Probabilistic multivariate time series (MTS) forecasting is crucial for modeling complex dynamical systems. However, existing diffusion-based methods rely on task-specific conditional paradigms that lack flexibility and struggle with inherent "information heterogeneity"--the significantly varying noise levels and evolutionary patterns across variables. To address this, we propose DynG-Diff, a variable-sensitive dynamic guidance diffusion framework for probabilistic multivariate time-series forecasting: (1) DynG-Diff adopts a two-stage separated training strategy and uses an unconditional diffusion backbone to model the joint distribution of multivariate time series. (2) DynG-Diff introduces a lightweight state-aware policy network that adaptively infers variable reliability from real-time noisy states and one-step denoising estimates, outputting a dynamic guidance strength matrix. (3) DynG-Diff mathematically formulates this dynamic weight as the local precision of the observation distribution, enabling precise guidance for high-confidence variables during inference while filtering out interference from anomalous noise. Extensive experiments on real-world benchmarks demonstrate competitive probabilistic forecasting performance against state-of-the-art conditional diffusion models and improved robustness under severe observation corruption.The implementation code is available at: https://github.com/TT-20011031/DynG-Diff
We study a class of product-reference diffusion algorithms for sampling from a discrete distribution. We show that their sampling performance can be characterized using a path-based measure of data geometry that we call the interaction growth complexity (IGC). We show that a bivariate IGC kernel gives an exact representation of both the KL discretization error and a simple one-step upper bound. The simpler univariate IGC density can be used to study the effect of stepsize choices on the iteration complexity required to obtain $ε$-accurate samples in KL divergence. Samplers that traverse the path with equi-spaced steps in log-squared-reliability-odds have performance that depends on the aggregate IGC mass, whereas refined choices of stepsizes have a lower complexity depending on a square-root functional. In the fine-grid limit, both of these characterizations become sharp. We also allow general product reference distributions and show that the reference law can substantially reshape the IGC profile and the resulting sampling complexity; in particular, references far from both the uniform and the data marginals can yield dimension-dependent improvements. Finally, the aggregate IGC mass admits bounds in terms of total correlation and dual total correlation, thereby connecting the pathwise geometry to classical measures of multivariate dependence.
Denoising score matching trains diffusion models by regressing onto a conditional score, although generation ultimately requires the marginal score. The two objectives share the same population minimizer, but the conditional target remains random at fixed noisy state and introduces an irreducible excess in the training loss. We isolate this excess and show that, for a general corruption kernel under mild regularity assumptions, it is exactly the trace of the Fisher--Rao metric of the conditional endpoint family, integrated along the diffusion trajectory. This gives an exact conditional-variance decomposition of the denoising objective and identifies the information geometry observed in diffusion latent spaces as an intrinsic component of the training loss. We derive the result from a Schr"odinger bridge variational principle, in which the ideal objective arises as excess path-space relative entropy. For corruption diffusions, the Fisher term is proportional to the rate at which the noisy state loses mutual information about the clean data, separating the loss floor into an information flow determined by the data and a weight determined by the corruption schedule and objective. In the Gaussian case, this yields a closed form for the floor, recovers reparametrization invariance of the continuous-time objective, and relates its high-SNR divergence to the information dimension of the data. Finally, we show that raw losses obtained with different noise ranges or weightings need not rank models consistently because they contain different additive floors, and contrast the second-order geometry seen by training with the third-order conditional statistics entering numerical sampling error.
Diffusion models are widely used as priors for linear inverse problems, yet endpoint quality does not reveal when measurement information enters reverse denoising or how it is allocated across signal directions. We study this process through the smoothed likelihood force, the difference between exact posterior and prior scores at each noise level. For a fixed measurement, its expected squared norm gives both posterior--prior relative-entropy dissipation and reverse-path relative-entropy growth. Averaging over measurements yields an information--minimum mean-square error (I-MMSE) identity linking information gain to denoising-error reduction. Under finite second moments, the force energy and its ratio to prior-score energy decay quadratically in the noising kernel's signal coefficient at high noise. Solvable models show that conditioning removes class separation already explained by the measurement, reduces a uniform index entropy over \(n\) empirical samples from \(\log n\) to \(H(I\mid r)\), and makes assimilation depend on operator--prior alignment even for identical singular values. Experiments in models with tractable posteriors evaluate these predictions. In a separate illustration with a frozen FFHQ model, masks sharing the same spectrum yield different prior-normalized null-space trajectory statistics.
Chenghan Xie, Jose Blanchet, Renyuan Xustat.ML cs.LG math.OC
Estimating the difference of two Stein's score functions is a fundamental problem in generative modeling. In particular, score differences arise naturally in transfer learning, where the score difference provides the mechanism for adapting a pre-trained model to a new target distribution, and in diffusion model-based post-training methods such as discriminator guidance. Existing estimators for score differences in these settings either lack of statistical consistency or are difficult to scale up in high-dimensions. We propose a statistically consistent and scalable estimator for score differences based on Sobolev regularization, which plays a crucial role in ensuring consistency and stablizing the training in the small-sample regime. Mathematically, we establish a convergence rate of $O(n^{-\frac{s-1}{d+2s-2}})$ where $d$ is the dimension and $s$ denotes the smoothness of the underlying densities, and provide a minimax lower bound of $\tildeΩ(n^{-\frac{2(s-1)}{d+2s}})$ (in mean-squared error). Empirically, our estimator exhibits significantly improved stability in small-sample regimes compared to existing methods. We demonstrate its effectiveness on real-world tasks, including transfer learning for ECG signal generation, where it substantially outperforms non-regularized score difference estimators in downstream classification performance.
Ali Boudaghi, Alireza Nemati, Hadi Zarecs.LG cs.AI stat.ML
Diffusion models have recently shown strong potential for multivariate time-series anomaly detection by learning the distribution of normal data through iterative denoising. Existing diffusion-based approaches, however, typically perform anomaly detection after completing the reverse diffusion process, relying primarily on the final reconstructed signal and overlooking informative representations produced during denoising. This design incurs substantial computational cost and limits the use of intermediate diffusion information for anomaly detection. In this paper, we propose FirstDiff, a diffusion-based anomaly detection framework based on the observation that the predicted diffusion noise at the initial reverse-diffusion evaluation already contains sufficient information for accurate anomaly detection. FirstDiff models the statistical distribution of predicted diffusion noise under normal behavior using validation data, enabling anomaly inference from a single denoising-network evaluation rather than completing the reverse diffusion trajectory. To model complex temporal and inter-sensor dependencies, FirstDiff employs a Diffusion Transformer as the denoising backbone. Extensive experiments on five public benchmark datasets demonstrate that FirstDiff achieves state-of-the-art performance while reducing diffusion inference from the full reverse trajectory to a single denoising-network evaluation.
Martin J. Wainwrightcs.LG cs.AI cs.IT math.ST stat.ML
We study masking diffusion for discrete sampling and introduce a path-resolved measure of data geometry called the \emph{unmasking growth complexity} ({\textsf{UGC}\xspace}). Its local increments directly control Kullback--Leibler (KL) discretization error, yielding a unified analysis of Bernoulli-subset and fixed-cardinality unmasking schemes. In log-reveal-odds coordinates, this structure yields optimized single-block and multi-block schedules, and quantifies the gains from adapting computational effort to data geometry. Crucially, we show how {\textsf{UGC}\xspace} increments can be estimated from samples via KL increments along coupled reveal trajectories. This leads to \emph{certified-optimal} samplers that achieve a prescribed KL error with high probability and iteration complexity within a constant factor of the corresponding oracle procedure. Collapsing the \ugc path yields the aggregate {\textsf{UGC}\xspace} mass, which connects to classical multivariate dependence measures and complexity measures from previous analyses of discrete diffusion. In the fine-partition limit, the squared integral of the square-root {\textsf{UGC}\xspace} density determines the sharp leading-order optimal Euler discretization error. Examples exhibit substantial dimension-dependent gains over coarse schedules, including $\widetildeΩ(\sqrt{d})$ improvements achievable with a constant number of adaptively placed blocks.
Diffusion models are increasingly used as controllable samplers, whose generations can be steered at inference time according to a chosen reward function. While such rewards are typically defined on individual samples, for many applications it is desirable to steer according to distribution-level rewards, for example to calibrate with population-level information or to encourage diversity. In both cases, simply incorporating the reward gradient into the dynamics, while often effective, comes with few theoretical guarantees on the sampled distribution. For pointwise rewards, recent work has therefore sought to develop a principled framework for targeting a prescribed tilted distribution using particle reweighting. However, an analogous theoretically-grounded approach for distributional rewards is currently lacking. In this work, we formulate inference-time distributional control as targeting a tilted measure under a mean-field framework, and derive a weighted interacting particle scheme to target it in a principled manner. Our framework recovers pointwise-reward steering as a special case, while providing a theoretical foundation for existing batch-level steering methods. Empirically, we verify that the procedure correctly targets the prescribed distribution in tractable low-dimensional settings, and investigate its behaviour in higher-dimensional protein conformation tasks.
This work proposes deep nonparametric Instrumental variable quantile regression (IVQR), a two-stage estimator that combines conditional diffusion modeling with a kernel-smoothed conditional moment formulation. In the first stage, we estimate the joint conditional distribution of the outcome and endogenous covariates given the instrument using a variance-preserving conditional diffusion model. In the second stage, we approximate the conditional moment operator through Monte Carlo sampling and a kernel-smoothed surrogate for the indicator function, and then estimate the structural quantile function by empirical risk minimization over deep neural networks. We establish an excess-risk bound for the proposed estimator and derive end-to-end total variation guarantees for the conditional diffusion model under unbounded support, explicitly accounting for score estimation, early stopping, and discretization errors. Our theory is developed under a polynomial-tail envelope on the data distribution and degenerates continuously to the exponential setting: as the tail index grows, the obtained excess-risk rate converges to the minimax-optimal rate of nonparametric regression, thus our heavy-tailed theory covers the classical light-tailed nonparametric guarantees as a limiting case. Simulation studies and a real-data application demonstrate that the proposed method outperforms existing nonparametric IVQR approaches, with gains that become increasingly pronounced as the dimensionality of the covariates and instruments increases.
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.
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.
Nitish Nagesh, Mahdi Bagheri, Amir M. Rahmanics.LG
Synthetic tabular data is increasingly used in privacy-preserving data sharing, data augmentation, and to mitigate downstream classifier bias. State-of-the-art tabular diffusion models such as TabDDPM and TabSyn achieve excellent distributional fidelity but offer no mechanism for fairness; conversely, fairness-aware tabular generators (DECAF, FairTGAN, FairTabDDPM) impose explicit fairness penalties at training time, yielding modest fairness gains at substantial cost to either sample quality or downstream utility. We introduce FairDiffuseVQVAE, a two-stage architecture that decouples fidelity from fairness: a vector-quantized autoencoder with a row-level discriminator (Stage~1, no fairness terms) is followed by a DiffuseVAE-style continuous diffusion refiner that conditions on both the Stage-1 reconstruction and the protected attribute via classifier-free guidance (Stage~2). Fairness emerges as a property of the sampling distribution -- uniform sampling of the protected attribute at inference time enforces demographic parity by construction, rather than from competing loss terms. On the Adult, Bank and COMPAS datasets, FairDiffuseVQVAE achieves the highest mean Demographic Parity Ratio ($0.702$, $+47\%$ over FairTabDDPM) and Equalized Odds Ratio ($0.686$, $+100\%$). It also attains the lowest mean pair-wise correlation error ($0.034$) of any published method, while explicitly trading $\sim$$15$ AUC points for these fairness gains.
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.
Conditional diffusion models have become a powerful and flexible framework for learning complex conditional distributions from labeled data. In practice, however, acquiring high-quality labels is costly and time-consuming, leaving large volumes of unlabeled data unused. To address this, we introduce label-augmented conditional diffusion (LACD), a simple and effective approach that incorporates unlabeled examples by assigning them a designated trivial label and performing joint denoising score matching over the augmented dataset. We provide sufficient conditions guaranteeing population-level identifiability of the target conditional distribution under this scheme. Moreover, we establish rigorous statistical guarantees: when sufficiently many unlabeled samples are available, the sampling distribution produced by LACD converges strictly faster than the purely supervised estimator in total variation distance, and at least as fast in Wasserstein-1 distance. Extensive experiments on synthetic, image, and tabular benchmarks corroborate our theory and show substantial gains in sample efficiency and generative performance compared with the purely supervised estimator.
Sampling from multimodal distributions is a longstanding challenge for classical local Markov chain Monte Carlo (MCMC) methods. A popular remedy is to introduce a sequence of intermediate distributions that interpolate between the target and a simpler reference. The classical choice, tempering, raises the density to a power, but distorts the relative weights of asymmetric modes and can lead to poor mixing. We instead propose interpolating along the diffusion path, the marginals of a noising diffusion process that carries the target toward a Gaussian. This path preserves the relative weights of the modes and enjoys favorable mixing properties, which we make precise through a spectral-gap analysis of the corresponding ideal transition kernel. Sampling along the path requires its intermediate scores, which can be estimated from the unnormalized target through variational approaches, yielding only an approximate sampler. To remove the resulting bias, we introduce the Metropolis-adjusted diffusion path (MAD-Path) sampler, which corrects the diffusion-path proposal in an augmented path space and leaves the target invariant regardless of the accuracy of the learned score or the discretization error. We further quantify how these two errors affect the acceptance probability, providing guidance for practical tuning. Experiments on a range of Bayesian posteriors show that MAD-Path improves global exploration and mode-weight estimation relative to tempering-based MCMC methods and unadjusted diffusion samplers.
Pascal Jutras-Dubé, Patrick Pynadath, Jeremy Lu +2cs.LG stat.ML
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.
Robert Gruhlke, Julius Berner, David Sommer +1stat.ML cs.LG
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.
The use of ordinary and stochastic differential equations has led to substantial progress in generative machine learning with applications to, for example, image, video and biomolecule generation. This paper provides a self-contained and informal introduction to the differential equations, the probabilistic framework for using them in generative modeling and the Fokker--Planck equation that governs the temporal evolution of the marginal distribution of the stochastic variables of the differential equations. The variational lower bound on the log-likelihood (the evidence lower bound, ELBO) is derived and used as a general starting point for a discussion of diffusion models, score matching, and flow matching. All of these approaches may be viewed as specific parameterizations of the most general variational approach. A one-dimensional density modeling problem is used as a simple example to compare different parameterizations.
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.
Modeling and sampling from the underlying distribution of asynchronous event sequences are crucial in various real-world applications, including social networks, medical diagnosis, and financial transactions. Existing autoregressive methods suffer from error accumulation during multi-step generation, while non-autoregressive diffusion methods are typically limited to fixed-length output sequences. In this paper, we propose Latent Block-Diffusion Temporal Point Processes (LBDTPP), a novel semi-autoregressive TPP framework that introduces a latent block diffusion mechanism for high-quality and variable-length event sequence generation. The core idea is to define an autoregressive probability distribution over event blocks in latent space and perform Gaussian diffusion within each block. By sequentially generating blocks while simultaneously sampling events in each block, LBDTPP preserves the length flexibility of autoregressive TPPs and inherits the parallel high-quality generation capability of diffusion models. Theoretically, we derive Wasserstein error bounds showing that, under suitable local approximation and prefix-stability assumptions, block-wise generation can reduce error accumulation compared with event-wise autoregressive generation. Extensive experiments on six real-world benchmark datasets demonstrate that LBDTPP outperforms state-of-the-art TPP baselines in both unconditional and conditional generation tasks. Further empirical analyses verify the benefits of latent-space diffusion and block-wise generation, and reveal the trade-off between generation quality and block size. Our code is available at https://github.com/Zh-Shuai/LBDTPP.
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.
Continuous-time generative models are often built from endpoint-conditioned bridges, but generation requires a different object: a non-anticipative Markov decoder that only observes the current state and time. We identify this bridge-to-decoder compression as a structural bottleneck shared by diffusion models, flow matching, rectified flow, Schrödinger bridges, and field-based generative models. We introduce the \emph{Markovization gap}, the time-integrated conditional variance of the bridge velocity given the Markov state. It is the MMSE of predicting endpoint-conditioned motion from the information available to a sampler, and it measures an irreducible loss incurred before any neural network is trained. To make this bottleneck comparable across model families, we define \emph{Bridge Graphical Models} (BGMs), which separate endpoint coupling, bridge law, Markovian projection, and current-preserving dynamics representation as independent design choices. The same formalism also represents Poisson and electrostatic models as field-line bridge kernels with a corresponding field-line Markovization gap. Across synthetic, latent, and pixel-space pilots on CIFAR-10 and Fashion-MNIST, a feature-space proxy gap estimated in minutes before training ranks design choices in the same direction as downstream training loss and FID under fixed architecture, bridge, sampler, and compute. These results support the Markovization gap as a pre-training diagnostic for bridge and coupling design.
Diffusion models have become a widely used framework for probabilistic time series forecasting, modeling the distribution of future values given an observed history. In time series forecasting, however, the future continues the observed history, creating an asymmetry the standard diffusion process leaves unaddressed, with slowly-varying content largely determined by the observed continuity while higher-frequency dynamics carry most of the residual uncertainty. Existing diffusion-based forecasters decouple this asymmetry through an external rule before generation, leaving the corruption trajectory blind to which parts of the target the history can already anchor. We propose DiffDiff, a diffusion framework that embeds this predictability asymmetry into the diffusion trajectory itself, so that a single end-to-end diffusion process becomes aware of which parts of the target the history can already anchor. DiffDiff makes the forward operator step-dependent so that the noisy intermediate state progressively shifts from the target itself toward its second-order differenced structure, while a conditioning pathway supplies the denoiser with both value-domain and differential history information balanced by a stage-adaptive gate at each diffusion step. The terminal distribution approaches a standard Gaussian, preserving compatibility with existing samplers. On seven benchmarks across four prediction horizons, DiffDiff outperforms six diffusion baselines, and our analysis confirms that DiffDiff concentrates the diffusion's generative effort on the most uncertain components of the target while relieving it from rebuilding the history-anchored content.
Al Zadid Sultan Bin Habib, Md Younus Ahamed, Prashnna Gyawali +2cs.LG cs.AI stat.ML
High-Dimensional Low-Sample Size (HDLSS) tabular domains (e.g., omics) are characterized by $n \ll m$, where $n$ = number of samples, and $m$ = number of features. Such domains often exhibit strong local correlation groups, sparse cross-group dependencies, heavy-tailed non-Gaussian marginals, heteroscedastic noise, and structured missingness, making direct density learning in $\mathbb{R}^m$ ill-conditioned since $n \ll m$. We propose BSTabDiff, a block-subunit generative framework that partitions the $m$ observed features into $M$ latent blocks ($M \ll m$) and generates each block via a shared low-dimensional subunit variable, concentrating global dependence learning in the compact block-latent space $\mathbb{R}^M$ while decoding to the full feature space with copula-driven dependence, flexible per-feature marginals, and explicit missingness mechanisms. BSTabDiff supports modern deep priors on block latents, including diffusion and normalizing flows, enabling stable synthesis and controllable benchmark generation in the HDLSS regime. Empirically, BSTabDiff produces more realistic and stable high-dimensional synthetic data when compared with unstructured tabular generators on HDLSS data.
Yilin Zheng, Haowei Wang, Szu Hui Ng +1stat.ML cs.LG
Bayesian optimization (BO) is a widely used approach for black-box optimization that uses a Gaussian process (GP) as a surrogate and guides sequential evaluations via an acquisition function, with the ultimate goal of locating the global optimum $\mathbf{x}^{\star}$. To align with this goal, information-based acquisition functions such as Predictive Entropy Search (PES) model $\mathbf{x}^{\star}$ as a random variable and reduce the entropy of its distribution, but approximating this distribution via traditional GP posterior sampling is computationally expensive. To address this limitation, we leverage Conditional Diffusion Models (CDMs) to efficiently approximate the distribution of $\mathbf{x}^{\star}$ and develop BO-inherent training strategies for CDMs. Motivated by the structural properties of the CDM-learned distribution, we further develop an acquisition strategy termed Diffusion-based Mode Seeking (DMS) to guide the sequential evaluation. We establish a sub-optimality guarantee for the CDM-learned distribution and demonstrate through extensive experiments that DMS outperforms standard BO baselines.
Hongfan Gao, Wangmeng Shen, Bin Yang +1stat.ML cs.LG
Diffusion models have demonstrated strong performance in time series modeling due to their ability to progressively capture complex data distributions through iterative denoising. However, existing approaches struggle with frequency-sensitive denoising, high-frequency reconstruction and balancing global trends with local dynamics. To address these limitations, we propose \textbf{HyFAD}, a \textbf{Hy}brid time-frequency \textbf{D}iffusion model with \textbf{F}requency-\textbf{A}ware embedding for time series imputation. Built upon the DDPM paradigm, HyFAD adopts a coupled time-frequency diffusion framework, in which the reverse denoising proceeds sequentially from the time domain to the frequency domain, enabling coarse-to-fine generation. Specifically, the time-domain diffusion process captures low-frequency global trends, while the frequency-domain diffusion process refines high-frequency spectral components. We further introduce a frequency-aware step embedding that exploits the relationship between diffusion steps and spectral components, providing step-dependent spectral guidance and facilitates more accurate band-wise reconstruction. Extensive experiments on multiple benchmark datasets demonstrate that HyFAD achieves state-of-the-art performance. Our source code is available at https://github.com/hongfangao/HyFAD.
Henry Moss, Lachlan Astfalck, Thomas Cowperthwaite +5stat.ML cs.LG stat.ME
Gaussian processes (GPs) offer a principled probabilistic model over functions, but exact inference is restricted to the linear-Gaussian regime. We establish an explicit equivalence between GPs and a class of linear diffusion models, recasting predictive sampling as an ODE with closed-form Gaussian dynamics and a likelihood-dependent guidance term that admits a simple Monte Carlo approximation. In the linear-Gaussian setting, we recover standard GP conditioning exactly; beyond conjugacy, the same machinery handles any conditioning statement admitting point-wise likelihood evaluation -- including non-linear physics, and, for the first time, natural language via large language models. Whitening isolates the irreducible non-Gaussian dynamics, minimising Wasserstein-2 transport cost and eliminating numerical stiffness. The result is a general-purpose GP inference scheme requiring no bespoke derivations. Together, these results provide a general mechanism for incorporating the full richness of real-world knowledge as conditioning information, opening a new frontier for the probabilistic modelling of real-world problems.