arXiv subjects

Arnaud Doucet

Publications and source records attributed to Arnaud Doucet.

At least 19 recordsLinked to original sources

arXiv2026

Control Variate Score Matching for Diffusion Models

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.

cs.LG↗

arXiv2026

Adversarial Learning of Classifier-Free Guidance Schedules

Modern text-to-image diffusion models rely on classifier-free guidance (CFG) to achieve high image fidelity and text alignment. However, CFG typically applies a static, global scale across all timesteps, samples, and conditions -- a choice that is generally suboptimal and can introduce artifacts, as different states may benefit from different levels of guidance. While time-varying schedules are known to improve quality, designing them by hand is non-trivial and application-dependent. In this paper, we learn the guidance schedule as a function of diffusion time, conditioning and the current noisy sample, in order to better align sampled images with the text prompt. We frame this as a density ratio estimation problem: a discriminator is trained to estimate the time-dependent log-density ratio between the true and guided marginal distributions, while a lightweight generator network predicts the optimal, state-dependent guidance scale. Empirically, our approach outperforms both heuristic CFG schedules and prior methods for learning dynamic guidance on text-to-image generation benchmarks.

cs.LG↗

arXiv2026

Causal Falsification of Digital Twins

Digital twins are simulation-based models designed to predict how a real-world process will evolve in response to interventions. This modelling paradigm holds substantial promise in many applications, but rigorous procedures for assessing their accuracy are essential for safety-critical settings. We consider how to assess the accuracy of a digital twin using real-world data. We formulate this as a causal inference problem, which leads to a precise definition of what it means for a twin to be "correct". Unfortunately, fundamental results from causal inference mean observational data cannot be used to certify a twin in this sense unless potentially tenuous assumptions are made, such as that the data are unconfounded. To avoid these assumptions, we propose instead to find situations in which the twin is not correct, and present a general-purpose statistical procedure for doing so. Our approach yields reliable and actionable information about the twin under only the assumption of an i.i.d. dataset of observational trajectories, and remains sound even if the data are confounded. We apply our methodology to a large-scale, real-world case study involving sepsis modelling within the Pulse Physiology Engine, which we assess using the MIMIC-III dataset of ICU patients.

stat.ME↗

arXiv2026

DiffusionGemma Technical Report

We introduce DiffusionGemma, an experimental open-weight language model that uses discrete diffusion to generate text at exceptionally high speed. Rather than decoding one token at a time, DiffusionGemma iteratively refines blocks of 256 tokens in parallel, avoiding the sequential decoding bottleneck of conventional autoregressive (AR) large language models. Instead of training from scratch, we obtain DiffusionGemma by fine-tuning the mixture-of-experts Gemma 4 model with 3.8B activated and 25.2B total parameters. Our compute-efficient two-stage training pipeline uses fewer than 10% of the starting AR model's total training token budget. The first stage uses supervised fine-tuning to teach bidirectional denoising, while the second stage combines reinforcement learning with sampler distillation to jointly improve generation quality and inference efficiency. DiffusionGemma establishes a new Pareto frontier for the trade-off between generation speed and model capability. Averaged across our full evaluation suite, it generates around 20 tokens per forward pass and achieves roughly 1,500 output tokens per second on a single NVIDIA H100 GPU, which is substantially faster than AR models even with state-of-the-art speculative decoding. DiffusionGemma also retains the starting model's support for thinking mode, multimodal inputs, and long contexts. Despite diffusion fine-tuning, it remains capable of AR generation with only minor performance degradation, suggesting a path toward hybrid diffusion-AR decoding.

cs.CL↗

arXiv2026

BayesAME: Bayesian Active Model Evaluation

Evaluating large generative models across benchmarks is time-consuming and computationally expensive. This drives the need for methods that can estimate full benchmark performance by evaluating models on only a subset of items, known as a coreset. Current literature mostly requires the practitioner to input a coreset size. However, when reliable performance estimation takes priority over efficiency, an evaluation method should also be capable of automatically determining a coreset size that reflects this priority. We introduce BayesAME, a sequential Bayesian framework specifically targeting automatic determination of the coreset size. BayesAME models performance as a random variable by defining a latent ability for each group of items sharing the same historical model performances, with a joint prior distribution encoding the belief that the target model behaves similarly to these historical models. The posterior distribution over these abilities is used to derive performance estimators, quantify performance uncertainty, and select items to add to the coreset via an information-gain criterion. The coreset is iteratively augmented until the performance estimate fluctuation and the performance uncertainty fall below their respective user-defined thresholds. We propose a multi-target extension that captures performance correlations across multiple target models to further reduce the coreset size. Through extensive experiments across diverse benchmarks, we demonstrate that BayesAME consistently outperforms sequential adaptations of existing methods. Crucially, our comprehensive analysis addresses recent skepticism in the literature, establishing that non-random coreset selection is advantageous over random selection. Finally, we highlight that leveraging continuous response log-likelihoods over traditional binary scores significantly enhances estimation accuracy.

cs.LG↗

arXiv2026

Spectral Diffusion Processes

Diffusion models have proven to be a flexible and effective framework for modelling probability distributions on finite-dimensional spaces. However, many physical modelling problems such as time series are naturally described over function spaces. In this work we apply diffusion models to such stochastic processes. To do so we consider a spectral representation of the data, obtained using a kernel, thereby dissociating the stochastic part of the processes from their space-time structure. As a result, the stochasticity of the processes is entirely encoded in the spectral coefficients, which we truncate and model using standard finite-dimensional diffusion models. By truncating the representation in the spectral domain we ensure our resulting model defines valid stochastic processes, thereby naturally satisfying consistency and exchangeability criteria. Projecting our spectral diffusion models back to the original input space, we show that for any given marginals our approach corresponds to a diffusion model with correlated noise, with explicit covariance matrix given by the kernel. We demonstrate our method's effectiveness for modelling various multimodal datasets as well as conditional sampling by amortising our models with respect to a context set.

stat.ML↗

arXiv2026

Diffusion Fine-tuning with Rewarded Moment Matching Distillation

Distillation and Reinforcement Learning (RL) fine-tuning are the primary pillars of diffusion post-training. While traditionally studied in isolation, the interaction between these phases remains poorly understood, and in particular how fine-tuning impacts the generative quality of distilled models. We introduce Rewarded Moment Matching Distillation (RMMD), a novel framework that simultaneously distills diffusion models and maximizes a reward function. RMMD preserves the high-fidelity ``naturalness'' characteristic of advanced distillation (such as 8-step Moment Matching) by adapting the sampling loop for on-policy training and repurposing the distillation loss as a proxy for integral KL regularization. By evaluating the FID-Reward Pareto fronts on ImageNet, we demonstrate that RMMD achieves superior trade-offs compared to single-step baselines (DI++) and multi-step competitors (DRaFT, HyperNoise). Finally, we apply RMMD to GenCast, a state-of-the-art weather forecasting model, to distill it while optimizing the Continuous Ranked Probability Score (CRPS) metric. The resulting distilled model achieves a 7.5x speedup while outperforming the teacher model on 93% of target weather variables, and being better calibrated. This proves that RMMD scales to complex, high-dimensional scientific domains.

cs.LG↗

arXiv2026

Accelerating Speculative Diffusions via Block Verification

Speculative decoding speeds up LLM inference by using a draft model to generate tokens, with an acceptance-rejection scheme that ensures that the output matches the target distribution. Adapting this to continuous diffusions is difficult because speculative sampling requires drawing from a residual distribution. While straightforward in discrete spaces, efficiently sampling this residual in continuous space is non-trivial. Consequently, existing diffusion adaptations either use computationally inefficient sampling techniques or rely on an alternative scheme. In this work, we introduce a novel scheme that efficiently implements the original speculative sampling mechanism for diffusion models. Our approach offers a critical advantage over current methods: it enables us to adapt block verification from LLMs to diffusions -- which provably improves the acceptance rate of drafts. Furthermore, we formalize and analyze the Free Drafter, a heuristic self-speculative drafter for diffusions that requires no training. By enabling block verification, our Free Drafter yields up to a 6.3% speedup over existing speculative methods with no additional training and negligible overhead beyond the existing parallel verification pass.

cs.LG↗

arXiv2026

SURF: Separation via Unsupervised Remixing Flow

The goal of single-channel source separation is to reconstruct $K$ sources given their mixture. In supervised settings where vast amounts of clean source data are available, this challenging, ill-posed problem has been addressed successfully by generative diffusion and flow-based prior models. However, access to such clean source samples is often limited, and even when available, supervised models are vulnerable to domain shifts. To bridge this gap, we present Separation via Unsupervised Remixing Flow (SURF), an unsupervised flow matching approach for source separation that learns directly from observed mixtures. This method relies on a novel combination of state-of-the-art supervised flow matching and regression-based self-supervised techniques. At a high level, starting from a teacher model, we utilize a "remixing" step to bootstrap the learning of a student flow model from the teacher's estimates. We provide insights into the objectives optimized by this approach and draw a novel connection to the Wake-Sleep algorithm. Empirical evaluations on image and audio benchmarks demonstrate that SURF establishes a new state-of-the-art, significantly outperforming existing unsupervised methods. See our demo page for examples. https://google.github.io/df-conformer/surf/

cs.SD↗

arXiv2026

Permutation-Invariant Spectral Learning via Dyson Diffusion

Diffusion models are central to generative modeling and have been adapted to graphs by diffusing adjacency matrix representations. The challenge of having up to $n!$ such representations for graphs with $n$ nodes is only partially mitigated by using permutation-equivariant learning architectures. Despite their computational efficiency, existing graph diffusion models struggle to distinguish certain graph families and their spectra, unless graph data are augmented with ad hoc features. This shortcoming stems from enforcing the inductive bias within the learning architecture. In this work, we leverage random matrix theory to analytically extract the spectral properties of the diffusion process, allowing us to push most of the inductive bias from the architecture into the dynamics. Building on this, we introduce the Dyson Diffusion Model, which employs Dyson's Brownian motion to capture the spectral dynamics of an Ornstein-Uhlenbeck process on the adjacency matrix. Furthermore, conditioned on the spectral dynamics, we formulate a Lie group diffusion, appropriately modeling the remaining degrees of freedom. Strikingly, the resulting learning problem becomes permutation invariant at the Lie algebra level. We demonstrate that the Dyson Diffusion Model learns graph spectra accurately and outperforms existing graph diffusion models.

stat.ML↗

arXiv2026

On the Wasserstein Gradient Flow Interpretation of Drifting Models

Recently, Deng et al. (2026) proposed Generative Modeling via Drifting (GMD), a novel framework for generative tasks. This note presents an analysis of GMD through the lens of Wasserstein Gradient Flows (WGF), i.e., the path of steepest descent for a functional in the space of probability measures, equipped with the geometry of optimal transport. Unlike previous WGF-based contributions, GMD can be thought of as directly targeting a fixed point of a specific WGF flow. We demonstrate three main results: first, that one algorithm proposed by Deng et al. (2026) corresponds to finding the limiting point of a WGF on the KL divergence, with Parzen smoothing on the densities. Second, that the algorithm actually implemented by Deng et al. (2026) corresponds to a different procedure, which bears some resemblance to the fixed point of a WGF on the Sinkhorn divergence, but lacks certain desirable properties of the latter. Third, the same same idea can be extended to the limiting point of other WGFs, including the Maximum Mean Discrepancy (MMD), the sliced Wasserstein distance, and GAN critic functions.

cs.LG↗

arXiv2026

Metropolis-Adjusted Diffusion Models

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.

stat.ML↗

arXiv2026

Accelerated Parallel Tempering via Neural Transports

Markov Chain Monte Carlo (MCMC) algorithms are essential tools in computational statistics for sampling from unnormalised probability distributions, but can be fragile when targeting high-dimensional, multimodal, or complex target distributions. Parallel Tempering (PT) enhances MCMC's sample efficiency through annealing and parallel computation, propagating samples from tractable reference distributions to intractable targets via state swapping across interpolating distributions. The effectiveness of PT is limited by the often minimal overlap between adjacent distributions in challenging problems, which requires increasing the computational resources to compensate. We introduce a framework that accelerates PT by leveraging neural samplers -- including normalising flows, diffusion models, and controlled diffusions -- to reduce the required overlap. Our approach utilises neural samplers in parallel, circumventing the computational burden of neural samplers while preserving the asymptotic consistency of classical PT. We demonstrate theoretically and empirically on a variety of multimodal sampling problems that our method improves sample quality, reduces the computational cost compared to classical PT, and enables efficient free energy/normalising constant estimation.

stat.ML↗

arXiv2026

Self-Speculative Masked Diffusions

We present self-speculative masked diffusions, a new class of masked diffusion generative models for discrete data that require significantly fewer function evaluations to generate samples. Standard masked diffusion models predict factorized logits over currently masked positions. A number of masked positions are then sampled, however, the factorization approximation means that sampling too many positions in one go leads to poor sample quality. As a result, many simulation steps and therefore neural network function evaluations are required to generate high-quality data. We reduce the computational burden by generating non-factorized predictions over masked positions. This is achieved by modifying the final transformer attention mask from non-causal to causal, enabling draft token generation and parallel validation via a novel, model-integrated speculative sampling mechanism. This results in a non-factorized predictive distribution over masked positions in a single forward pass. We apply our method to GPT2 scale text modelling and protein sequence generation, finding that we can achieve a ~2x reduction in the required number of network forward passes relative to standard masked diffusion models.

stat.ML↗

arXiv2025

Optimised Annealed Sequential Monte Carlo Samplers

Annealed Sequential Monte Carlo (ASMC) samplers are special cases of SMC samplers where the sequence of distributions can be embedded in a smooth path of distributions. Using this underlying path and a performance model based on the variance of the normalising constant estimator, we systematically study dense-schedule limits. From our theory emerges a notion of global barrier, capturing the inherent complexity of normalising constant approximation under our performance model. We then turn the resulting approximations into surrogate objective functions of algorithm performance, using them to guide method development. This leads to novel adaptive methods, Optimised Annealed SMC (OASMC), which address practical difficulties inherent in previous adaptive SMC methods. First, our OASMC algorithms are predictable: they produce a sequence of increasingly precise estimates at deterministic, known times. Second, Optimised Annealed Importance Sampling (OAIS), a special case of OASMC, enables schedule adaptation at a memory cost constant in the number of particles, requiring significantly less communication. Finally, these characteristics make OAIS highly efficient on GPUs. We provide an open-source, high-performance GPU implementation of our method and demonstrate up to a hundred-fold speed improvement compared to state-of-the-art adaptive AIS methods.

stat.CO↗

arXiv2025

Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities

Sampling efficiently from a target unnormalized probability density remains a core challenge, with relevance across countless high-impact scientific applications. A promising approach towards this challenge is the design of amortized samplers that borrow key ideas, such as probability path design, from state-of-the-art generative diffusion models. However, all existing diffusion-based samplers remain unable to draw samples from distributions at the scale of even simple molecular systems. In this paper, we propose Progressive Inference-Time Annealing (PITA), a novel framework to learn diffusion-based samplers that combines two complementary interpolation techniques: I.) Annealing of the Boltzmann distribution and II.) Diffusion smoothing. PITA trains a sequence of diffusion models from high to low temperatures by sequentially training each model at progressively higher temperatures, leveraging engineered easy access to samples of the temperature-annealed target density. In the subsequent step, PITA enables simulating the trained diffusion model to procure training samples at a lower temperature for the next diffusion model through inference-time annealing using a novel Feynman-Kac PDE combined with Sequential Monte Carlo. Empirically, PITA enables, for the first time, equilibrium sampling of N-body particle systems, Alanine Dipeptide, and tripeptides in Cartesian coordinates with dramatically lower energy function evaluations. Code available at: https://github.com/taraak/pita

cs.LG↗

arXiv2025

Learn to Guide Your Diffusion Model

Classifier-free guidance (CFG) is a widely used technique for improving the perceptual quality of samples from conditional diffusion models. It operates by linearly combining conditional and unconditional score estimates using a guidance weight $ω$. While a large, static weight can markedly improve visual results, this often comes at the cost of poorer distributional alignment. In order to better approximate the target conditional distribution, we instead learn guidance weights $ω_{c,(s,t)}$, which are continuous functions of the conditioning $c$, the time $t$ from which we denoise, and the time $s$ towards which we denoise. We achieve this by minimizing the distributional mismatch between noised samples from the true conditional distribution and samples from the guided diffusion process. We extend our framework to reward guided sampling, enabling the model to target distributions tilted by a reward function $R(x_0,c)$, defined on clean data and a conditioning $c$. We demonstrate the effectiveness of our methodology on low-dimensional toy examples and high-dimensional image settings, where we observe improvements in Fréchet inception distance (FID) for image generation. In text-to-image applications, we observe that employing a reward function given by the CLIP score leads to guidance weights that improve image-prompt alignment.

cs.LG↗

arXiv2025

Source Separation by Flow Matching

We consider the problem of single-channel audio source separation with the goal of reconstructing $K$ sources from their mixture. We address this ill-posed problem with FLOSS (FLOw matching for Source Separation), a constrained generation method based on flow matching, ensuring strict mixture consistency. Flow matching is a general methodology that, when given samples from two probability distributions defined on the same space, learns an ordinary differential equation to output a sample from one of the distributions when provided with a sample from the other. In our context, we have access to samples from the joint distribution of $K$ sources and so the corresponding samples from the lower-dimensional distribution of their mixture. To apply flow matching, we augment these mixture samples with artificial noise components to match the dimensionality of the $K$ source distribution. Additionally, as any permutation of the sources yields the same mixture, we adopt an equivariant formulation of flow matching which relies on a neural network architecture that is equivariant by design. We demonstrate the performance of the method for the separation of overlapping speech.

cs.SD↗