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Stein-Rule Shrinkage for Stochastic Gradient Estimation in High Dimensions

arXiv.org Machine Learning

Stochastic gradient methods are central to large-scale learning, but they treat mini-batch gradients as unbiased estimators, which classical decision theory shows are inadmissible in high dimensions. We formulate gradient computation as a high-dimensional estimation problem and introduce a framework based on Stein-rule shrinkage. We construct a gradient estimator that adaptively contracts noisy mini-batch gradients toward a stable estimator derived from historical momentum. The shrinkage intensity is determined in a data-driven manner using an online estimate of gradient noise variance, leveraging statistics from adaptive optimizers. Under a Gaussian noise model, we show our estimator uniformly dominates the standard stochastic gradient under squared error loss and is minimax-optimal. We incorporate this into the Adam optimizer, yielding SR-Adam, a practical algorithm with negligible computational cost. Empirical evaluations on CIFAR10 and CIFAR100 across multiple levels of input noise show consistent improvements over Adam in the large-batch regime. Ablation studies indicate that gains arise primarily from selectively applying shrinkage to high-dimensional convolutional layers, while indiscriminate shrinkage across all parameters degrades performance. These results illustrate that classical shrinkage principles provide a principled approach to improving stochastic gradient estimation in deep learning.


Low Rank Transformer for Multivariate Time Series Anomaly Detection and Localization

arXiv.org Machine Learning

Multivariate time series (MTS) anomaly diagnosis, which encompasses both anomaly detection and localization, is critical for the safety and reliability of complex, large-scale real-world systems. The vast majority of existing anomaly diagnosis methods offer limited theoretical insights, especially for anomaly localization, which is a vital but largely unexplored area. The aim of this contribution is to study the learning process of a Transformer when applied to MTS by revealing connections to statistical time series methods. Based on these theoretical insights, we propose the Attention Low-Rank Transformer (ALoRa-T) model, which applies low-rank regularization to self-attention, and we introduce the Attention Low-Rank score, effectively capturing the temporal characteristics of anomalies. Finally, to enable anomaly localization, we propose the ALoRa-Loc method, a novel approach that associates anomalies to specific variables by quantifying interrelationships among time series. Extensive experiments and real data analysis, show that the proposed methodology significantly outperforms state-of-the-art methods in both detection and localization tasks.


BFTS: Thompson Sampling with Bayesian Additive Regression Trees

arXiv.org Machine Learning

Contextual bandits are a core technology for personalized mobile health interventions, where decision-making requires adapting to complex, non-linear user behaviors. While Thompson Sampling (TS) is a preferred strategy for these problems, its performance hinges on the quality of the underlying reward model. Standard linear models suffer from high bias, while neural network approaches are often brittle and difficult to tune in online settings. Conversely, tree ensembles dominate tabular data prediction but typically rely on heuristic uncertainty quantification, lacking a principled probabilistic basis for TS. We propose Bayesian Forest Thompson Sampling (BFTS), the first contextual bandit algorithm to integrate Bayesian Additive Regression Trees (BART), a fully probabilistic sum-of-trees model, directly into the exploration loop. We prove that BFTS is theoretically sound, deriving an information-theoretic Bayesian regret bound of $\tilde{O}(\sqrt{T})$. As a complementary result, we establish frequentist minimax optimality for a "feel-good" variant, confirming the structural suitability of BART priors for non-parametric bandits. Empirically, BFTS achieves state-of-the-art regret on tabular benchmarks with near-nominal uncertainty calibration. Furthermore, in an offline policy evaluation on the Drink Less micro-randomized trial, BFTS improves engagement rates by over 30% compared to the deployed policy, demonstrating its practical effectiveness for behavioral interventions.


Fast Flow Matching based Conditional Independence Tests for Causal Discovery

arXiv.org Machine Learning

Constraint-based causal discovery methods require a large number of conditional independence (CI) tests, which severely limits their practical applicability due to high computational complexity. Therefore, it is crucial to design an algorithm that accelerates each individual test. To this end, we propose the Flow Matching-based Conditional Independence Test (FMCIT). The proposed test leverages the high computational efficiency of flow matching and requires the model to be trained only once throughout the entire causal discovery procedure, substantially accelerating causal discovery. According to numerical experiments, FMCIT effectively controls type-I error and maintains high testing power under the alternative hypothesis, even in the presence of high-dimensional conditioning sets. In addition, we further integrate FMCIT into a two-stage guided PC skeleton learning framework, termed GPC-FMCIT, which combines fast screening with guided, budgeted refinement using FMCIT. This design yields explicit bounds on the number of CI queries while maintaining high statistical power. Experiments on synthetic and real-world causal discovery tasks demonstrate favorable accuracy-efficiency trade-offs over existing CI testing methods and PC variants.


Information Geometry of Absorbing Markov-Chain and Discriminative Random Walks

arXiv.org Machine Learning

Discriminative Random Walks (DRWs) are a simple yet powerful tool for semi-supervised node classification, but their theoretical foundations remain fragmentary. We revisit DRWs through the lens of information geometry, treating the family of class-specific hitting-time laws on an absorbing Markov chain as a statistical manifold. Starting from a log-linear edge-weight model, we derive closed-form expressions for the hitting-time probability mass function, its full moment hierarchy, and the observed Fisher information. The Fisher matrix of each seed node turns out to be rank-one, taking the quotient by its null space yields a low-dimensional, globally flat manifold that captures all identifiable directions of the model. Leveraging the geometry, we introduce a sensitivity score for unlabeled nodes that bounds, and in one-dimensional cases attains, the maximal first-order change in DRW betweenness under unit Fisher perturbations. The score can lead to principled strategies for active label acquisition, edge re-weighting, and explanation.


When Is Compositional Reasoning Learnable from Verifiable Rewards?

arXiv.org Machine Learning

The emergence of compositional reasoning in large language models through reinforcement learning with verifiable rewards (RLVR) has been a key driver of recent empirical successes. Despite this progress, it remains unclear which compositional problems are learnable in this setting using outcome-level feedback alone. In this work, we theoretically study the learnability of compositional problems in autoregressive models under RLVR training. We identify a quantity that we call the task-advantage ratio, a joint property of the compositional problem and the base model, that characterizes which tasks and compositions are learnable from outcome-level feedback. On the positive side, using this characterization, we show that compositional problems where correct intermediate steps provide a clear advantage are efficiently learnable with RLVR. We also analyze how such an advantage naturally arises in different problems. On the negative side, when the structural advantage is not present, RLVR may converge to suboptimal compositions. We prove that, in some cases, the quality of the base model determines if such an advantage exists and whether RLVR will converge to a suboptimal solution. We hope our analysis can provide a principled theoretical understanding of when and why RLVR succeeds and when it does not.


Don't Always Pick the Highest-Performing Model: An Information Theoretic View of LLM Ensemble Selection

arXiv.org Machine Learning

Large language models (LLMs) are often ensembled together to improve overall reliability and robustness, but in practice models are strongly correlated. This raises a fundamental question: which models should be selected when forming an LLM ensemble? We formulate budgeted ensemble selection as maximizing the mutual information between the true label and predictions of the selected models. Furthermore, to explain why performance can saturate even with many models, we model the correlated errors of the models using Gaussian-copula and show an information-theoretic error floor for the performance of the ensemble. Motivated by these, we propose a simple greedy mutual-information selection algorithm that estimates the required information terms directly from data and iteratively builds an ensemble under a query budget. We test our approach in two question answering datasets and one binary sentiment classification dataset: MEDMCQA, MMLU, and IMDB movie reviews. Across all datasets, we observe that our method consistently outperforms strong baselines under the same query budget.


Interpretable Dynamic Network Modeling of Tensor Time Series via Kronecker Time-Varying Graphical Lasso

arXiv.org Machine Learning

With the rapid development of web services, large amounts of time series data are generated and accumulated across various domains such as finance, healthcare, and online platforms. As such data often co-evolves with multiple variables interacting with each other, estimating the time-varying dependencies between variables (i.e., the dynamic network structure) has become crucial for accurate modeling. However, real-world data is often represented as tensor time series with multiple modes, resulting in large, entangled networks that are hard to interpret and computationally intensive to estimate. In this paper, we propose Kronecker Time-Varying Graphical Lasso (KTVGL), a method designed for modeling tensor time series. Our approach estimates mode-specific dynamic networks in a Kronecker product form, thereby avoiding overly complex entangled structures and producing interpretable modeling results. Moreover, the partitioned network structure prevents the exponential growth of computational time with data dimension. In addition, our method can be extended to stream algorithms, making the computational time independent of the sequence length. Experiments on synthetic data show that the proposed method achieves higher edge estimation accuracy than existing methods while requiring less computation time. To further demonstrate its practical value, we also present a case study using real-world data. Our source code and datasets are available at https://github.com/Higashiguchi-Shingo/KTVGL.


A Statistical Framework for Alignment with Biased AI Feedback

arXiv.org Machine Learning

Modern alignment pipelines are increasingly replacing expensive human preference labels with evaluations from large language models (LLM-as-Judge). However, AI labels can be systematically biased compared to high-quality human feedback datasets. In this paper, we develop two debiased alignment methods within a general framework that accommodates heterogeneous prompt-response distributions and external human feedback sources. Debiased Direct Preference Optimization (DDPO) augments standard DPO with a residual-based correction and density-ratio reweighting to mitigate systematic bias, while retaining DPO's computational efficiency. Debiased Identity Preference Optimization (DIPO) directly estimates human preference probabilities without imposing a parametric reward model. We provide theoretical guarantees for both methods: DDPO offers a practical and computationally efficient solution for large-scale alignment, whereas DIPO serves as a robust, statistically optimal alternative that attains the semiparametric efficiency bound. Empirical studies on sentiment generation, summarization, and single-turn dialogue demonstrate that the proposed methods substantially improve alignment efficiency and recover performance close to that of an oracle trained on fully human-labeled data.


Amortising Inference and Meta-Learning Priors in Neural Networks

arXiv.org Machine Learning

One of the core facets of Bayesianism is in the updating of prior beliefs in light of new evidence$\text{ -- }$so how can we maintain a Bayesian approach if we have no prior beliefs in the first place? This is one of the central challenges in the field of Bayesian deep learning, where it is not clear how to represent beliefs about a prediction task by prior distributions over model parameters. Bridging the fields of Bayesian deep learning and probabilistic meta-learning, we introduce a way to $\textit{learn}$ a weights prior from a collection of datasets by introducing a way to perform per-dataset amortised variational inference. The model we develop can be viewed as a neural process whose latent variable is the set of weights of a BNN and whose decoder is the neural network parameterised by a sample of the latent variable itself. This unique model allows us to study the behaviour of Bayesian neural networks under well-specified priors, use Bayesian neural networks as flexible generative models, and perform desirable but previously elusive feats in neural processes such as within-task minibatching or meta-learning under extreme data-starvation.