Learning Graphical Models
Independent Component Discovery in Temporal Count Data
Chaussard, Alexandre, Bonnet, Anna, Corff, Sylvain Le
Advances in data collection are producing growing volumes of temporal count observations, making adapted modeling increasingly necessary. In this work, we introduce a generative framework for independent component analysis of temporal count data, combining regime-adaptive dynamics with Poisson log-normal emissions. The model identifies disentangled components with regime-dependent contributions, enabling representation learning and perturbations analysis. Notably, we establish the identifiability of the model, supporting principled interpretation. To learn the parameters, we propose an efficient amortized variational inference procedure. Experiments on simulated data evaluate recovery of the mixing function and latent sources across diverse settings, while an in vivo longitudinal gut microbiome study reveals microbial co-variation patterns and regime shifts consistent with clinical perturbations.
Efficient Stochastic Optimisation via Sequential Monte Carlo
Cuin, James, Carbone, Davide, Tang, Yanbo, Akyildiz, O. Deniz
The problem of optimising functions with intractable gradients frequently arise in machine learning and statistics, ranging from maximum marginal likelihood estimation procedures to fine-tuning of generative models. Stochastic approximation methods for this class of problems typically require inner sampling loops to obtain (biased) stochastic gradient estimates, which rapidly becomes computationally expensive. In this work, we develop sequential Monte Carlo (SMC) samplers for optimisation of functions with intractable gradients. Our approach replaces expensive inner sampling methods with efficient SMC approximations, which can result in significant computational gains. We establish convergence results for the basic recursions defined by our methodology which SMC samplers approximate. We demonstrate the effectiveness of our approach on the reward-tuning of energy-based models within various settings.
A Judge-Aware Ranking Framework for Evaluating Large Language Models without Ground Truth
Xu, Mingyuan, Tan, Xinzi, Wu, Jiawei, Zhou, Doudou
Evaluating large language models (LLMs) on open-ended tasks without ground-truth labels is increasingly done via the LLM-as-a-judge paradigm. A critical but under-modeled issue is that judge LLMs differ substantially in reliability; treating all judges equally can yield biased leaderboards and misleading uncertainty estimates. More data can make evaluation more confidently wrong under misspecified aggregation. We propose a judge-aware ranking framework that extends the Bradley-Terry-Luce model by introducing judge-specific discrimination parameters, jointly estimating latent model quality and judge reliability from pairwise comparisons without reference labels. We establish identifiability up to natural normalizations and prove consistency and asymptotic normality of the maximum likelihood estimator, enabling confidence intervals for score differences and rank comparisons. Across multiple public benchmarks and a newly collected dataset, our method improves agreement with human preferences, achieves higher data efficiency than unweighted baselines, and produces calibrated uncertainty quantification for LLM rankings.
Achieving $\varepsilon^{-2}$ Dependence for Average-Reward Q-Learning with a New Contraction Principle
Chen, Zijun, Chen, Zaiwei, Si, Nian, Wang, Shengbo
We present the convergence rates of synchronous and asynchronous Q-learning for average-reward Markov decision processes, where the absence of contraction poses a fundamental challenge. Existing non-asymptotic results overcome this challenge by either imposing strong assumptions to enforce seminorm contraction or relying on discounted or episodic Markov decision processes as successive approximations, which either require unknown parameters or result in suboptimal sample complexity. In this work, under a reachability assumption, we establish optimal $\widetilde{O}(\varepsilon^{-2})$ sample complexity guarantees (up to logarithmic factors) for a simple variant of synchronous and asynchronous Q-learning that samples from the lazified dynamics, where the system remains in the current state with some fixed probability. At the core of our analysis is the construction of an instance-dependent seminorm and showing that, after a lazy transformation of the Markov decision process, the Bellman operator becomes one-step contractive under this seminorm.
Provably Reliable Classifier Guidance through Cross-entropy Error Control
Sahu, Sharan, Banerjee, Arisina, Wu, Yuchen
Classifier-guided diffusion models generate conditional samples by augmenting the reverse-time score with the gradient of a learned classifier, yet it remains unclear whether standard classifier training procedures yield effective diffusion guidance. We address this gap by showing that, under mild smoothness assumptions on the classifiers, controlling the cross-entropy error at each diffusion step also controls the error of the resulting guidance vectors: classifiers achieving conditional KL divergence $\varepsilon^2$ from the ground-truth conditional label probabilities induce guidance vectors with mean squared error $\widetilde{O}(d \varepsilon )$. Our result yields an upper bound on the sampling error under classifier guidance and bears resemblance to a reverse log-Sobolev-type inequality. Moreover, we show that the classifier smoothness assumption is essential, by constructing simple counterexamples demonstrating that, without it, control of the guidance vector can fail for almost all distributions. To our knowledge, our work establishes the first quantitative link between classifier training and guidance alignment, yielding both a theoretical foundation for classifier guidance and principled guidelines for classifier selection.
Efficient Causal Structure Learning via Modular Subgraph Integration
Sun, Haixiang, Tian, Pengchao, Zhou, Zihan, Zhang, Jielei, Li, Peiyi, Liu, Andrew L.
Learning causal structures from observational data remains a fundamental yet computationally intensive task, particularly in high-dimensional settings where existing methods face challenges such as the super-exponential growth of the search space and increasing computational demands. To address this, we introduce VISTA (Voting-based Integration of Subgraph Topologies for Acyclicity), a modular framework that decomposes the global causal structure learning problem into local subgraphs based on Markov Blankets. The global integration is achieved through a weighted voting mechanism that penalizes low-support edges via exponential decay, filters unreliable ones with an adaptive threshold, and ensures acyclicity using a Feedback Arc Set (FAS) algorithm. The framework is model-agnostic, imposing no assumptions on the inductive biases of base learners, is compatible with arbitrary data settings without requiring specific structural forms, and fully supports parallelization. We also theoretically establish finite-sample error bounds for VISTA, and prove its asymptotic consistency under mild conditions. Extensive experiments on both synthetic and real datasets consistently demonstrate the effectiveness of VISTA, yielding notable improvements in both accuracy and efficiency over a wide range of base learners.
The Bayesian Geometry of Transformer Attention
Agarwal, Naman, Dalal, Siddhartha R., Misra, Vishal
Transformers often appear to perform Bayesian reasoning in context, but verifying this rigorously has been impossible: natural data lack analytic posteriors, and large models conflate reasoning with memorization. We address this by constructing \emph{Bayesian wind tunnels} -- controlled environments where the true posterior is known in closed form and memorization is provably impossible. In these settings, small transformers reproduce Bayesian posteriors with $10^{-3}$-$10^{-4}$ bit accuracy, while capacity-matched MLPs fail by orders of magnitude, establishing a clear architectural separation. Across two tasks -- bijection elimination and Hidden Markov Model (HMM) state tracking -- we find that transformers implement Bayesian inference through a consistent geometric mechanism: residual streams serve as the belief substrate, feed-forward networks perform the posterior update, and attention provides content-addressable routing. Geometric diagnostics reveal orthogonal key bases, progressive query-key alignment, and a low-dimensional value manifold parameterized by posterior entropy. During training this manifold unfurls while attention patterns remain stable, a \emph{frame-precision dissociation} predicted by recent gradient analyses. Taken together, these results demonstrate that hierarchical attention realizes Bayesian inference by geometric design, explaining both the necessity of attention and the failure of flat architectures. Bayesian wind tunnels provide a foundation for mechanistically connecting small, verifiable systems to reasoning phenomena observed in large language models.
Matching and mixing: Matchability of graphs under Markovian error
Li, Zhirui, Levin, Keith D., Zhao, Zhiang, Lyzinski, Vince
We consider the problem of graph matching for a sequence of graphs generated under a time-dependent Markov chain noise model. Our edgelighter error model, a variant of the classical lamplighter random walk, iteratively corrupts the graph $G_0$ with edge-dependent noise, creating a sequence of noisy graph copies $(G_t)$. Much of the graph matching literature is focused on anonymization thresholds in edge-independent noise settings, and we establish novel anonymization thresholds in this edge-dependent noise setting when matching $G_0$ and $G_t$. Moreover, we also compare this anonymization threshold with the mixing properties of the Markov chain noise model. We show that when $G_0$ is drawn from an Erdős-Rényi model, the graph matching anonymization threshold and the mixing time of the edgelighter walk are both of order $Θ(n^2\log n)$. We further demonstrate that for more structured model for $G_0$ (e.g., the Stochastic Block Model), graph matching anonymization can occur in $O(n^α\log n)$ time for some $α<2$, indicating that anonymization can occur before the Markov chain noise model globally mixes. Through extensive simulations, we verify our theoretical bounds in the settings of Erdős-Rényi random graphs and stochastic block model random graphs, and explore our findings on real-world datasets derived from a Facebook friendship network and a European research institution email communication network.
Regime-Adaptive Bayesian Optimization via Dirichlet Process Mixtures of Gaussian Processes
Zhang, Yan, Liu, Xuefeng, Chen, Sipeng, Ranftl, Sascha, Liu, Chong, Li, Shibo
Standard Bayesian Optimization (BO) assumes uniform smoothness across the search space an assumption violated in multi-regime problems such as molecular conformation search through distinct energy basins or drug discovery across heterogeneous molecular scaffolds. A single GP either oversmooths sharp transitions or hallucinates noise in smooth regions, yielding miscalibrated uncertainty. We propose RAMBO, a Dirichlet Process Mixture of Gaussian Processes that automatically discovers latent regimes during optimization, each modeled by an independent GP with locally-optimized hyperparameters. We derive collapsed Gibbs sampling that analytically marginalizes latent functions for efficient inference, and introduce adaptive concentration parameter scheduling for coarse-to-fine regime discovery. Our acquisition functions decompose uncertainty into intra-regime and inter-regime components. Experiments on synthetic benchmarks and real-world applications, including molecular conformer optimization, virtual screening for drug discovery, and fusion reactor design, demonstrate consistent improvements over state-of-the-art baselines on multi-regime objectives.
Classifier Calibration at Scale: An Empirical Study of Model-Agnostic Post-Hoc Methods
Manokhin, Valery, Grønhaug, Daniel
We study model-agnostic post-hoc calibration methods intended to improve probabilistic predictions in supervised binary classification on real i.i.d. tabular data, with particular emphasis on conformal and Venn-based approaches that provide distribution-free validity guarantees under exchangeability. We benchmark 21 widely used classifiers, including linear models, SVMs, tree ensembles (CatBoost, XGBoost, LightGBM), and modern tabular neural and foundation models, on binary tasks from the TabArena-v0.1 suite using randomized, stratified five-fold cross-validation with a held-out test fold. Five calibrators; Isotonic regression, Platt scaling, Beta calibration, Venn-Abers predictors, and Pearsonify are trained on a separate calibration split and applied to test predictions. Calibration is evaluated using proper scoring rules (log-loss and Brier score) and diagnostic measures (Spiegelhalter's Z, ECE, and ECI), alongside discrimination (AUC-ROC) and standard classification metrics. Across tasks and architectures, Venn-Abers predictors achieve the largest average reductions in log-loss, followed closely by Beta calibration, while Platt scaling exhibits weaker and less consistent effects. Beta calibration improves log-loss most frequently across tasks, whereas Venn-Abers displays fewer instances of extreme degradation and slightly more instances of extreme improvement. Importantly, we find that commonly used calibration procedures, most notably Platt scaling and isotonic regression, can systematically degrade proper scoring performance for strong modern tabular models. Overall classification performance is often preserved, but calibration effects vary substantially across datasets and architectures, and no method dominates uniformly. In expectation, all methods except Pearsonify slightly increase accuracy, but the effect is marginal, with the largest expected gain about 0.008%.