<10^{-3}$), with the best aggregate CRPS skill (0.725 vs.\ 0.699) of any row. The two rows are complementary: score-flex buys accuracy with a stochastic sampler and is the slowest row, while flow matching is the cheapest sampler ($5.2\times$ faster than the published baseline) and the best-calibrated DiffGBM row. Tuned non-diffusion baselines still win individual datasets, and stochastic ($\varepsilon>0$) flow samplers do not Pareto-dominate the deterministic corner.

Despite the empirical success of score-based diffusion models, a complete theoretical understanding of how finite-sample learning, network parameterization, and numerical discretization jointly dictate generative quality remains underdeveloped. Existing sampling analyses often evaluate the generative performance conditional on an oracle score or a pre-specified error threshold. In this work, we establish a unified convergence and generalization framework for score-based diffusion models parameterized by practical ResNet-type architectures. We analyze the generalization and convergence properties from the practical finite-sample, discrete-time learning problem of the score function to the ideal continuous-time, population-level objective. Based on the generalization result of the learning problem of score function, we analyze the sampling process induced by the learned score function and provide an end-to-end total variation distance estimate for the generated terminal distribution. This estimate explicitly decomposes the overall generative error into four interpretable components: the truncation error of the forward process, the reverse-time discretization error, the generalization error incorporating both finite data and forward-time discretization, and the training optimization gap. Our results quantitatively characterize how the training sample size, temporal discretization grids, and optimization accuracy jointly control the final fidelity of samples generated by diffusion models.

Score-based diffusion models have achieved remarkable empirical success in generative modeling, yet their approximation-theoretic foundations remain incomplete. In particular, although classical universal approximation theorems guarantee that neural networks can approximate score functions, it remains unclear whether such approximation guarantees translate into approximation of the probability distributions generated by reverse diffusion processes. In this paper, we establish a rigorous quantitative connection between these two notions. Specifically, we prove that if a neural network approximates the true score function sufficiently accurately, then the probability distribution generated by the corresponding reverse diffusion model is close to the target data distribution in Kullback-Leibler (KL) divergence, up to an irreducible mismatch between the terminal distribution of the forward diffusion process and the prior used to initialize the reverse process. More precisely, we derive an explicit upper bound on the distribution approximation error in terms of the score approximation error, the diffusion noise schedule, and the terminal prior mismatch. Our analysis combines Hornik's universal approximation theorem, Girsanov's theorem on path space, and the data processing inequality for relative entropy. Complementary to recent work that studies score approximation under finite-sample statistical settings and structural assumptions on the data distribution, our work develops an approximation-theoretic analysis based on classical neural network approximation theory. The resulting theorem provides a simple and explicit guarantee linking neural network approximation of score functions to approximation of the probability distributions generated by reverse diffusion models.

We describe a model of perceptual inference in primary visual cortex (V1) equivalent to a minimal diffusion model whose function can be readily understood from its parameters. The model is based on sparse coding with a non-factorial prior over latent variables in the form of an unconstrained, pairwise interaction matrix, extending standard sparse coding inference to a general recurrent dynamical system. We efficiently train these recurrent dynamics using a denoising score-matching objective and implicit differentiation. After training on natural images, the learned interaction matrix mirrors the structure of horizontal connections in superficial layers of V1 that link neurons of similar orientation tuning. This model exhibits exceptionally good denoising performance, restoring image features such as extended contours amid extreme visual ambiguity, nearly matching the behavior of standard, black-box diffusion architectures in generalization regime. Owing to the model's simplicity, the network's Jacobian can be decomposed directly in terms of the interaction matrix between latent variables, revealing mechanistically how the recurrent dynamics assign high probability over a continuous family of natural structural deformations. Intriguingly, within this circuit, a large fraction of latent variables learn to disconnect from visual input altogether, essentially forming a hierarchical representation that appears to enforce global consistency among image features. Together, the model and results bridge two distinct domains: for neuroscience, it generates concrete, testable hypotheses regarding functional connectivity in recurrent neural circuits during perceptual inference tasks; for machine learning, it elucidates the internal mechanisms learned by diffusion models that allow them to generate infinitely many novel images from a finite training set.

We study the integration of variational quantum circuits (VQCs) into diffusion models through a squeeze-and-excitation (SE) channel-modulation scaffold that isolates the quantum contribution. Using a role-matched classical control and multi-seed significance testing across DDPM and latent diffusion on MNIST and CIFAR-10, with a score-based NCSN study on MNIST, we find that quantum cores achieve comparable mean FID to the classical control across DDPM and latent diffusion, while paired sampling-seed tests for EfficientSU2 detect no statistically significant difference. Although the quantum cores use $4.5$--$9\times$ fewer core parameters than the role-matched control, parameter-matched classical controls attain comparable mean FID, so the experiments do not establish a quantum parameter-efficiency advantage. We further identify a structural failure in score-based NCSN: the unbounded score target, proportional to $1/σ$, drives angle-embedding inputs far beyond the $2π$ period of rotation gates, causing phase aliasing and collapse of the quantum modulator. A bounding transformation, $θ\leftarrow π\tanh(\cdot)$, maps inputs to the non-aliasing domain and substantially improves both quantum cores. Since all circuits are classically simulated at a few-qubit scale, we do not claim quantum advantage. Instead, the study provides a fair-comparison protocol for quantum-enhanced generative models and a mechanistic account of when and why angle embeddings fail.

Diffusion models offer a powerful framework for sampling from complex probability densities by learning to reverse a noising process. A common approach involves solving for the time-reversed stochastic differential equation (SDE), which requires the score function of the evolving sample distribution. The logarithm of this distribution's density is governed by a Hamilton-Jacobi-Bellman (HJB) type partial differential equation (PDE). However, current methods for solving this PDE, such as PINNs or trajectory-based techniques, often suffer from long training times and significant sensitivity to hyperparameter tuning. In this work, we introduce a novel and efficient solver for the underlying HJB equation based on the functional tensor train (FTT) format. The FTT representation leverages latent low-rank structures to efficiently approximate high-dimensional functions, enabling both model compression and rapid computation. By integrating this efficient representation with a backward-in-time iterative scheme derived from backward stochastic differential equations (BSDEs), we develop a fast, robust and accurate sampling method. Our approach overcomes primary bottlenecks of existing techniques, enabling high-fidelity sampling from challenging target distributions with improved efficiency.

Sequential Monte Carlo (SMC) methods are a natural tool for post-hoc conditioning of pretrained generative models, but in many applications the mutation kernels used by the particle system are biased approximations of an ideal Feynman--Kac flow. This paper develops a non-asymptotic error analysis for such SMC samplers. Under forward-smoothing forgetting conditions, we decompose the total error into a kernel bias, measuring the effect of replacing the ideal transition kernels by approximate ones, and a finite-particle Monte Carlo error. Our approach relies on extending local Doeblin-type conditions and Lyapunov drift arguments for Markov kernels to conditional distributions, thereby enabling a principled control of the bias. We then instantiate this general framework for conditional sampling with score-based diffusion models, and derive the first non-asymptotic error bound that jointly controls initialization error, time discretization, and score approximation in the reverse diffusion dynamics as well as finite-particle Monte Carlo error.

Score-based Generative Models (SGMs) have achieved impressive performance in data generation across a wide range of applications. While the statistical properties of their sampling procedures are increasingly well understood, the optimization dynamics underlying their training remain less explored. SGMs are typically trained by minimizing a weighted denoising score-matching objective, yet optimization guarantees with stochastic gradients remain limited. In this work, we study Stochastic Gradient Descent (SGD) for SGMs, contributing results in two complementary regimes. For general score parameterizations, we derive a non-convex analysis of SGD for the weighted denoising score-matching objective, making explicit how the resulting optimization bound depends on the loss weighting and time-sampling distribution. We then consider overparameterized two-layer ReLU networks and develop a Neural Tangent Kernel analysis tailored to diffusion training with stochastic gradients, yielding score-approximation error bounds along the SGD trajectory. Our analysis quantifies the role of the reweighting factor in these bounds, providing a theoretical characterization of weighting choices used in practice.

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.

In this paper, we are the first to examine the correlations between class frequency and the multi-scale noise schedule within diffusion models. For score-based generative models, low-density regions often lead to inaccurately estimated scores, thereby compromising the generation quality. Although the multi-scale noise schedule can alleviate this issue during the diffusion process, low-frequency classes still face the challenge of large low-density regions, resulting in more inaccurate estimated scores than high-frequency classes. Furthermore, high-frequency classes tend to dominate the score space, causing a convergence of most data points towards generating samples from these classes. Consequently, samples generated within low-frequency classes exhibit suboptimal quality and limited diversity. To address this challenge, we propose the \textit{Class-frequency Guided (CFRG)} noise schedule, leveraging the insight that low-frequency classes should be endowed with larger-scale noises. To illustrate the effectiveness of our method, we conduct experiments on various tasks, including image generation, image classification, and text-to-image generation, using imbalanced datasets, \textit{i.e.}, CIFAR-100-LT, and ImageNet-LT. By employing the CFRG noise schedule, we achieve substantial improvements over baselines, manifesting the crucial role of frequency statistics in noise schedule design.

We present a first study of a diffusion-based approach to accelerated sampling of the $N_f = 2$ lattice Schwinger model. Our work is inspired by recent and growing successes in developing such generative models for ensemble generation in LFT to overcome the well-known critical slowing down problem. We train a U(1)-equivariant score-based generative model to sample gauge link configurations from the marginal Schwinger model. By computing model likelihoods, we obtain unbiased estimates for observables that closely match those produced by MCMC simulations. We also demonstrate improvement over HMC as measured qualitatively by a reduction in topological freezing near critical parameters.

The prevalent dual-branch paradigm, i.e., training a side network to encode visual conditions and fusing its intermediate-layer features to a frozen pretrained main network, has shown remarkable success in visual-condition controllable generation. Despite its widespread adoption, the role of the side branch and its training efficiency remain underexplored. In this paper, we first revisit this mainstream paradigm through the lens of score-based generative modeling: 1) The main network preserves visual perceptual quality by providing a prior unconditional score. 2) The side network steers conditional control by implicitly contributing a likelihood score. Guided by this perspective, we propose LIkelihood Score Alignment (LISA), an effective regularization method that explicitly aligns the intermediate feature of the side network with an approximated likelihood score. Specifically, we first hook features from a designated layer of the side network and project them into the score latent space by a lightweight decoder. Then, we construct an approximated likelihood score target and calculate the distance between the decoder's output and this target as an additional regularization loss. Finally, we jointly optimize the side network and decoder with both standard diffusion loss and our regularization loss. Experiments across various image/video tasks, architectures, and diffusion/flow models demonstrated that LISA can not only consistently accelerate the training convergence and improve final synthetic results, but also encourage the side network's features to be more disentangled for conditional modeling with negligible additional training cost and zero extra inference cost.

Sampling from an unnormalized target density by reversing an Ornstein-Uhlenbeck diffusion requires the score of each noise-perturbed marginal law. Two exact identities are available: Tweedie's identity and a target-score identity, each yielding unbiased finite-reference score estimators for the OU-marginal score. Score estimators induced by scalar blends of Tweedie and TSI score estimators can reduce variance, but they are too rigid for singular or strongly anisotropic targets. We formulate blended score estimation as a conditional risk-minimization problem over matrix valued blending coefficients, referred to as gates. Our central result is to show the optimal matrix valued gate for blended score estimation is given $$G_\star(y,t) = α_t^2 \left(α_t^2 I_d + γ_t\, \mathbb{E}[H_0(X_0)\mid Y_t=y] \right)^{-1}, \qquad H_0=-\nabla^2\log p_0 .$$ Here $α_t = e^{-t}$ and $γ_t = 1-e^{-2t}$ are the OU coefficients, and the conditional expectation is under the OU posterior of $X_0$ given $Y_t=y$. We call this formula the \emph{Laplace-Fisher Gate Identity} (\LFGI{}). Because the Tweedie-TSI disagreement has conditional mean zero, the gate changes the score-estimator variance but not its expected value. We derive the variance-optimal matrix gate, record the Gaussian special case, and establish finite-reference consistency and stability bounds for estimating the gate from weighted reference samples. We then use the finite-reference LFGI score estimator for normalized density evaluation in Bayesian inverse problems. In regimes where MCMC pilot samples and derivative information are already available, LFGI uses those byproducts to construct a normalized surrogate for the posterior density. The resulting surrogate supplies information that the MCMC samples alone do not provide: posterior-energy evaluation, model-evidence estimation, and downstream density-based diagnostics. On a PDE-constrained inverse-problem benchmark, the LFGI surrogate improves posterior-density calibration and sampling diagnostics relative to the other tested score-estimator classes. Experiments using LFGI with known model evidence check absolute evidence calibration in both Gaussian and non-Gaussian settings.

Characterizing non-Gaussian posterior distributions in partially observed high-dimensional nonlinear systems remains a fundamental challenge in data assimilation. Ensemble Kalman filters rely on Gaussian approximations that can be inaccurate for strongly non-Gaussian posteriors, whereas particle filters suffer from severe scalability limitations. Recent score-based generative approaches improve posterior characterization but typically require supervised training with ground-truth posterior samples, which are unavailable in most practical applications. We introduce $Ω$ (Operator-based Mixture Ensemble for Generative Assimilation), a scalable framework that integrates conditional Gaussian surrogate modeling, unsupervised score learning, and generative sampling. The conditional Gaussian surrogate provides a nonlinear non-Gaussian baseline approximation while admitting closed-form conditional posterior distributions for the unresolved variables. First, $Ω$ exploits these closed-form conditional distributions to analytically recover the high-dimensional unobserved component, reducing computational cost and mitigating the curse of dimensionality. Second, $Ω$ learns only the residual discrepancy beyond an analytical baseline through denoising score matching using ensemble trajectories alone, eliminating the need for ground-truth posterior samples and substantially reducing the learning burden. Third, $Ω$ reconstructs the full non-Gaussian posterior distribution of both observed and unobserved variables via a Gaussian mixture representation, capturing multimodal, skewed, and heavy-tailed statistics. Finally, $Ω$ employs annealed Langevin sampling to iteratively refine ensemble members from the baseline toward the target posterior. $Ω$ is validated on several turbulent models with intermittency and extreme events, consistently improving posterior accuracy.

Score-based diffusion models have achieved remarkable empirical success, motivating extensive theoretical work to establish their foundations. However, existing complexity bounds for score approximation, a vital step in diffusion modeling, rely on rigid constraints such as Lipschitz continuous scores or lower bounded densities. This severely limits their applicability to real-world perceptual data, where singularities, sharp boundaries, and disjoint clusters routinely violate such restrictive assumptions. We bridge this gap between theory and practice, presenting the first universal score approximation theorem applicable to any compactly supported distribution in $\mathbb{R}^n$. Using a novel discretization technique that directly models the underlying distribution, we prove that the neural network complexity is governed by the support's upper Minkowski dimension $d$ rather than the ambient dimension $n$. Furthermore, by leveraging the inherent smoothing of Gaussian kernels, we show that even for irregular, fractal distributions, an $ε$ approximation error can be achieved with $\mathcal{O}(ε^{-{d/(M+1)}})$ local Taylor modules each at size of $\mathcal{O}(n^M)$, an $ε$-scaling rate previously achieved only for distributions with $(M+1)$-Hölder smoothness. Thus, we reveal a possible mechanism by which score-based diffusion models represent non-smooth data distributions.

Score-based diffusion models typically use Brownian perturbations, which provide tractable reverse-time dynamics but impose memoryless noising. We introduce Volterra generative models, a continuous-time score-based framework whose forward process injects path-dependent noise through fractional kernels. To handle the non-Markovian and non-semimartingale dynamics, we construct finite-dimensional Markovian lifts using Gaussian quadrature in both regimes and a hybrid finite-difference exponential approximation in the smooth regime. We prove squared error bounds, derive an augmented linear-Gaussian forward process, and show that the learning can remain data-dimensional by considering residual states and analytic auxiliary Gaussian scores. We also identify covariance and reverse-time degeneracies caused by shared Brownian factors and signed smooth-regime weights. The degeneracy motivates stabilized conditioning and, for stiff larger lifts, a Gaussian-bridge reconstruction sampler. Experiments on MNIST and CIFAR-10 show that persistent fractional perturbations with small Markovian lifts can improve score-based generation on MNIST and provide a promising extension to natural images, while the bridge sampler provides a stability mechanism for larger lifts.

Diffusion and flow-based models learn powerful data priors by training a denoiser to reverse Gaussian corruption. To use this prior to solve a linear inverse problem, one needs to sample from the posterior, but the score that the prior provides is the unconditional score, not the posterior score. Existing methods either steer a fixed pretrained denoiser with approximate measurement-matching corrections, or train a conditional restoration model that abandons the denoising structure of the prior. We derive the exact posterior score in closed form for linear Gaussian inverse problems under general Gaussian interpolants, and show that posterior sampling reduces to a denoising problem at an operator-dependent shifted pivot under an anisotropic noise covariance. We turn this identity into Exact Posterior Score (EPS), a denoising training objective that preserves the input/output structure of standard pretraining and can therefore be trained from scratch or fine-tuned from a pretrained denoiser. At inference, EPS uses the same sampler as the underlying backbone, with no likelihood gradients or projections. We evaluate EPS on five linear inverse problems across FFHQ and ImageNet, where it outperforms training-free and training-based baselines on fidelity, perceptual, and distributional metrics, while using roughly an order of magnitude fewer denoiser evaluations than gradient-based posterior samplers.

Driven by their remarkable success in computer vision and inverse problem solving, score-based models are increasingly applied to wireless communications, where they show promise across a range of physical-layer tasks. However, despite this growing interest, the current literature often lacks a rigorous analysis of when score-matching offers a tangible advantage over traditional discriminative learning. This paper aims to address this gap through the use-case of channel estimation, a fundamental inverse problem in wireless systems. We present a theoretically grounded interpretation of score-based channel estimation through the lens of the perception-distortion tradeoff, identifying the conditions where score matching excels as well as its key limitations. In particular, by modeling downstream wireless tasks (e.g., capacity maximization) as functionals of the channel estimation process, we quantify the excess risk incurred by standard distortion-minimization approaches. Extensive numerical results show that under high predictive uncertainty, the large excess risk gap can be offset by score-based estimation, enabling near Bayesian-optimal precoding via the learned posterior, whereas in the low predictive uncertainty regime, discriminative distortion-minimization approaches are preferable due to lower complexity and more efficient use of model capacity.

Scientific generative modeling often requires size transfer, where models trained on small systems are evaluated on larger ones. While translation-invariant architectures enable this evaluation, we show that architectural locality alone does not guarantee stable size extrapolation. Instead, stable extrapolation is governed by the quasi-locality of the Gaussian-smoothed score. Through Tweedie's formula, far-away perturbations can influence local score components via posterior covariance, meaning a local model succeeds only if its receptive field covers the smoothed score's response range. We formalize this mechanism, proving a size-uniform comparison theorem for local marginals under reverse diffusion. We also introduce Finite-Depth Local Flow (FDLF), a white-box diagnostic benchmark with exact scores, densities, and controllable response ranges. Empirically, we validate the interplay between spatial mixing, smoothed-score quasi-locality, and model receptive fields. Under spatial mixing, the smoothed score remains quasi-local relative to the receptive field, enabling stable extrapolation. Conversely, when spatial mixing weakens, the score's locality rapidly degrades, causing size transfer to fail.

Score-based generative models have had remarkable success over the last decade in generating a diverse set of visually plausible images. A variety of architectures including CNNs, U-Nets, and Transformers have been used as the score-approximation network in such diffusion modeling; however, to date, relatively little is known about how these architectural choices impact generative behavior. In this work, to provide insight into this area, we propose an analytically solvable parameterization of the score function using an expansion in a 2D orthogonal wavelet basis. In particular, we derive interpretable optimal score functions in terms of the moments of the data distribution. We use this parametrization to provide an architecture-agnostic, moment-based analysis that reveals which attributes of the data distribution tend to matter most for denoising. Our score machine is flexible enough to partially mimic the relevant inductive biases of multiple architectures, including U-Nets, and CNNs, taking a step towards understanding why different score architectures can exhibit distinct generative behavior. Since our score is solvable in terms of the moments of the data, we can begin to understand how the data distribution interacts with the score network to produce the behavior we observe in diffusion models.

Score-based diffusion models are typically trained by minimizing the $L^2$ score matching error, and standard theoretical analyses rely on this quantity to bound the sampling discrepancy between the learned and target distributions. We show the $L^2$ score error is not the right intrinsic measure of marginal distributional quality: a learned diffusion model can incur arbitrarily large $L^2$ score error while perfectly matching the target distribution. By decomposing score errors into a gradient and a solenoidal component (a Helmholtz-Hodge decomposition), we identify the geometric reason behind this: only the gradient component enters the marginal Fokker-Planck dynamics, while the solenoidal component is structurally invisible. We make this precise in three results. First, building on the corrected geometry, we prove an impossibility result: no monotone function of the $L^2$ score error can uniformly lower bound any divergence between the learned and target distributions. Second, we derive an upper bound on the Kullback-Leibler divergence that depends only on the observable gradient component of the error, tightening the standard Girsanov bound for generic score networks, and identifying its looseness as the cost of operating on path-space rather than marginal-space dynamics. Third, we give a tractable estimator of the gradient component via a dual Sobolev identity, which is shown to empirically correlate substantially better with sample quality than the full $L^2$ error.

Generative emulators of protein dynamics produce plausible trajectories at a fraction of the cost of molecular dynamics, but they inherit their training distribution and tend to revisit known states rather than reach rare ones under long-horizon extrapolation. Inspired by classical enhanced sampling, we introduce an implicit, history-dependent bias in the generative space of a pretrained emulator. Specifically, a history-aware score estimator augments the frozen emulator with a distance-weighted bias that steers reverse-time sampling away from previously generated structures, regularized by an environment-support term. To preserve structural validity at long horizons, a score-based refinement step re-projects drifted samples onto the data manifold using the frozen emulator. Our experiments demonstrate that the method (i) raises diversity by $35\%$ on DynamicPDB-80; (ii) on $12$ zero-shot Fast-Folding proteins, the learned bias alone reaches the unbiased emulator's coverage up to ${\sim}15\times$ faster, and pairing it with refinement reaches the coverage up to ${\sim}37\times$ faster while covering ${\sim}3\times$ as many low-energy states. Code will be released soon.