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Deep Learning · Generative Models and Autoencoders

Van Khoa NGUYEN, Lionel Blondé, Alexandros Kalousis

Training-free diffusion guidance offers a flexible framework for leveraging off-the-shelf classifiers without additional training. Yet, current approaches hinge on posterior approximations via Tweedie’s formula, which often yield unreliable guidance, particularly in low-density regions. Stochastic optimal control (SOC), in contrast, enables principled posterior sampling but remains computationally prohibitive for efficient inference. In this work, we reconcile the strengths of these paradigms by introducing Stein Diffusion Guidance (SDG), a novel training-free framework grounded in a surrogate SOC objective. We establish a new theoretical bound on the SOC value function, revealing the necessity of correcting approximate posteriors to reflect true diffusion dynamics. Building on Stein variational inference, SDG computes the steepest descent direction that minimizes the Kullback-Leibler divergence between approximate and true posteriors. By integrating a principled Stein correction mechanism along with a novel running cost functional, SDG enables effective guidance in low-density regions. Our experiments on diverse image-guidance tasks and on challenging small-ligand sampling for protein docking suggest that SDG consistently outperforms standard training-free guidance methods and highlights its potential for broader posterior sampling problems beyond high-density regimes.

Hao-Yi Lei, Zhi-Hao Tan, Zhi-Hua Zhou

The *learnware* paradigm aims to enable users to leverage numerous existing high-performing models instead of building machine learning models from scratch. A learnware consists of a submitted model together with a *specification* derived from the developer’s training data. As the key component, a specification should characterize the capabilities of the model, enabling it to be adequately identified and reused, while preserving the developer's original data. In this paper, we present the first formal study of the risks that arise when a specification is attached to a model, as opposed to releasing the model alone. We develop a game-theoretic framework and, by combining variational inference with geometry analysis, provide quantitative estimates of the resulting risk of specification. Our analysis provides theoretical guarantees on the data protection ability for the commonly adopted RKME specification. Finally, we prove that with a properly chosen size of specification, releasing the specification alongside the model introduces almost no additional risk of exposing the raw data, while still retaining sufficient information for effective learnware identification.

Probabilistic Methods · Variational Inference

Tobias Fuchs, Nadja Klein

Real-world data is frequently noisy and ambiguous. In crowdsourcing, for example, human annotators may assign conflicting class labels to the same instances. Partial-label learning (PLL) addresses this challenge by training classifiers when each instance is associated with a set of candidate labels, only one of which is correct. While early PLL methods approximate the true label posterior, they are often computationally intensive. Recent deep learning approaches improve scalability but rely on surrogate losses and heuristic label refinement. We introduce a novel probabilistic framework that directly approximates the posterior distribution over true labels using amortized variational inference. Our method employs neural networks to predict variational parameters from input data, enabling efficient inference. This approach combines the expressiveness of deep learning with the rigor of probabilistic modeling, while remaining architecture-agnostic. Theoretical analysis and extensive experiments on synthetic and real-world datasets demonstrate that our method achieves state-of-the-art performance in both accuracy and efficiency.

Social Aspects · Privacy

Ahmed Mehdi Inane, Vincent Quirion, Gintare Karolina Dziugaite, Ioannis Mitliagkas

Noise-based certified machine unlearning currently faces a hard ceiling: the noise magnitude required to certify unlearning typically destroys model utility, particularly for large-scale deletion requests. While leveraging public data is a standard technique in differential privacy to relax this tension, its role in unlearning remains unexplored. We address this gap by introducing **Asymmetric Langevin Unlearning (ALU)**, a framework that uses public data to mitigate privacy costs. We prove that public data injection suppresses the unlearning cost by a factor of $O(1/n_{\mathrm{pub}}^2)$, guaranteeing a strict computational advantage over retraining. This establishes a new control mechanism: practitioners can mitigate the need for high noise—and the associated utility loss—by increasing the volume of public data. Crucially, we analyze the realistic setting of **distribution mismatch**, explicitly characterizing how shifts between public and private sources impact utility. We show that ALU enables "mass unlearning'' of constant dataset fractions -- a regime where standard symmetric methods become impractical -- while maintaining high utility. Empirical evaluations using variational Rényi divergence and membership inference attacks confirm that ALU effectively thwarts privacy attacks while preserving utility under reasonable distribution shifts.

Probabilistic Methods · Gaussian Processes

Donghyun Lee, Young Myoung Ko

Modeling the learning curve is critical for cost-effective data collection in deep learning systems. Most prior approaches assume a specific parametric learning curve, but these can be inappropriate when no reliable parametric form can be assumed for the learning curve. While Gaussian processes offer flexible nonparametric modeling, existing GP approaches that enforce monotonicity typically introduce intractable factors or require derivative observations. To address this, we propose a Monotonic Variational Gaussian Process for Efficient Data Collection (MOVE), which (i) introduces a novel monotonic variational GP formulation with virtual-derivative factors to enable tractable posterior inference, and (ii) develops an expected shortfall based objective for target-driven data collection. Furthermore, our theoretical analysis shows that expected shortfall provides non-vanishing gradient signals that enable reliable gradient-based optimization. Extensive experiments on classification, segmentation, and detection benchmarks demonstrate consistent improvements over the prior method.

Probabilistic Methods · Variational Inference

Nico Daheim, Thomas Moellenhoff, James Ming Liang Ang, Mohammad Emtiyaz Khan

Stochastic Variance Reduced Gradient (SVRG) and its variants aim to speed-up training by using gradient corrections. In their decade of existence, these methods have never been connected to any Bayesian methods, at least not at a fundamental level. Here, we fill this gap and show surprising new connections of SVRG to a recently proposed Bayesian method called ‘posterior correction’. Our main contribution is to show that SVRG can be recovered as a special case of posterior correction when applied over isotropic-Gaussian posteriors. Novel extensions of SVRG are automatically obtained by using more flexible exponential-family posteriors. We derive two new such extensions by using Gaussian families: a Newton-like variant with novel Hessian corrections, and an Adam-like extension that scales to large problems. Our work is the first to connect SVRG to Bayes and use it to boost training.

Deep Learning · Large Language Models

Jabin Koo, Hoyoung Kim, Minwoo Jang, Jungseul Ok

Federated Learning (FL) offers a privacy-preserving pathway for aligning Large Language Models (LLMs); however, existing frameworks typically enforce a monolithic reward model, inevitably averaging out inherently conflicting user preferences (e.g., helpfulness vs. harmlessness). While Variational Preference Learning (VPL) offers a pathway to personalization, adapting it to decentralized settings presents a fundamental challenge: \textit{posterior collapse} driven by severe local data scarcity and heterogeneity. In this paper, we propose Federated Variational Preference Alignment with Gumbel-Softmax Prior (FedVPA-GP), a framework designed to disentangle diverse preferences without compromising privacy. To stabilize variational inference, we introduce a Federated Mixture Prior that enables clients to leverage the aggregate population distribution as a dynamic prior. Furthermore, we incorporate an Orthogonal Loss that explicitly enforces the separation of preference prototypes in the latent space. Experiments on the HH-RLHF dataset demonstrate that FedVPA-GP significantly outperforms monolithic baselines, successfully disentangling conflicting user intents and enabling dynamic preference switching.

Probabilistic Methods · Variational Inference

Kyurae Kim, Qiang Fu, Yian Ma, Jacob Gardner, Trevor Campbell

For approximating a target distribution given only its unnormalized log-density, stochastic gradient-based variational inference (VI) algorithms are a popular approach. For example, Wasserstein VI (WVI) and black-box VI (BBVI) perform gradient descent in measure space (Bures-Wasserstein space) and parameter space, respectively. Previously, for the Gaussian variational family, convergence guarantees for WVI have shown superiority over existing results for black-box VI with the reparametrization gradient, suggesting the measure space approach might provide some unique benefits. In this work, however, we close this gap by obtaining identical state-of-the-art iteration complexity guarantees for both. In particular, we identify that WVI's superiority stems from the specific gradient estimator it uses, which BBVI can also leverage with minor modifications. The estimator in question is usually associated with Price's theorem and utilizes second-order information (Hessians) of the target log-density. We will refer to this as Price's gradient. On the flip side, WVI can be made more widely applicable by using the reparametrization gradient, which requires only gradients of the log-density. We empirically demonstrate that the use of Price's gradient is the major source of performance improvement.

Probabilistic Methods · Variational Inference

Bohan Wu, David Blei

Variational inference (VI) has emerged as a popular method for approximate inference for high-dimensional Bayesian models. In this paper, we propose a novel VI method that extends the naive mean field via entropic regularization, referred to as $\Xi$-variational inference ($\Xi$-VI). $\Xi$-VI has a close connection to the entropic optimal transport problem and benefits from the computationally efficient Sinkhorn algorithm. We show that $\Xi$-variational posteriors effectively recover the true posterior dependency, where the likelihood function is downweighted by a regularization parameter. We analyze the role of dimensionality of the parameter space on the accuracy of $\Xi$-variational approximation and the computational complexity of computing the approximate distribution, providing a rough characterization of the statistical-computational trade-off in $\Xi$-VI, where higher statistical accuracy requires greater computational effort. We also investigate the frequentist properties of $\Xi$-VI and establish results on consistency, asymptotic normality, high-dimensional asymptotics, and algorithmic stability. We provide sufficient criteria for our algorithm to achieve polynomial-time convergence. Finally, we show the inferential benefits of using $\Xi$-VI over mean-field VI and other competing methods, such as normalizing flow, on simulated and real datasets.

General Machine Learning · Hardware and Software

Ayan Banerjee, BIN XU, Sandeep Gupta

Continuous-depth neural networks (CDNNs), including Neural Ordinary Differential Equations (ODEs) and liquid-time-constant (LTC) networks, suffer from high computational costs due to solving numerous nonlinear ODEs during training and inference. We introduce Continuous Depth Acceleration (CoDA), a framework that leverages Mori–Zwanzig/Koopman operator theory to replace continuous-depth layers requiring multiple nonlinear ODEs with a compact GRU module, a single low-dimensional linear ODE, and a dense layer. We prove PAC learnability of CoDA, establishing that this transformation preserves accuracy and can be applied repeatedly across multiple layers with unified backpropagation. Experiments on the Liquid Foundation Model (LFM-1.2B) demonstrate $6.7\times$ training speedup and $1.8\times$ inference speedup without loss of accuracy. Across six real-world LTC applications, CoDA consistently outperforms state-of-the-art acceleration techniques—including neural flows, model order reduction, and variational formulations—in both training and inference time while maintaining competitive or superior accuracy.

Deep Learning · Generative Models and Autoencoders

Dennis Elbrächter, Giovanni S. Alberti, Matteo Santacesaria

Score-based diffusion models are a highly effective method for generating samples from a distribution of images. We consider scenarios where the training data comes from a noisy version of the target distribution, and present an efficiently implementable modification of the inference procedure to generate noiseless samples. Our approach is motivated by the manifold hypothesis, according to which meaningful data is concentrated around some low-dimensional manifold of a high-dimensional ambient space. The central idea is that noise manifests as low magnitude variation in off-manifold directions in contrast to the relevant variation of the desired distribution which is mostly confined to on-manifold directions. We introduce the notion of an extended score and show that, in a simplified setting, it can be used to reduce small variations to zero, while leaving large variations mostly unchanged. We describe how its approximation can be computed efficiently from an approximation to the standard score and demonstrate its efficacy on toy problems, synthetic data, and real data.

Probabilistic Methods · Gaussian Processes

Xiaoyu Jiang, Xinxing Shi, Sokratia Georgaka, Magnus Rattray, Mauricio Álvarez

Multi-Output Gaussian Processes (MOGPs) provide a principled probabilistic framework for modelling correlated outputs but face scalability bottlenecks when applied to datasets with high-dimensional output spaces. To maintain tractability, existing methods typically resort to restrictive assumptions, such as employing low-rank or sum-of-separable kernels, which can limit expressiveness. We propose the Transformed Latent Variable MOGP (T-LVMOGP), a novel framework that scales MOGPs to a massive number of outputs while preserving the capacity to capture meaningful inter-output dependencies. T-LVMOGP constructs a flexible multi-output deep kernel by mapping inputs and output-specific latent variables into an embedding space using a Lipschitz-regularised neural network. Combined with stochastic variational inference, our model effectively scales to high-dimensional output settings. Across diverse benchmarks, including climate modelling with over $10,000$ outputs and zero-inflated spatial transcriptomics data, T-LVMOGP outperforms baselines in both predictive accuracy and computational efficiency.

Applications · Time Series

Zexin Yuan, Qinliang Su, Junxi Xiao

Irregular time series arise ubiquitously in real-world systems, where observations are sparse, asynchronous, and governed by underlying continuous-time dynamics. Existing continuous–discrete state-space models typically rely on path-based variational inference, which is computationally expensive or constrained by restrictive posterior assumptions. We propose SDEVI, a novel framework that performs variational inference directly on the joint distribution over discrete-time observations, while guaranteeing consistency with an underlying continuous process governed by a Stochastic Differential Equation(SDE). SDEVI employs a variational posterior induced by linear time-varying SDEs as a scalable inference backbone. To enable intricate dynamics modeling for real-world data, we introduce non-linear-SDE-induced variational inference and generalize our framework to the complex domain. Extensive experiments across healthcare, physics, climate, and IoT benchmarks demonstrate state-of-the-art performance on interpolation, extrapolation, regression, and classification tasks.

General Machine Learning · Causality

Ayush Khot, Miruna Oprescu, Maresa Schröder, Ai Kagawa, Xihaier Luo

Causal inference in spatial domains faces two intertwined challenges: (1) unmeasured spatial factors, such as weather, air pollution, or mobility, that confound treatment and outcome, and (2) interference from nearby treatments that violate standard no-interference assumptions. While existing methods typically address one by assuming away the other, we show they are deeply connected: *interference reveals structure* in the latent confounder. Leveraging this insight, we propose the **Spatial Deconfounder**, a two-stage method that reconstructs a substitute confounder from local treatment vectors using a conditional variational autoencoder (C-VAE) with a spatial prior, then estimates causal effects via a flexible outcome model. We show that this approach enables nonparametric identification of both direct and spillover effects under weak assumptions—without requiring multiple treatment types or a known model of the latent field. Empirically, we extend ```SpaCE```, a benchmark suite for spatial confounding, to include treatment interference, and show that the Spatial Deconfounder consistently improves effect estimation across real-world datasets in environmental health and social science. By turning interference into a multi-cause signal, our framework bridges spatial and deconfounding literatures to advance robust causal inference in structured spatial data.

Theory · Probabilistic Methods

Junxi Xiao, Qinliang Su

Mean-field variational inference (VI) is scalable, but its independence assumption can severely limit inference when the posterior is inherently coupled across instances especially for correlated data. Existing structured VI approaches either impose simple dependence patterns or incur substantial cost as dependence becomes richer, leaving efficient higher-order instance-level dependence modeling largely unresolved. We propose Copula-SVI, which augments amortized marginals with an explicit vine-copula posterior and refines joint samples with Stein updates toward the true posterior. The vine construction makes dependence learning and sampling practical by decomposing it into bivariate copula factors, enabling edge-minibatched training with variance-aware level-wise sampling and efficient dependence-aware initialization via a sparse vine built from the same sampled edges. Experiments on constrained clustering and time series modeling show consistent improvements over strong structured VI baselines and demonstrate efficient higher-order instance-level dependence modeling.

Applications · Robotics

Jinhao Li, Yuxuan Cong, Yingqiao Wang, Hao Xia, Shan Huang, Yijia Zhang, Ningyi Xu, Guohao Dai

Diffusion policies have recently been as a powerful paradigm for visuomotor control in robotic manipulation due to their ability to model the distribution of action sequences and capture multimodality. However, iterative denoising leads to substantial inference latency, limiting control frequency in real-time closed-loop systems. Existing acceleration methods either reduce sampling steps, bypass diffusion through direct prediction, or reuse past actions, but often struggle to jointly preserve action quality and achieve consistently low latency. In this work, we propose **STEP**, a lightweight spatiotemporal consistency prediction mechanism to construct high-quality warm-start actions that are both distributionally close to the target action and temporally consistent, without compromising the generative capability of the original diffusion policy. Then, we propose a velocity-aware perturbation injection mechanism that adaptively modulates actuation excitation based on temporal action variation to execution stall especially for real-world tasks. We further provide a theoretical analysis showing that the proposed prediction induces a locally contractive mapping, ensuring convergence of action errors during diffusion refinement. We conduct extensive evaluations on nine simulated benchmarks and two real-world tasks. Notably, STEP with 2 steps can achieve an average 21.6\% and 27.5\% higher success rate than BRIDGER and DDIM on the RoboMimic benchmark and real-world tasks, respectively. These results demonstrate that \we consistently advances the Pareto frontier of inference latency and success rate over existing methods.

Deep Learning · Large Language Models

Haiquan Lu, Gongfan Fang, Xinyin Ma, Qi Li, Xinchao Wang

Reasoning models enhance performance by tackling problems in a step-by-step manner, decomposing them into sub-problems and exploring long chains of thought before producing an answer. However, applying extended reasoning to every step introduces substantial redundancy, as sub-problems vary widely in difficulty and complexity: a small number of pivotal steps are genuinely challenging and decisive for the final answer, while many others only involve straightforward revisions or simple computations. Therefore, a natural idea is to endow reasoning models with the ability to adaptively respond to this variation, rather than treating all steps with the same level of elaboration. To this end, we propose MixReasoning, a framework that dynamically adjusts the depth of reasoning within a single response. MixReasoning enables fine-grained mode switching by training a lightweight concise LoRA adapter and control its strength to trigger switches based on reasoning difficulty estimated from sliding-window token confidence, yielding human-like transitions between fast and slow reasoning. The resulting chain of thought then becomes a mixture of detailed reasoning on difficult steps and concise inference on simpler ones. Experiments on AIME24, MATH-500, GPQA, and GSM8K demonstrate that MixReasoning shortens reasoning length by 13\%--49\% across benchmarks of varying difficulty, delivering consistent efficiency gains while maintaining performance.

Probabilistic Methods · Bayesian Models and Methods

Jinlin Lai, Antonio Linero, Yuling Yao

Vanilla variational inference finds an optimal approximation to the Bayesian posterior distribution, but even the exact Bayesian posterior is often not meaningful under model misspecification. We propose predictive variational inference (PVI): a general inference framework that seeks and samples from an optimal posterior density such that the resulting posterior predictive distribution is as close to the true data generating process as possible, while this closeness is measured by multiple scoring rules. By optimizing the objective, the predictive variational inference is generally not the same as, or even attempting to approximate, the Bayesian posterior, even asymptotically. Rather, we interpret it as implicit hierarchical expansion. Further, the learned posterior uncertainty detects heterogeneity of parameters among the population, enabling automatic model diagnosis. This framework applies to both likelihood-exact and likelihood-free models. We demonstrate its application in real data examples.

Theory · Deep Learning

Bodie Rubacher

Softmax attention is increasingly treated as a reusable inference primitive in transformers. Much prior theory covers Gaussian/linear models or assumes one shared quadratic query--key metric, which can fail for non-Gaussian exponential-family likelihoods with varying curvature. This risks overreading learned similarities as a global metric or as proof of Bayes-optimality. For discrete latent symbols with exponential-family observations, we show a single head can implement Bayes posteriors (and posterior means) by setting logits to log prior plus log likelihood, and we characterize single-head posteriors as exactly the log-linear (exponential-family) class. Using convex duality, we rewrite log-likelihoods as negative Bregman divergences on mean/sufficient-statistic space, making Bayes rule a soft nearest-neighbor computation; this yields a sharp boundary for globally shared quadratic metrics and a multi-head curvature-atlas approximation with head-count scaling, and we extend these guarantees to in-context estimation with consistency and finite-sample stability bounds. In synthetic Gaussian and Bernoulli in-context estimation, trained minimal attention models validate these predictions: performance approaches a Bayes-oracle baseline as prompt length grows; learned metrics align with noise precision in the Gaussian case, while Bernoulli retains a gap consistent with curvature variation. Together, these results explain when Fisher geometry should emerge, when a single metric is justified, and when multiple heads are necessary for Bayes-like in-context estimators beyond Gaussians.

Deep Learning · Other Representation Learning

WenZhang Wei, Zhipeng Gui, Dehua Peng, Tiandi Ye, Huayi Wu

The core of vision-language models lies in measuring cross-modal similarity within a unified representation space. However, most image-text matching or multi-class image classification datasets lack fine-grained cross-modal matching annotations, forcing the continuous similarity space into binary classification boundaries. This compression induces false negative samples and significantly impairs the generalization performance of cross-modal tasks. While prior research has attempted to mitigate this by modeling intra-modal ambiguity, it often overlooks inherent annotation flaws, leading to suboptimal uncertainty allocation. To address these challenges, we propose a Variational Adapter for Cross-modal Similarity Representation (VACSR). This approach reformulates image-text matching with fine-grained semantic scarcity as a variational inference problem. It constructs a latent space for cross-modal similarity and uses regularization techniques to mitigate overfitting to binary annotations. We validate the effectiveness of VACSR in image-text retrieval tasks using the COCO Caption dataset and two extended datasets: CxC and ECCV Caption. Furthermore, we conduct out-of-distribution evaluations including domain generalization on ImageNet and its variants, as well as base-to-novel generalization across 11 datasets, highlighting VACSR’s robust generalization performance.