Score-Based Diffusion Model

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.

Maximum likelihood (ML) estimation is a principled and statistically efficient approach for learning probabilistic models. However, for unnormalized models, ML estimation requires evaluating the partition function and differentiating through it, which may not always be tractable. Score matching provides a practically viable alternative that circumvents this obstacle by fitting the score in a way that eliminates dependence on the normalizing constant. We derive the generalized score matching objective on a convex subset of $\mathbb{R}^{d}$ constructively starting from Minimum Probability Flow (MPF) learning, and show how classical score matching as well as domain-adapted variants for non-negative data arise naturally within the proposed framework. We show that the resulting objective is a {\it proper local scoring rule} of second-order, which provides the theoretical guarantee that the true density is recovered when the objective is minimized. Furthermore, for a model belonging to the exponential family, we establish convexity of the objective together with consistency of the finite-sample estimator under standard regularity conditions. Our derivation sheds new light on the scope and applicability of generalized score matching in various problem settings. We compare generalized score matching-based estimators on constrained domains, where the partition function is analytically intractable. We provide experimental results on parameter estimation for model densities belonging to the exponential family defined over convex subsets of $\mathbb{R}^{d}$, and a generative modeling use-case to demonstrate broader applicability of the proposed generalized score matching framework.

Efficient, fully automatic, and physically plausible 4D Gaussian synthesis is an important goal for dynamic scene generation. Recent physics-based methods couple 3D Gaussians with the Material Point Method (MPM) to generate physically driven motion, but extending this paradigm to heterogeneous multi-part objects and interacting multi-object scenes remains challenging. Object-level physical assignment collapses distinct parts into a single material state, while one-shot predictions from large language models, vision-language models, or agents neither reliably bind different materials to identified parts nor verify that the resulting MPM configuration is executable. Score Distillation Sampling (SDS)-based parameter optimization, meanwhile, requires repeated per-scene score evaluations and gradient backpropagation, incurring lengthy optimization and potentially yielding suboptimal or unstable solutions. We therefore present PhysMAS, a physics-grounded multi-agent framework. From a motion prompt and four scene views, an Object-Part Scene Agent establishes persistent identities and calls a Material Reasoning Agent for part-wise profiles. It invokes solver-aware skills to bind these identities and profiles to per-particle MPM fields and execute all objects in a shared domain; the framework then screens candidate forward-simulation results. This supports heterogeneous multi-part and interacting multi-object scenes without per-scene diffusion-score backpropagation. Extensive experiments demonstrate that, compared with recent physics-based 4D Gaussian baselines that rely on SDS, PhysMAS achieves better semantic alignment and perceived physical plausibility while requiring less runtime.

Reference-guided stylization of scenes represented by 3D Gaussian Splatting (3DGS) is important for efficient and controllable 3D content creation. Existing VGG-feature-based 3D stylization methods provide stable rendered-view optimization, but often under-represent expressive reference style cues; diffusion models offer stronger image priors, yet direct per-view or score-based diffusion guidance can lead to view drift, local artifacts, and hard-to-control appearance updates. We present DReSG, a 3D-grounded residual-feedback framework for stylized Gaussian splatting. DReSG represents attention-guided diffusion proposals as residual targets relative to the current render, and progressively absorbs these residuals into a shared Gaussian scene through multi-view Gaussian feedback. To make this feedback stable and controllable, DReSG modulates residual strength during target construction and combines coverage-aware view selection with conflict-filtered color updates during multi-view fitting. Extensive experiments demonstrate that DReSG achieves competitive reference-guided stylization while better preserving scene structure and cross-view stability. Our project page is available at https://vpx-ecnu.github.io/DReSG-website/.

We study score learning for reflected diffusion on bounded domains. Reflection keeps trajectories feasible but does not ensure that the learned score satisfies the boundary behavior implied by the forward process. With implicit score matching, integration by parts leaves a boundary term, and we show that it depends on one scalar at each boundary point: the diffusion- weighted normal component of the score, or conormal trace. The no-flux condition fixes this value while leaving the re- maining boundary components unrestricted; under anisotropic diffusion it generally differs from the ordinary normal score component. On hyperrectangles, our parametrization enforces the required trace without additional trainable parameters or a stochastic boundary estimator and, under regularity assump- tions, can represent the true score, whereas fixing an incorrect value creates an error that more data cannot remove. We ex- tend the construction to simplices and polygonal domains and identify reflection masking: hard reflection can keep samples feasible even when the learned trace is wrong, so post-reflection metrics may hide the error. Experiments show the clearest separation with less frequent reflection, anisotropic diffusion, and mass near intersections of constraints; under full reflection, final sample placement improves inconsistently, illustrating how hard repair can mask boundary-score errors and decouple score accuracy from downstream generation quality.

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.

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.

Real-time score following from sheet images remains chal- lenging because the model must process streaming au- dio while resolving highly repetitive visual patterns un- der strict latency constraints. Recent image-based meth- ods have attempted to use multi-resolution prediction by simultaneously predicting the positions of the active sys- tem, bar, and note. However, their predictions across these different levels of notation are independent, which makes the predictions unstable and introduces unnecessary ex- tra search space for bar- and note-level predictions. Most existing methods also lack mechanisms to recover from score discontinuities, such as repeats, da capo (D.C.), or coda jumps. This paper proposes CODA, to the best of our knowledge, the first real-time score following system that addresses both gaps. CODA explicitly exploits the cascaded structure of music scores: it first selects the ac- tive system, then the active bar within it, and finally the active note within the selected bar. This enforces pre- diction consistency across resolutions. A silence-driven break mode enables recovery from arbitrary score discon- tinuities without requiring knowledge of the repeat struc- ture. Evaluated on the Multimodal Sheet Music Dataset (MSMD) piano benchmarks, CODA achieves state-of-the- art tracking accuracy and discontinuity-recovery perfor- mance under real-time throughput. Code is available at https://github.com/ValleyC/CODA.

Score Entropy Discrete Diffusion (SEDD) parameterizes discrete reverse processes with unconstrained positive score ratios. While positivity guarantees nonnegative reverse jump rates, it does not ensure Bayes realizability: ratios at a noisy state need not be jointly induced by any clean-token posterior under the forward kernel. The score-entropy loss has the correct population optimum but does not enforce this constraint away from it. In a trained pure-uniform SEDD checkpoint, roughly one quarter of complete score vectors violate the coordinate box, while more than half lie inside it yet remain materially incompatible with any valid posterior. Such violations can produce negative pre-normalization weights in finite-step sampling. Projecting raw scores onto the bridge polytope removes all observed negative weights and improves external generative PPL from $203.6$ to $175.1$ without changing the sampler. We introduce \emph{mean-to-score} (M2S), which predicts a clean-token posterior mean and converts it to the score through an exact kernel-dependent linear map. The construction applies to any known coordinate-wise continuous-time Markov chain (CTMC) satisfying a mild support condition. For uniform corruption, it maps the probability simplex onto the bridge polytope; for absorbing-mask corruption, the resulting objective recovers MD4 exactly. In a controlled 28.4M-parameter CIFAR-10 comparison, M2S lowers test BPD from $3.173$ to $3.129$ and FID-50k from $\CifarSEDDFID$ to $\CifarMtwoSFID$. A 170M-parameter M2S model trained on about 262B OpenWebText token slots outperforms the evaluated pure-uniform SEDD, GIDD, and Neural CTMC checkpoints at every tested sampling budget, reaching generative PPL $143.3$ at 128 steps versus $183.6$ for the strongest pure-uniform baseline.

We formulate reinforcement learning (RL) in continuous time with discrete state spaces and possibly arbitrary action spaces via a stochastic control approach, where the state dynamics are modeled as a controlled continuous-time Markov chain (CTMC). We consider policy optimization problems and derive the corresponding policy gradient methods, leading to continuous-time variants of proximal policy optimization (PPO) and group relative policy optimization (GRPO). As a primary application, we develop a complete continuous-time RL framework for fine-tuning score-based discrete diffusion models. The proposed framework enables reward-driven optimization without requiring differentiability on the reward signals. In contrast to the existing GRPO-based approaches that only rely on terminal rewards, our formulation allows intermediate reward or advantage signals to be incorporated throughout the denoising trajectory. Importantly, when specialized to masked diffusion models (MDMs), our framework encompasses a rich class of policy parameterizations over the vocabulary simplex with analytically tractable probability ratios, providing a unified perspective on exploration and policy optimization in MDMs. For masked diffusion large language models (dLLMs), we further propose trajectory subsampling techniques to efficiently estimate computationally prohibitive trajectory likelihoods, reducing the computational cost of computing per-position probability ratios. We showcase the effectiveness of our methods on both low-dimensional entropy-regularized optimization problems and RL post-training of dLLMs on mathematical reasoning and coding tasks.

We introduce Sticky Jump Diffusions (SJDs), continuous-time Markov processes on $\mathbb R^d$ whose discrete anchors are token embeddings. In forward time, anchors release their mass at a hazard rate and the released mass diffuses in the continuous ambient space; time reversal couples a score-driven SDE with a sticky jump kernel whose rate and destination are fixed by flux balance with the forward law. We estimate the score and the per-anchor reverse hazards from a single denoising classifier via Denoising Hazard Matching, the hazard analogue of denoising score matching, with simulation-free cross-entropy training. SJD recovers masked diffusion, continuous diffusion, and hybrid diffusion as limits. Its reversal explains features that each family treats as given: the mask of masked diffusion carries no evidence about the source token because the unsticking kernel of every anchor collapses to the same absorbing point; the terminal projection of continuous diffusion is required due to the absence of atoms in its forward marginal, without which flux balance yields no reverse jumps; and the update rules of hybrid diffusion (commit rate, destination, and drift) all follow from flux balance rather than from separate design. Beyond these limits, the unsticking kernel becomes a design space: a cross-position blending corrupts each position toward a blend of its neighbors' clean values or embeddings, turning dependency structure such as spatial locality or a constraint graph into an inductive bias of the corruption itself, and improves over the identity-kernel hybrid on CIFAR-10, Text8, and Sudoku.

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.

Benign overfitting and double descent have come to shape our understanding of generalization in deep learning, establishing that overfitting is not only compatible with good generalization but can actively benefit it. Diffusion models share much of the machinery of standard deep learning, so it is natural to assume that they also exhibit these properties. In this work, we show that this assumption is largely incorrect. We first establish fundamental impossibility results showing that, unless the sample size grows exponentially with the data dimension, overfitting and good generalization cannot occur simultaneously. Consequently, the population loss follows a classical U-shaped curve in model complexity rather than exhibiting double descent. Analyzing a simplified setting, we identify a key difference between regression and score matching: regression benefits from an alignment between the target and the empirical covariance; score matching admits no such alignment, leaving overfitting irreparably harmful. We further identify implicit regularization stemming from time-smoothness of the score and early stopping during training as mechanisms that prevent such overfitting and verify our findings with high-dimensional image generation experiments. Our results reveal that generalization in diffusion models is governed by mechanisms distinct from those of traditional regression, motivating the development of new theory.

We study timestep allocation for score-based diffusion sampling, where a learned reverse-time dynamics is discretized on a finite grid. Uniform and hand-crafted schedules are standard choices, but they rely on fixed prescriptions and can therefore be suboptimal. To address this limitation, we propose Adaptive Reparameterized Time (ART), a continuous-time control formulation that learns a time change by treating the speed of the sampling clock as the control, so that a uniform grid on the learned clock induces adaptive timesteps in the original diffusion time. Based on a leading-order Euler error surrogate, ART provides a principled objective for allocating timesteps along the sampling trajectory. To solve this deterministic control problem, we introduce ART-RL, an auxiliary randomized formulation with Gaussian policies that turns schedule learning into a continuous-time reinforcement learning problem. We prove that the randomized ART-RL formulation is equivalent to ART at the optimizer level, in the sense that its optimal Gaussian policy recovers the optimal ART time-warping rate through its mean. We further establish policy evaluation and policy improvement characterizations and derive trajectory-based moment identities that yield implementable actor--critic updates for learning the schedule. Across experiments ranging from controlled low-dimensional settings to image generation, ART-RL can be plugged into existing diffusion samplers by changing only the timestep grid, consistently improving sample quality over strong baseline schedules at matched budgets while leaving the rest of the sampling pipeline unchanged. The learned schedules also exhibit broad generalization, transferring without retraining across sampling budgets, datasets, solvers, pipelines, and representation spaces.

Score distillation turns a pretrained 2D diffusion model into a 3D generator, but the per-step gradient is estimated from a single randomly chosen view: it is high-variance and blind to global shape consistency. Prior work addresses this by retraining the diffusion prior on multi-view data; this improves consistency but makes the sampling contribution inseparable from prior quality. We instead isolate the sampling axis. The per-step gradient is one noisy sample of an expectation over views; aggregating K samples per step at a fixed total UNet budget reduces variance without touching the prior. We introduce Multi-View Aggregated Score Distillation (MV-SDI), which aggregates gradients from K views per step via gradient accumulation, keeping peak memory unchanged and the 2D prior frozen, and draws views as antithetic antipodal pairs, a prior-independent geometric property, for balanced angular coverage. At a fixed 10,000-UNet-call budget, K=2 raises CLIP R-Precision from 74.8% to 83.8% and CLIP score from 0.297 to 0.312, with consistent gains on HPSv2 and ImageReward and a 0.0% divergence rate on the 43-prompt benchmark; optimization steps halve as a consequence. K=4 gives a fourfold step reduction at R-Precision 86.9% and CLIP 0.307, still well above the single-view baseline on every alignment metric. MV-SDI is compatible with gradient-based score-distillation pipelines, including Score Distillation via Inversion, and requires no retraining and no multi-view data.

The remarkable success of score-based diffusion models has spurred significant efforts to establish their theoretical foundations. However, existing complexity bounds for score approximation rely heavily on restrictive assumptions like Lipschitz continuous densities or smooth manifold supports, which are routinely violated by the singularities, sharp boundaries, and disjoint clusters inherent to real-world perceptual data. This work establishes a universal score approximation theorem that works for any distribution supported on any compact set of upper Minkowski dimension $d$. Using a novel discrete-mixture formulation, we prove that the score function can be approximated with a ReLU network whose complexity grows exponentially only with $d$, thus breaking the exponential curse of ambient dimensionality. Combined with existing theories on accurately solving the backward diffusion SDE for arbitrary compact distributions, our work shows that diffusion models readily adapt to irregular, non-smooth data structures, explaining their competence in real-world generative tasks.

The score matching problem is a central training objective in modern generative modeling, diffusion models, fitting unnormalized statistical models, and inverse problems. A standard approach is to minimize the forward Fisher divergence, where the expectation is taken with respect to the teacher distribution. However, recent results show that even in simple Gaussian mixture model settings, this objective can lead to undesirable and initialization-dependent convergence behavior. In this paper, we study an alternative objective: the reverse Fisher divergence, where the expectation is taken with respect to the student distribution. We analyze gradient descent (GD) for fitting Gaussian mixture models and show that this change in the objective leads to significantly better optimization properties. First, when the teacher distribution is a single Gaussian and the student is a Gaussian mixture model with fixed weights and identity covariances, we prove the global convergence of GD from arbitrary initializations. Second, we extend the analysis to the case where the teacher is also a Gaussian mixture model and prove global convergence guarantees under a global random initialization scheme and a $\widetildeΩ(1)$-separation assumption on the target means. In particular, with high probability, each student component converges near its closest teacher component, and we provide conditions under which the student distribution converges in total variation distance. Our proofs rely on a new Lyapunov-based analysis of the gradient descent dynamics, showing that the reverse Fisher divergence has a much more favorable optimization landscape than the forward Fisher divergence.

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.

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.

Score-based diffusion models have emerged as prominent deep generative models; however, their application to tabular data remains challenging because their backbones assume fully specified inputs, whereas real-world tabular data often contain missing values. We propose AugMask, a plug-and-play training framework that adapts missing-unaware backbones to incomplete data by separating conditioning from supervision. AugMask 1) constructs numeric inputs via conditional stochastic augmentation using lightweight auxiliary models, and 2) applies denoising supervision only to observed coordinates. In effect, augmented missing entries serve as uncertain conditioning context rather than training targets. We connect this training rule to a Rao--Blackwellized objective and show that marginalizing missing entries yields a variance-weighted sensitivity penalty, discouraging over-reliance on uncertain completions. Across diverse datasets and missingness regimes, AugMask enables standard diffusion-based tabular generators to outperform specialized missing-aware baselines.

Diffusion-based inverse problem solvers can produce realistic reconstructions, but realism alone does not ensure that the recovered details are supported by the measurement. We study this failure as measurement-conditioned hallucination: visually meaningful content that is either implausible or inconsistent with the measured instance. Our analysis separates Bayes-rule-based diffusion inverse solvers into a prior update and a measurement-conditioning step, showing that hallucinated content can enter through the prior-side proposal before the measurement correction is applied. Motivated by this view, we propose Robust Prior Update (RPU), a solver-level module that probes the local stability of the diffusion prior update, re-anchors the resulting displacement at the current iterate, and leaves the measurement update unchanged. We instantiate RPU in DPS and evaluate it on FFHQ and ImageNet inverse problems using automatic metrics and human faithfulness studies. On FFHQ, RPU improves PSNR and LPIPS over DPS across box inpainting, Gaussian deblurring, and motion deblurring. In human judgments, RPU receives 91.9% of blind non-tie majority preferences and 91.1% of ground-truth-assisted non-tie preferences on FFHQ box inpainting, while the ImageNet Gaussian reader study is tie-heavy but favors RPU among non-tie cases. These results support a targeted claim: robustifying the prior update can improve instance faithfulness in diffusion inverse solvers, especially when the prior shapes weakly constrained content.

Parameter estimation in stochastic differential equations is a classical statistical problem of much importance in many scientific fields. Recent work of Tapia Costa et al. (2026) introduced a novel technique for estimating the drift when the diffusion parameter is known, using discrete samples from multiple trajectories. Their method treats drift estimation as a denoising problem, and leverages tools from (conditional) score-matching diffusion models. Although their experiments showed promising results across different drift classes, the question of theoretical guarantees for their estimator was left unanswered. In this note, we address this gap by exploiting techniques from diffusion model theory. More concretely, we derive an explicit risk bound for the time-averaged mean-squared error of said drift estimator. Our bound decomposes the risk into the (i) Euler-Maruyama discretization, (ii) score/denoiser approximation, (iii) noise initialization, and (iv) sampling variance, revealing the trade-offs between the different hyperparameters and sources of error in the estimator.

Diffusion models have emerged as the backbone of modern generative AI, powering advances in vision, language, audio and other modalities. Despite their success, they suffer from hallucinations, implausible samples that lie outside the support of true data distribution, which degrade reliability and trust. In this work, we first empirically confirm previously proposed hypothesis that score smoothness causes hallucinations in Image Generation diffusion models and provide a density-based perspective. We further formalize this notion by linking the hallucinations probability mass to lipschitz constant of the learned score function. Motivated by this, we introduce a Variance-Guided Score Modulation (VSM) strategy that controls the score Jacobian, in turn reducing score smoothness and better approximating the ground truth score that decreases hallucinations. Empirical results on synthetic and real-world datasets demonstrate that our approach reduces hallucinations (up to ~25%) while maintaining high fidelity and diversity, providing a principled step toward more reliable diffusion-based image generation. We also propose two benchmark datasets with extreme semantic variation for systematic hallucination evaluation. Code and Datasets are publicly available at https://github.com/bhosalems/VSM.

Riemannian diffusion models generalize score-based generative modeling to manifold-supported data via stochastic diffusion equations on the manifold. However, training requires sampling from and differentiating the manifold heat kernel, which is rarely available in closed form beyond a few highly symmetric manifolds. We propose a general approach that approximates the heat kernel by directly solving the manifold heat equation with a physics-informed neural network (PINN). Given an explicit manifold specification, we choose a coordinate system, derive the corresponding heat (Fokker--Planck) equation and a short-time asymptotic approximation, and then train a PINN to learn the log heat kernel. The resulting surrogate enables both forward noising (heat-kernel sampling) and conditional-score evaluation for denoising score matching. We demonstrate the method on diverse manifolds including $S^2$, $SO(3)$, $\mathrm{SPD}(n)$, and permutation-quotiented point clouds.

We exhibit an exact correspondence between sampling with score-based diffusion models and adiabatic transport of ground states for a family of Schrödinger operators we call Score Hamiltonians, built from the learned score's quantum potential. We obtain novel density reconstruction bounds and principled annealing schedules via adiabatic theorems for Fokker-Planck equations with time-varying potentials. We find the fundamental limit of sampling is set by the ratio of squared score-matching error to Score Hamiltonian spectral gap - the inverse Poincaré constant of the data density.

Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their statistical efficiency remains limited. Existing theories typically rely on strong regularity assumptions, such as uniformly bounded densities or globally smooth score functions, which fail to capture such intrinsic structures. In this work, we study the sample complexity of diffusion models for learning distributions supported on a union of low-dimensional subspaces. Assuming that the data distribution within each subspace is subgaussian, we show that diffusion models require at most $\widetilde{O}(\varepsilon^{-k \vee 2})$ samples to achieve $\varepsilon$ error in 1-Wasserstein distance, where $k$ is the intrinsic dimension. This near-optimal convergence rate depends only on the intrinsic dimension and significantly improves upon prior theoretical guarantees that suffer from the curse of dimensionality. Notably, our analysis applies to a broad collection of distributions without imposing smoothness, bounded-density, or log-concavity assumptions. Overall, our results show that diffusion models can statistically adapt to intrinsic low-dimensional structure while naturally accommodating multi-modal data, offering a rigorous theoretical justification for their success in complex high-dimensional learning tasks.

We study denoising score matching (DSM) when the latent distribution is supported on a smooth embedded manifold $M \subset \mathbb{R}^D$. Under ambient Gaussian corruption, the tangent denoising target contains a singular normal-fiber noise channel whose variance diverges as $d/σ^2$ as $σ\to 0^+$. We show that conditioning on the nearest-point projection $π(X)$ canonically removes this singularity: the resulting conditional expectation is the unique $L^2$-optimal Rao-Blackwellized predictor of the tangent DSM target among all estimators depending only on the projected observation $π(X)$. We then compute the small-noise expansion of this canonical target and show that it equals the intrinsic Riemannian score up to an explicit order-$σ^2$ correction that decomposes into an intrinsic Tweedie term and an extrinsic curvature term involving the Weingarten and Ricci operators. In the flat case, the construction reduces exactly to ordinary lower-dimensional Gaussian DSM, while on $S^d$ the extrinsic correction simplifies to the scalar factor $(1-d/2)\nabla_M \log q$; this extrinsic $σ^2$ correction cancels identically on $S^2$, though the intrinsic Tweedie term remains.

Score matching is an alternative to maximum likelihood estimation when the normalizing constant is unknown or too costly to evaluate. However, vanilla score matching has shown to be inefficient relative to maximum likelihood estimation for multimodal distributions with well-separated modes, which are commonly encountered in practical applications. We compare a novel diffusion-based denoising score matching estimator (DDSME) to the vanilla score matching estimator (SME) in this scenario. In particular, we prove statistical guarantees for both estimators, showing that the error bound for the vanilla SME worsens when the separation between the modes increases, which can be avoided in case of the DDSME with suitable hyperparameter tuning. This provides a novel theoretical explanation for the superior behavior of diffusion-based score matching over the vanilla version.

Diffusion models have emerged as a dominant framework for generative modeling, but their mathematical foundations are often presented separately through diffusion probabilistic models, score-based modeling, stochastic differential equations, and numerical sampling methods. We write this tutorial to provide a unified and self-contained account of these viewpoints from the perspective of differential equations. Starting from a conditional Gaussian noising process, we derive ordinary differential equation (ODE) and stochastic differential equation (SDE) representations, pass to the corresponding marginal forward dynamics, and then obtain the reverse-time SDE and probability-flow ODE that make generation possible. We show that the central unknown quantity in reverse sampling is the marginal score, explain how score matching becomes the standard denoising objective under a noise-prediction parameterization, and discuss practical reverse-time sampling and guidance. We further place DDPM, DDIM, flow matching, and score-based SDEs in a common framework, and conclude with diffusion language models in continuous embedding space together with a brief discussion of discrete masked-token diffusion. The tutorial is intended as a bridge between the analytical foundations of diffusion processes and the modern generative algorithms built upon them.

Compositional score-based approaches to simulation-based inference (SBI) approximate the posterior over a shared parameter given $n$ independent observations by aggregating individually learned posterior scores: currently, there are two main propositions of such methods (Geffner et al. (2023), Linhart et al. (2026)). As the resulting composite score does not correspond to the score of any distribution along the forward diffusion path of the true multi-observation posterior, sampling from it via a reverse SDE leads to an irreducible bias. Annealed Langevin dynamics provides a principled alternative: it treats the composite score as the genuine score of a sequence of tractable bridging densities and samples from them in succession. When properly tuned, it could lead to a controllable bias. However, its hyperparameters, namely step sizes, the number of steps per level, and the number of annealing levels, have so far been chosen empirically. We derive Wasserstein bounds for annealed Langevin with approximate scores and translate them into explicit decision rules for these hyperparameters that guarantee a prescribed sampling accuracy, while highlighting different theoretical aspects of each composite score formulation. In the Gaussian setting, we obtain closed-form expressions for all relevant quantities and prove that the bridging densities of Linhart et al. (2026) consistently admit larger step sizes and require fewer total Langevin steps than those of Geffner et al. (2023). Furthermore, we show empirically that the tuning obtained in the Gaussian setting generalizes to more complex problems, thus providing a well-understood and theoretically grounded starting point for practitioners using compositional score-based approaches.

Deep generative models have emerged as state-of-the-art for solving inverse problems, but applying them to inverse problems for PDEs, like electrical impedance tomography (EIT) remains challenging. Because physical domains are naturally discretized as unstructured meshes rather than regular grids, standard convolutional architectures are often inadequate. In this paper, we propose a novel framework that extends diffusion posterior sampling (DPS) to graph-structured data. We develop an unconditional score-based diffusion model directly on a 2D triangular mesh to learn an accurate prior over the physical solution space. Furthermore, we introduce a regularized variant, RDPS, which incorporates explicit regularization terms, such as total variation and generalized Tikhonov, to complement the implicit diffusion prior and mitigate severe ill-posedness. Extensive experiments on synthetic and real 2D EIT datasets demonstrate that RDPS produces stable, physically plausible reconstructions. Our approach generalizes well to out-of-distribution inclusion geometries, is highly robust to measurement noise, and outperforms current state-of-the-art solvers (e.g., GPnP-BM3D, DP-SGS) in reconstruction accuracy and artifact reduction.

Diffusion/score-based models have emerged as powerful generative models, capable of generating high-quality samples that mimic the training data distribution. However, it has been observed that they are prone to reproducing training samples-known as "memorization"-potentially violating copyright and privacy. In this paper, we study the effect of Higher-Order Langevin Dynamics (HOLD) on this phenomenon. HOLD diffusion processes introduce auxiliary variables; if the data variable is interpreted as "position," then the auxiliary variables can be interpreted as "velocity" and "acceleration," depending on the chosen order of the model. They were originally proposed based on the intuition that they regularize the trajectories of the data variable by implicitly imposing additional dynamical constraints. Our work provides, to our knowledge, the first theoretical characterization of the regularization effect of HOLD. Specifically, we show that in HOLD, the dynamics of the data variable are governed by a low-pass-filtered version of the learned score function, with smoothness increasing with the order of HOLD. We then analyze the optimal empirical score and the possibility of distribution collapse. Together, our results explain the mitigation of memorization as the model order increases. Finally, we present an empirical study on real-world data that supports our theory and highlights this distinct advantage of HOLD over standard diffusion in practice.

Diffusion models generate high-dimensional data with remarkable quality, yet how their training efficiently learns the score function, bypassing the curse of dimensionality when data is supported on low-dimensional manifolds, remains theoretically unexplained. We identify a collapse-and-refine mechanism driven by the geometry of the score function itself: at small noise scales, the diverging singularity of the score drives a rapid dimensional collapse of the induced denoising map onto the data manifold projection; at moderate noise scales, training refines the intrinsic density on the learned manifold. We instantiate this principle as Score-induced Latent Diffusion (SiLD), a two-stage framework in which both manifold learning and density estimation emerge from a single denoising score matching objective, replacing the heuristic KL regularization of VAE-based latent diffusion models. We prove that the resulting sample complexity depends on the intrinsic dimension rather than the ambient dimension. Experiments on Stacked MNIST, CelebA variants, and molecular generation benchmarks show that SiLD matches or outperforms VAE-based LDMs in generation quality and consistently improves reconstruction, validating our theoretical predictions.

Diffusion priors have recently demonstrated strong capability in enhancing the quality of sparse-view 3D reconstruction by augmenting training views at novel viewpoints, but they inevitably introduce hallucinated content -- artifacts inconsistent with the input views -- into the final 3D model. To address this challenge, we propose Hallucination-Aware Diffusion prior (HAD), which estimates pixel-wise hallucination score maps for augmented images by leveraging multi-view reasoning capabilities from a feedforward novel view synthesis (NVS) network pre-trained on large-scale 3D data. These hallucination scores enable selective masking of unreliable pixels during the progressive 3D reconstruction procedure, preventing the introduction of non-existent artifacts into the 3D model. To further enhance performance, we create multiple versions of augmented images at each novel view by conditioning the diffusion prior on different input views, which are then fused into a final image that leverages the broader context across all input views. We show that our method substantially reduces hallucination artifacts in diffusion-assisted 3D reconstruction, thereby achieving state-of-the-art performance across multiple benchmarks on novel view synthesis. Our project are publicly available at \href{https://xiliu8006.github.io/HAD-Project-website/}{project website}.

Diffusion models generate samples by denoising along the score of a perturbed target distribution. In practice, one trains a neural diffusion model, which is computationally expensive. Recent work suggests that score matching implicitly smooths the empirical score, and that this smoothing bias promotes generalization by capturing low-dimensional data geometry. We propose moment-matched score-smoothed overdamped Langevin dynamics (MM-SOLD), a training-free interacting particle sampler that enforces the target moments throughout the sampling trajectory. We prove that, in the large-particle limit, the empirical particle density converges to a deterministic limit whose one-particle stationary marginal is a Gibbs--Boltzmann density obtained by exponentially tilting a naive score-smoothed diffusion target. The mean and covariance of this distribution agree with the empirical moments of the training data. Experiments on 2D distributions and latent-space image generation show that MM-SOLD enables fast, robust, training-free sampling on CPUs, with sample fidelity and diversity competitive with neural diffusion baselines.

Score-based diffusion models demonstrate superior performance in generative tasks but encounter fundamental bottlenecks in inverse problems due to the analytical intractability of the time-dependent likelihood score. To bridge this gap, we propose a novel proximal-based generative modeling (PGM) framework that rigorously circumvents explicit likelihood evaluation. Our framework is built upon a theoretical equivalence between Gaussian convolution in diffusion processes and Moreau-Yosida regularization in nonsmooth optimization. This enables a new sampling mechanism driven by the proposed Moreau score, which admits a closed-form expression via proximal operators. Moreover, we introduce Moreau score matching to learn the proximal operators that rely solely on samples drawn from the prior distribution. Theoretically, PGM eliminates the early-stopping bias inherent in the score-based diffusion model and achieves non-asymptotic convergence. Experiments demonstrate that PGM significantly surpasses state-of-the-art methods in reconstruction quality and sampling time.

Plug-and-Play (PnP) methods have become standard tools for solving imaging inverse problems by replacing the intractable maximum a posteriori (MAP) denoiser with the MMSE one. While this mismatch has been widely treated as unavoidable, recent works have sought to close this gap by targeting the MAP with diffusion-model scores. We show this is problematic in practice: learned scores do not match the true ones, so MAP-targeting iterations converge to cartoon-like images rather than realistic ones, and better results are obtained by stopping short of convergence. We turn this observation into a design principle and introduce ProxiMAP, an iterative MAP approximation whose noise schedule keeps the iterate's residual noise matched to the denoiser's training noise. This keeps the denoiser in-distribution where its score is reliable, and yields implicit early stopping that avoids the failure mode above. ProxiMAP is a modular drop-in replacement for MMSE denoisers in standard PnP algorithms and consistently sharpens reconstructions across deblurring, inpainting, super-resolution, and phase retrieval. Building on the same principle, we propose a hybrid variant that applies ProxiMAP only in the late iterations of PnP, where the denoiser is most reliable -- matching or exceeding the full-replacement variant at a fraction of the cost.

For stochastic process models, parameter inference is often severely bottlenecked by computationally expensive likelihood functions. Simulation-based inference (SBI) bypasses this restriction by constructing amortized surrogate likelihoods, but most SBI methods assume a black-box data generating process. While these surrogates are exact in the limit of infinite training data, practical scenarios force a strict tradeoff between model quality and simulation cost. In this work, we loosen the black-box assumption of SBI to improve this tradeoff for structured stochastic process models. Specifically, for neural network likelihood surrogates trained via probabilistic classification, we propose to augment the standard binary cross-entropy loss with exact score information $\nabla_θ\log p(x \mid θ)$ and adaptive weighting based on loss gradients. We evaluate our approach on case studies involving network dynamics and spatial processes, demonstrating that our method improves surrogate quality at a drastically lower computational cost than generating more training data. Notably, in some cases, our approach achieves downstream inference performance equivalent to a 10x increase in training data with less than a 1.1x increase in training time.

Score-based diffusion models achieve state-of-the-art performance for inverse problems, but their practical deployment is hindered by long inference times and cumbersome hyperparameter tuning. While pretrained diffusion models can be reused across tasks without retraining, inference-time hyperparameters such as the noise schedule and posterior sampling weights typically require ad-hoc adjustment for each problem setup. We propose principled reparameterizations that induce invariances, allowing the same hyperparameters to be reused across multiple problems without re-tuning. In addition, building on the RED-diff framework, which reformulates posterior sampling as an optimization problem, we further develop the OptDiff pipeline. OptDiff provides a simplified tuning framework that facilitates the integration of convex optimization tools to accelerate inference. Experiments on image reconstruction, deblurring, and super-resolution show substantial speedups and improved image quality.

Sampling from score-based diffusion models incurs bias due to both time discretisation and the approximation of the score function. A common strategy for reducing this bias is to apply corrector steps based on the unadjusted Langevin algorithm (ULA) at each noise level within a predictor-corrector framework. However, ULA is itself a biased sampler, as it discretises a continuous diffusion process. In this work, we consider adjusted Langevin correctors that employ Metropolis--Hastings (MH) or Barker's accept-reject steps to correct for this bias. Since the target density ratio typically required by MH-based algorithms is unavailable, we propose methods that instead utilise the score function to compute the correct acceptance probability. We introduce the first exact method for adjusting Langevin corrections in diffusion models, based on a two-coin Bernoulli factory algorithm. We also propose an efficient approximation based on Simpson's rule that achieves accuracy of order $5/2$ in the step size at near-zero marginal cost. We demonstrate that these procedures improve sample quality on both synthetic and image datasets, yielding consistent gains in Fréchet Inception Distance (FID) on the latter.

We survey continuous-time generative modeling methods based on transporting a simple reference distribution to a data distribution via stochastic or deterministic dynamics. We present a unified framework in which diffusion models, score-based generative models, and flow matching are instances of learning a time-dependent vector field that induces a family of marginals $(ρ_t)_{t \in [0,1]}$ governed by continuity and Fokker-Planck equations. Such a unified theory is timely because these methods are converging methodologically, yet fragmented notation and competing derivations continue to obscure their shared structure and the practical tradeoffs governing sampling, stability, and computation. Within this framework, we (i) derive reverse-time sampling for diffusion and score-based models as controlled stochastic dynamics, (ii) show that the probability flow ODE yields identical marginals and connects diffusion to likelihood-based normalizing flows, and (iii) interpret flow matching as direct regression of the velocity field under a chosen interpolation, clarifying when it coincides with or differs from score-based training. We compare objectives, sampling schemes, and discretization errors under unified notation, discuss connections to Schrodinger bridges and entropic optimal transport, and summarize theoretical guarantees and open problems on approximation, stability, and scalability.

Real-world datasets are inherently heterogeneous, yet how per-class structural differences and sampling imbalance shape the training dynamics of diffusion models-and potentially exacerbate disparities-remains poorly understood. While models typically transition from an initial phase of generalization to memorizing the training set, existing theory assumes homogeneous data, leaving open how class imbalance and heterogeneity reshape these dynamics. In this work, we develop a high-dimensional analytical framework to study class-dependent learning in score-based diffusion models. Analyzing a random-features model trained on Gaussian mixtures, we derive the feature-covariance spectrum to characterize per-class generalization and memorization times. We reveal the explicit hierarchy governing these dynamics: class variance is the primary determinant of learning order-consistently favoring higher-variance classes-while centroid geometry plays a secondary role. Sampling imbalance acts as a modulator that can reverse this ordering and, under strong imbalance, forces minority classes to acquire distinct, delayed speciation times during backward diffusion. Together, these results suggest that diffusion models can memorize some classes while others remain insufficiently learned. We validate our theoretical predictions empirically using U-Net models trained on Fashion MNIST.

Many normalizing flow architectures impose regularity constraints, yet their distributional approximation properties are not fully characterized. We study the expressivity of bi-Lipschitz normalizing flows through the lens of score-based diffusion models. For the probability flow ODE of a variance-preserving diffusion, Lipschitz regularity of the score induces a flow of bi-Lipschitz diffeomorphic transport maps. This ODE bridge allows us to analyze the distributional approximation power of bi-Lipschitz normalizing flows and, conversely, derive deterministic convergence guarantees for diffusion-based transport. Our key idea is to use the probability flow ODE to link regularity of the score to regularity of the induced transport maps. We verify score regularity for broad target densities, including compactly supported densities, Gaussian convolutions of compactly supported measures and finite Gaussian mixtures. We obtain a universal distributional approximation result: Gaussian pullbacks induced by bi-Lipschitz variance-preserving transport maps are $L^1$-dense among all probability densities. For Gaussian convolution targets, we further obtain convergence in Kullback-Leibler divergence without early stopping.

Quantum machine learning increasingly relies on pure-state representations, motivating generative models that sample directly in quantum representation space rather than perturbing classical inputs and re-encoding. We introduce Stochastic Schrödinger Diffusion Models (SSDMs), a score-based generative framework that defines diffusion, scores, and reverse-time sampling intrinsically on the complex projective manifold $\mathbb{CP}^{d-1}$ under the Fubini--Study metric. SSDMs combine a Riemannian Ornstein--Uhlenbeck forward diffusion with a stochastic Schrödinger realization, and learn reverse-time dynamics driven by the Riemannian score. Our central technical contribution is a local-time learning objective that exploits the local Euclidean OU limit of intrinsic manifold diffusions in Fubini-Study normal coordinates to obtain an analytic teacher score, bypassing the intractable transition densities that limit existing Riemannian score-based models. Across synthetic, physics-inspired (TFIM, XXZ), and quantum feature-state benchmarks up to $14$ qubits, SSDMs match target pure-state ensembles by orders of magnitude on MMD and observable statistics over both ambient Euclidean and matched Riemannian score-based baselines, and improve representation-level diagnostics for downstream quantum kernel methods.

Accelerated magnetic resonance imaging (MRI) enabled by the training of deep learning (DL)-based image recon. models requires large and diverse raw k-space datasets. In most clinical MRI applications, due to storage and patient privacy concerns, raw k-space data is discarded and magnitude-only images are the only component saved. Consequently, a large portion of the DL-based MRI recon. literature has either relied on small training datasets or has used one of the few available open-source k-space datasets. At the same time, the growing number of anonymized magnitude-only image registries/databases motivates the development of techniques that can use them as training datasets for generalizable DL-based recon. models. Here we propose to address this challenge by employing a generative approach based on conditional score-based diffusion models (SBDMs): given a magnitude-only MR image, it synthesizes a phase map (in the image domain) that realistically corresponds to the magnitude-only image. We evaluate its generative capabilities in a downstream DL-based recon. task whereby a large k-space dataset is generated by combining the SBDM-synthesized phase-maps and the corresponding magnitude-only images, and this k-space dataset is then used to train a DL model for accelerated MRI recon. We compare the performance of the resulting DL model versus those trained according to (a) a naive approach that uses smooth phase, (b) a k-space training dataset generated using synthesized phase maps derived from a generative adversarial network, and (c) the ground truth k-space data. Our results suggest that the DL model trained from SBDM-synthesized k-space data outperforms the other approaches in terms of quantitative metrics as well as qualitatively observed recon. fidelity, i.e., whether the reconstructed images include erroneous or hallucinated features that could adversely impact diagnostic accuracy.

Guiding Vector Fields (GVFs) are a powerful tool for robotic path following. However, classical methods assume smooth, ordered curves and fail when paths are unordered, multi-branch, or generated by probabilistic models. We propose a unified framework, termed the Score-Induced Guiding Vector Field (SGVF), which leverages score-based generative modeling to construct vector fields directly from data distributions. SGVF learns tangent fields from point clouds with unit-norm, orthogonality, and directional-consistency losses, ensuring geometric fidelity and control feasibility. This approach removes the reliance on ad-hoc path segmentation and enables guidance along complex topologies such as branching and pseudo-manifolds. The study establishes a correspondence between score vanishing in diffusion models and GVF singularities and highlights representational capacity near sharp path curvatures. Experiments on robotic navigation in planar environments demonstrate that SGVF achieves reliable path following in scenarios where classical GVFs fail, underscoring its potential as a bridge between generative modeling and geometric control. Code and experiment video are available at https://github.com/czr-gif/Guiding-Vector-Field-Generation-via-Score-based-Diffusion-Model.

The reverse process in score-based diffusion models is formally equivalent to overdamped Langevin dynamics in a time-dependent energy landscape. In our prior work we showed that a bilinearly-coupled analog substrate can physically realize this dynamics at a projected three-to-four orders of magnitude energy advantage over digital inference by replacing dense skip connections with low-rank inter-module couplings. Whether the \emph{training} loop can be closed on the same substrate -- without routing gradients through an external digital accelerator -- has remained open. We resolve this affirmatively: Equilibrium Propagation applied directly to the bilinear energy yields an unbiased estimator of the denoising score-matching gradient in the zero-nudge limit. For finite nudging we derive a sharp bias bound controlled solely by substrate stiffness, local curvature, and the norm of the loss-gradient signal, with a bilinear-specific corollary showing that one dominant bias term vanishes identically for coupling-parameter updates. Symmetric nudging further upgrades the leading bias from $\mathcal{O}(β)$ to $\mathcal{O}(β^2)$ at negligible extra cost. Under realistic finite-relaxation budgets this upgrade is essential, as one-sided EqProp produces anti-correlated gradients while symmetric EqProp yields well-aligned updates. Bias-variance analysis determines the optimal operating point, and end-to-end physical-unit accounting projects a $10^3$-$10^4\times$ energy advantage per training step over a matched GPU baseline. Symmetric bilinear EqProp is the first local, readout-only training rule that preserves the low-rank coupling enabling scalable thermodynamic diffusion models.

Reward-based fine-tuning steers a pretrained diffusion or flow-based generative model toward higher-reward samples while remaining close to the pretrained model. Although existing methods are derived from different perspectives, we show that many can be written under a common framework, which we call reward score matching (RSM). Under this view, alignment becomes score matching against a value-guided target, and the main differences across methods reduce to the construction of the value-guidance estimator and the effective optimization strength across timesteps. This unification clarifies the bias-variance-compute tradeoffs of existing designs, and distinguishes core optimization components from auxiliary mechanisms that add complexity without clear benefit. Guided by this perspective, we develop simpler, more efficient redesigns across representative differentiable and black-box reward alignment tasks. Overall, RSM turns a seemingly fragmented collection of reward-based fine-tuning methods into a smaller, more interpretable, and more actionable design space. Code is available at https://github.com/jaylee2000/rsm

We study the theoretical behavior of denoising score matching--the learning task associated to diffusion models--when the data distribution is supported on a low-dimensional manifold and the score is parameterized using a random feature neural network. We derive asymptotically exact expressions for the test, train, and score errors in the high-dimensional limit. Our analysis reveals that, for linear manifolds the sample complexity required to learn the score function scales linearly with the intrinsic dimension of the manifold, rather than with the ambient dimension. Perhaps surprisingly, the benefits of low-dimensional structure starts to diminish once we have a non-linear manifold. These results indicate that diffusion models can benefit from structured data; however, the dependence on the specific type of structure is subtle and intricate.

Diffusion models over discrete spaces have recently shown striking empirical success, yet their theoretical foundations remain incomplete. In this paper, we study the sampling efficiency of score-based discrete diffusion models under a continuous-time Markov chain (CTMC) formulation, with a focus on $τ$-leaping-based samplers. We establish sharp convergence guarantees for attaining $\varepsilon$ accuracy in Kullback-Leibler (KL) divergence for both uniform and masking noising processes. For uniform discrete diffusion, we show that the $τ$-leaping algorithm achieves an iteration complexity of order $\tilde O(d/\varepsilon)$, with $d$ the ambient dimension of the target distribution, eliminating linear dependence on the vocabulary size $S$ and improving existing bounds by a factor of $d$; moreover, we establish a matching algorithmic lower bound showing that linear dependence on the ambient dimension is unavoidable in general. For masking discrete diffusion, we introduce a modified $τ$-leaping sampler whose convergence rate is governed by an intrinsic information-theoretic quantity, termed the effective total correlation, which is bounded by $d \log S$ but can be sublinear or even constant for structured data. As a consequence, the sampler provably adapts to low-dimensional structure without prior knowledge or algorithmic modification, yielding sublinear convergence rates for various practical examples (such as hidden Markov models, image data, and random graphs). Our analysis requires no boundedness or smoothness assumptions on the score estimator beyond control of the score entropy loss.

Score-based diffusion models are a recently developed framework for posterior sampling in Bayesian inverse problems, enabling high-quality reconstructions in inverse problems by leveraging expressive prior distributions learned from empirical data. Despite their strong empirical performance and growing interest within the machine learning community, their behaviour in realistic, severely ill-posed inverse problems with experimental measurement data remains under-explored. Diffuse optical tomography (DOT) is an inverse boundary value problem that uses boundary measurements of near-infrared light to recover spatially varying absorption and scattering parameters in biological tissue. The problem is highly ill-posed and particularly sensitive to both measurement noise and modelling errors. We introduce a regularization strategy by constructing a mixed score consisting of a learned component and a model-based component. We show that the resulting mixed score approximates the score of a corresponding mixture distribution locally and in the small diffusion-time regime, providing a theoretical justification for the approach. We compare four approaches for difference imaging in DOT: a classical model-based method, an approximate score-based diffusion method (DPS), an exact posterior sampling method (UCoS) and a novel, regularized version of UCoS. We show that both the model-based approach and approximate diffusion-based sampling degrade significantly in the presence of limited-view geometry and real experimental data, whereas UCoS yields more accurate reconstructions.

Sampling from unnormalized probability densities is a pervasive challenge across the computational and physical sciences. Diffusion models provide a powerful generative framework for this task, but their success relies on accurately estimating the score of the perturbed target distribution. Current approaches face a dichotomy between two standard estimation methods: the Denoising Score Identity (DSI) requires data samples and exhibits high variance at low noise levels, whereas the Target Score Identity (TSI) relies on the energy function and suffers from diverging variance at high noise levels. In this work, we reconcile both approaches by introducing the Control Variate Score Identity (CVSI), an unbiased estimator with an analytically optimal, state- and time-dependent control coefficient that theoretically minimizes variance over the entire diffusion process. CVSI serves as a robust plug-in estimator that significantly enhances performance and efficiency in data-free sampler learning and training-free diffusion sampling. These gains scale to complex, high-dimensional energy-based models.

Diffusion models have recently emerged as powerful learners for simulation-based inference (SBI), enabling fast and accurate estimation of latent parameters from simulated and real data. Their score-based formulation offers a flexible way to learn conditional or joint distributions over parameters and observations, thereby providing a versatile solution to various modeling problems. In this tutorial review, we synthesize recent developments on diffusion models for SBI, covering design choices for training, inference, and evaluation. We highlight opportunities created by various concepts such as guidance, score composition, flow matching, consistency models, and joint modeling. Furthermore, we discuss how efficiency and statistical accuracy are affected by noise schedules, parameterizations, and samplers. Finally, we illustrate these concepts with case studies across parameter dimensionalities, simulation budgets, and model types, and outline open questions for future research.

Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs. Reliable deployment therefore requires robust OOD detection, yet this is particularly challenging for irregular 3D graphs that combine continuous geometry with categorical identities and are unordered by construction. Here, we present a probabilistic OOD detection framework for complex 3D graph data built on a diffusion model that learns a density of the training distribution in a fully unsupervised manner. A key ingredient we introduce is a unified continuous diffusion over both 3D coordinates and discrete features: categorical identities are embedded in a continuous space and trained with cross-entropy, while the corresponding diffusion score is obtained analytically via posterior-mean interpolation from predicted class probabilities. This yields a single self-consistent probability-flow ODE (PF-ODE) that produces per-sample log-likelihoods, providing a principled typicality score for distribution shift. We validate the approach on protein-ligand complexes and construct strict OOD datasets by withholding entire protein families from training. PF-ODE likelihoods identify held-out families as OOD and correlate strongly with prediction errors of an independent binding-affinity model (GEMS), enabling a priori reliability estimates on new complexes. Beyond scalar likelihoods, we show that multi-scale PF-ODE trajectory statistics - including path tortuosity, flow stiffness, and vector-field instability - provide complementary OOD information. Modeling the joint distribution of these trajectory features yields a practical, high-sensitivity detector that improves separation over likelihood-only baselines, offering a label-free OOD quantification workflow for geometric deep learning.

The way humans interact with each other, including interpersonal distances, spatial configuration, and motion, varies significantly across different situations. To enable machines to understand such complex, context-dependent behaviors, it is essential to model multiple people in relation to the surrounding scene context. In this paper, we present a novel research problem to model the correlations between two people engaged in a shared interaction involving an object. We refer to this formulation as Human-Human-Object Interactions (HHOIs). To overcome the lack of dedicated datasets for HHOIs, we present a newly captured HHOIs dataset and a method to synthesize HHOI data by leveraging image generative models. As an intermediary, we obtain individual human-object interaction (HOIs) and human-human interaction (HHIs) from the HHOIs, and with these data, we train an text-to-HOI and text-to-HHI model using score-based diffusion model. Finally, we present a unified generative framework that integrates the two individual model, capable of synthesizing complete HHOIs in a single advanced sampling process. Our method extends HHOI generation to multi-human settings, enabling interactions involving more than two individuals. Experimental results show that our method generates realistic HHOIs conditioned on textual descriptions, outperforming previous approaches that focus only on single-human HOIs. Furthermore, we introduce multi-human motion generation involving objects as an application of our framework.

Sampling in score-based diffusion models can be performed by solving either a reverse-time stochastic differential equation (SDE) parameterized by an arbitrary stochasticity function or a probability flow ODE, corresponding to setting this stochasticity function to zero. In this work, we investigate the effect of this stochasticity on the generation process through the evolution of Kullback-Leibler (KL) divergences, obtaining general KL divergence bounds and a novel analysis of the impact of the time-profile of the score error on model performance. For exact score functions, stochasticity has a contractive effect, decreasing KL divergence along the sampling trajectory. For approximate scores, however, a trade-off arises between correcting accumulated errors and amplifying current score errors, meaning stochasticity can either improve or degrade generation performance. Theoretical considerations indicate that the gain from stochasticity depends on the time-localization of the trained model error. We test this in experiments on both toy and benchmark data sets, also comparing the KL divergence evolution with the obtained bounds. We also present a fully analytical example, where all the relevant quantities can be computed, and the optimal stochasticity function can be characterized via an optimal control analysis.