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Bridging Maximum Likelihood and Optimal Transport for Efficient Inference and Model Selection in Stochastic Block Models
Queric, Simon, Vincent-Cuaz, Cédric, Bouveyron, Charles, Corneli, Marco
We study inference in stochastic block models (SBMs) through the lens of optimal transport (OT). We first establish that maximum likelihood variational inference (MLVI) can be interpreted as a semi-relaxed Gromov-Wasserstein (srGW) projection with entropic regularization. While this formulation yields accurate clustering, the entropic regularization prevents transport plans to be sparse, hindering intrinsic model selection. Consequently, we investigate unregularized srGW estimators, and prove that they consistently recover both the SBM connectivity matrix and latent cluster assignments in the asymptotic regime. However, this asymptotic property does not translate into reliable model selection in finite samples, and calls for additional mechanisms to promote sparsity in the inferred cluster proportions. We empirically show that such a regularized formulation yields estimators that simultaneously recover model parameters and select the number of clusters in a single optimization problem, thereby avoiding costly grid search or heuristic model selection procedures.
A Unified Framework for Data-Free One-Step Sampling via Wasserstein Gradient Flows
We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,β(x)$, where $β(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.
Language-Induced Priors for Domain Adaptation
Chen, Qiyuan, Zhou, Jiayu, Kontar, Raed Al
Domain adaptation faces a fundamental paradox in the cold-start regime. When target data is scarce, statistical methods fail to distinguish relevant source domains from irrelevant ones, which often leads to negative transfer. In this paper, we address this challenge by leveraging expert textual descriptions of the target domain, a resource that is often available but overlooked. We propose a probabilistic framework that translates these semantic descriptions into a choice model, namely a Language-Induced Prior (LIP), that learns the preferences from a pretrained Large Language Model (LLM). The LIP is then integrated into an Expectation-Maximization algorithm to identify source relevance. Methodologically, this framework is compatible with any parametric model where a likelihood is available. It allows the LIP to guide the selection of sources when target signals are weak, while gradually refining these choices as samples accumulate. Theoretically, we prove that the estimator roughly matches an oracle cold-start MSE under a correct prior, while remaining asymptotically consistent regardless of the quality of the LIP. Empirically, we validated the framework on a descriptive (Gaussian estimation), a predictive (C-MAPSS dataset), and a prescriptive task (MuJoCo hopper).
Factual recall in linear associative memories: sharp asymptotics and mechanistic insights
Giorlandino, Alessio, Goldt, Sebastian, Maillard, Antoine
Large language models demonstrate remarkable ability in factual recall, yet the fundamental limits of storing and retrieving input--output associations with neural networks remain unclear. We study these limits in a minimal setting: a linear associative memory that maps $p$ input embeddings in $\mathbb{R}^d$ to their corresponding~$d$-dimensional targets via a single layer, requiring each mapped input to be well separated from all other targets. Unlike in supervised classification, this strict separation induces~$p$ constraints per association and produces strong correlations between constraints that make a direct characterisation of the storage capacity difficult. Here, we provide a precise characterisation of this capacity in the following way. We first introduce a decoupled model in which each input has its own independent set of competing outputs, and provide numerical and analytical evidence that this decoupled model is equivalent to the original model in terms of storage capacity, spectra of the learnt weights, and storage mechanism. Using tools from statistical physics, we show that the decoupled model can store up to $p_c \log p_c / d^2 = 1 / 2$ associations, and generalise the computation of $p_c$ to linear two-layer architectures. Our analysis also gives mechanistic insight into how the optimal solution improves over a naïve Hebbian learning rule: rather than boosting input-output alignments with broad fluctuations, the optimal solution raises the correct scores just above the extreme-value threshold set by the competing outputs. These findings give a sharp statistical-physics characterisation of factual storage in linear networks and provide a baseline for understanding the memory capacity of more realistic neural architectures.
Amortized Variational Inference for Joint Posterior and Predictive Distributions in Bayesian Uncertainty Quantification
Bayesian predictive inference propagates parameter uncertainty to quantities of interest through the posterior-predictive distribution. In practice, this is typically performed using a two-stage procedure: first approximating the posterior distribution of model parameters, and then propagating posterior samples through the predictive model via Monte Carlo simulation. This sequential workflow can be computationally demanding, particularly for high-fidelity models such as those governed by partial differential equations. We propose a variational Bayesian framework that directly targets the posterior-predictive distribution and jointly learns variational approximations of both the posterior and the corresponding predictive distribution. The formulation introduces a variational upper bound on the Kullback--Leibler divergence together with moment-based regularization terms. The variational distributions are trained in an amortized manner, shifting computational effort to an offline stage and enabling efficient online inference. Numerical experiments ranging from analytical benchmarks to a finite-element solid mechanics problem demonstrate that the proposed method achieves more accurate predictive distributions than conventional two-stage variational inference, while substantially reducing the cost of online predictive inference.
Unsupervised Image Denoising with Score Function
Though achieving excellent performance in some cases, current unsupervised learning methods for single image denoising usually have constraints in applications. In this paper, we propose a new approach which is more general and applicable to complicated noise models. Utilizing the property of score function, the gradient of logarithmic probability, we define a solving system for denoising. Once the score function of noisy images has been estimated, the denoised result can be obtained through the solving system. Our approach can be applied to multiple noise models, such as the mixture of multiplicative and additive noise combined with structured correlation. Experimental results show that our method is comparable when the noise model is simple, and has good performance in complicated cases where other methods are not applicable or perform poorly.
Provable convergence guarantees for black-box variational inference
Black-box variational inference is widely used in situations where there is no proof that its stochastic optimization succeeds. We suggest this is due to a theoretical gap in existing stochastic optimization proofs--namely the challenge of gradient estimators with unusual noise bounds, and a composite non-smooth objective. For dense Gaussian variational families, we observe that existing gradient estimators based on reparameterization satisfy a quadratic noise bound and give novel convergence guarantees for proximal and projected stochastic gradient descent using this bound. This provides rigorous guarantees that methods similar to those used in practice converge on realistic inference problems.
Expressive probabilistic sampling in recurrent neural networks
In sampling-based Bayesian models of brain function, neural activities are assumed to be samples from probability distributions that the brain uses for probabilistic computation. However, a comprehensive understanding of how mechanistic models of neural dynamics can sample from arbitrary distributions is still lacking. We use tools from functional analysis and stochastic differential equations to explore the minimum architectural requirements for recurrent neural circuits to sample from complex distributions. We first consider the traditional sampling model consisting of a network of neurons whose outputs directly represent the samples (sampler-only network). We argue that synaptic current and firing-rate dynamics in the traditional model have limited capacity to sample from a complex probability distribution. We show that the firing rate dynamics of a recurrent neural circuit with a separate set of output units can sample from an arbitrary probability distribution. We call such circuits reservoir-sampler networks (RSNs). We propose an efficient training procedure based on denoising score matching that finds recurrent and output weights such that the RSN implements Langevin sampling. We empirically demonstrate our model's ability to sample from several complex data distributions using the proposed neural dynamics and discuss its applicability to developing the next generation of sampling-based Bayesian brain models.
Causal Representation Learning from General Environments under Nonparametric Mixing
Ng, Ignavier, Xie, Shaoan, Dong, Xinshuai, Spirtes, Peter, Zhang, Kun
Causal representation learning aims to recover the latent causal variables and their causal relations, typically represented by directed acyclic graphs (DAGs), from low-level observations such as image pixels. A prevailing line of research exploits multiple environments, which assume how data distributions change, including single-node interventions, coupled interventions, or hard interventions, or parametric constraints on the mixing function or the latent causal model, such as linearity. Despite the novelty and elegance of the results, they are often violated in real problems. Accordingly, we formalize a set of desiderata for causal representation learning that applies to a broader class of environments, referred to as general environments. Interestingly, we show that one can fully recover the latent DAG and identify the latent variables up to minor indeterminacies under a nonparametric mixing function and nonlinear latent causal models, such as additive (Gaussian) noise models or heteroscedastic noise models, by properly leveraging sufficient change conditions on the causal mechanisms up to third-order derivatives. These represent, to our knowledge, the first results to fully recover the latent DAG from general environments under nonparametric mixing. Notably, our results match or improve upon many existing works, but require less restrictive assumptions about changing environments.
Towards Accelerated Model Training via Bayesian Data Selection
Mislabeled, duplicated, or biased data in real-world scenarios can lead to prolonged training and even hinder model convergence. Traditional solutions prioritizing easy or hard samples lack the flexibility to handle such a variety simultaneously. Recent work has proposed a more reasonable data selection principle by examining the data's impact on the model's generalization loss. However, its practical adoption relies on less principled approximations and additional holdout data. This work solves these problems by leveraging a lightweight Bayesian treatment and incorporating off-the-shelf zero-shot predictors built on large-scale pre-trained models. The resulting algorithm is efficient and easy to implement. We perform extensive empirical studies on challenging benchmarks with considerable data noise and imbalance in the online batch selection scenario, and observe superior training efficiency over competitive baselines. Notably, on the challenging WebVision benchmark, our method can achieve similar predictive performance with significantly fewer training iterations than leading data selection methods.