Conditional Diffusion Models with Classifier-Free Gibbs-like Guidance

Classifier-Free Guidance (CFG) is a widely used technique for improving conditional diffusion models by linearly combining the outputs of conditional and unconditional denoisers. While CFG enhances visual quality and improves alignment with prompts, it often reduces sample diversity, leading to a challenging trade-off between quality and diversity. To address this issue, we make two key contributions. First, CFG generally does not correspond to a well-defined denoising diffusion model (DDM). In particular, contrary to common intuition, CFG does not yield samples from the target distribution associated with the limiting CFG score as the noise level approaches zero -- where the data distribution is tilted by a power $w \gt 1$ of the conditional distribution. We identify the missing component: a R\'enyi divergence term that acts as a repulsive force and is required to correct CFG and render it consistent with a proper DDM. Our analysis shows that this correction term vanishes in the low-noise limit. Second, motivated by this insight, we propose a Gibbs-like sampling procedure to draw samples from the desired tilted distribution. This method starts with an initial sample from the conditional diffusion model without CFG and iteratively refines it, preserving diversity while progressively enhancing sample quality. We evaluate our approach on both image and text-to-audio generation tasks, demonstrating substantial improvements over CFG across all considered metrics. The code is available at https://github.com/yazidjanati/cfgig

A Mixture-Based Framework for Guiding Diffusion Models

Denoising diffusion models have driven significant progress in the field of Bayesian inverse problems. Recent approaches use pre-trained diffusion models as priors to solve a wide range of such problems, only leveraging inference-time compute and thereby eliminating the need to retrain task-specific models on the same dataset. To approximate the posterior of a Bayesian inverse problem, a diffusion model samples from a sequence of intermediate posterior distributions, each with an intractable likelihood function. This work proposes a novel mixture approximation of these intermediate distributions. Since direct gradient-based sampling of these mixtures is infeasible due to intractable terms, we propose a practical method based on Gibbs sampling. We validate our approach through extensive experiments on image inverse problems, utilizing both pixel- and latent-space diffusion priors, as well as on source separation with an audio diffusion model. The code is available at https://www.github.com/badr-moufad/mgdm

Recursive Learning of Asymptotic Variational Objectives

General state-space models (SSMs) are widely used in statistical machine learning and are among the most classical generative models for sequential time-series data. SSMs, comprising latent Markovian states, can be subjected to variational inference (VI), but standard VI methods like the importance-weighted autoencoder (IWAE) lack functionality for streaming data. To enable online VI in SSMs when the observations are received in real time, we propose maximising an IWAE-type variational lower bound on the asymptotic contrast function, rather than the standard IWAE ELBO, using stochastic approximation. Unlike the recursive maximum likelihood method, which directly maximises the asymptotic contrast, our approach, called online sequential IWAE (OSIWAE), allows for online learning of both model parameters and a Markovian recognition model for inferring latent states. By approximating filter state posteriors and their derivatives using sequential Monte Carlo (SMC) methods, we create a particle-based framework for online VI in SSMs. This approach is more theoretically well-founded than recently proposed online variational SMC methods. We provide rigorous theoretical results on the learning objective and a numerical study demonstrating the method's efficiency in learning model parameters and particle proposal kernels.

Variational Diffusion Posterior Sampling with Midpoint Guidance

Diffusion models have recently shown considerable potential in solving Bayesian inverse problems when used as priors. However, sampling from the resulting denoising posterior distributions remains a challenge as it involves intractable terms. To tackle this issue, state-of-the-art approaches formulate the problem as that of sampling from a surrogate diffusion model targeting the posterior and decompose its scores into two terms: the prior score and an intractable guidance term. While the former is replaced by the pre-trained score of the considered diffusion model, the guidance term has to be estimated. In this paper, we propose a novel approach that utilises a decomposition of the transitions which, in contrast to previous methods, allows a trade-off between the complexity of the intractable guidance term and that of the prior transitions. We validate the proposed approach through extensive experiments on linear and nonlinear inverse problems, including challenging cases with latent diffusion models as priors, and demonstrate its effectiveness in reconstructing electrocardiogram (ECG) from partial measurements for accurate cardiac diagnosis.

Divide-and-Conquer Posterior Sampling for Denoising Diffusion Priors

Interest in the use of Denoising Diffusion Models (DDM) as priors for solving inverse Bayesian problems has recently increased significantly. However, sampling from the resulting posterior distribution poses a challenge. To solve this problem, previous works have proposed approximations to bias the drift term of the diffusion. In this work, we take a different approach and utilize the specific structure of the DDM prior to define a set of intermediate and simpler posterior sampling problems, resulting in a lower approximation error compared to previous methods. We empirically demonstrate the reconstruction capability of our method for general linear inverse problems using synthetic examples and various image restoration tasks.

Importance sampling for online variational learning

This article addresses online variational estimation in state-space models. We focus on learning the smoothing distribution, i.e. the joint distribution of the latent states given the observations, using a variational approach together with Monte Carlo importance sampling. We propose an efficient algorithm for computing the gradient of the evidence lower bound (ELBO) in the context of streaming data, where observations arrive sequentially. Our contributions include a computationally efficient online ELBO estimator, demonstrated performance in offline and true online settings, and adaptability for computing general expectations under joint smoothing distributions.

Online Variational Sequential Monte Carlo

Being the most classical generative model for serial data, state-space models (SSM) are fundamental in AI and statistical machine learning. In SSM, any form of parameter learning or latent state inference typically involves the computation of complex latent-state posteriors. In this work, we build upon the variational sequential Monte Carlo (VSMC) method, which provides computationally efficient and accurate model parameter estimation and Bayesian latent-state inference by combining particle methods and variational inference. While standard VSMC operates in the offline mode, by re-processing repeatedly a given batch of data, we distribute the approximation of the gradient of the VSMC surrogate ELBO in time using stochastic approximation, allowing for online learning in the presence of streams of data. This results in an algorithm, online VSMC, that is capable of performing efficiently, entirely on-the-fly, both parameter estimation and particle proposal adaptation. In addition, we provide rigorous theoretical results describing the algorithm's convergence properties as the number of data tends to infinity as well as numerical illustrations of its excellent convergence properties and usefulness also in batch-processing settings.

State and parameter learning with PaRIS particle Gibbs

Non-linear state-space models, also known as general hidden Markov models, are ubiquitous in statistical machine learning, being the most classical generative models for serial data and sequences in general. The particle-based, rapid incremental smoother PaRIS is a sequential Monte Carlo (SMC) technique allowing for efficient online approximation of expectations of additive functionals under the smoothing distribution in these models. Such expectations appear naturally in several learning contexts, such as likelihood estimation (MLE) and Markov score climbing (MSC). PARIS has linear computational complexity, limited memory requirements and comes with non-asymptotic bounds, convergence results and stability guarantees. Still, being based on self-normalised importance sampling, the PaRIS estimator is biased. Our first contribution is to design a novel additive smoothing algorithm, the Parisian particle Gibbs PPG sampler, which can be viewed as a PaRIS algorithm driven by conditional SMC moves, resulting in bias-reduced estimates of the targeted quantities. We substantiate the PPG algorithm with theoretical results, including new bounds on bias and variance as well as deviation inequalities. Our second contribution is to apply PPG in a learning framework, covering MLE and MSC as special examples. In this context, we establish, under standard assumptions, non-asymptotic bounds highlighting the value of bias reduction and the implicit Rao--Blackwellization of PPG. These are the first non-asymptotic results of this kind in this setting. We illustrate our theoretical results with numerical experiments supporting our claims.

BR-SNIS: Bias Reduced Self-Normalized Importance Sampling

Importance Sampling (IS) is a method for approximating expectations under a target distribution using independent samples from a proposal distribution and the associated importance weights. In many applications, the target distribution is known only up to a normalization constant, in which case self-normalized IS (SNIS) can be used. While the use of self-normalization can have a positive effect on the dispersion of the estimator, it introduces bias. In this work, we propose a new method, BR-SNIS, whose complexity is essentially the same as that of SNIS and which significantly reduces bias without increasing the variance. This method is a wrapper in the sense that it uses the same proposal samples and importance weights as SNIS, but makes clever use of iterated sampling--importance resampling (ISIR) to form a bias-reduced version of the estimator. We furnish the proposed algorithm with rigorous theoretical results, including new bias, variance and high-probability bounds, and these are illustrated by numerical examples.

Probabilistic feature extraction, dose statistic prediction and dose mimicking for automated radiation therapy treatment planning

Purpose: We propose a general framework for quantifying predictive uncertainties of dose-related quantities and leveraging this information in a dose mimicking problem in the context of automated radiation therapy treatment planning. Methods: A three-step pipeline, comprising feature extraction, dose statistic prediction and dose mimicking, is employed. In particular, the features are produced by a convolutional variational autoencoder and used as inputs in a previously developed nonparametric Bayesian statistical method, estimating the multivariate predictive distribution of a collection of predefined dose statistics. Specially developed objective functions are then used to construct a dose mimicking problem based on the produced distributions, creating deliverable treatment plans. Results: The numerical experiments are performed using a dataset of 94 retrospective treatment plans of prostate cancer patients. We show that the features extracted by the variational autoencoder captures geometric information of substantial relevance to the dose statistic prediction problem, that the estimated predictive distributions are reasonable and outperforms a benchmark method, and that the deliverable plans agree well with their clinical counterparts. Conclusions: We demonstrate that prediction of dose-related quantities may be extended to include uncertainty estimation and that such probabilistic information may be leveraged in a dose mimicking problem. The treatment plans produced by the proposed pipeline resemble their original counterparts well, illustrating the merits of a holistic approach to automated planning based on probabilistic modeling.