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 Statistical Learning


Posterior Transition Modeling for Unsupervised Diffusion-Based Speech Enhancement

arXiv.org Artificial Intelligence

We explore unsupervised speech enhancement using diffusion models as expressive generative priors for clean speech. Existing approaches guide the reverse diffusion process using noisy speech through an approximate, noise-perturbed likelihood score, combined with the unconditional score via a trade-off hyperparameter. In this work, we propose two alternative algorithms that directly model the conditional reverse transition distribution of diffusion states. The first method integrates the diffusion prior with the observation model in a principled way, removing the need for hyperparameter tuning. The second defines a diffusion process over the noisy speech itself, yielding a fully tractable and exact likelihood score. Experiments on the WSJ0-QUT and VoiceBank-DEMAND datasets demonstrate improved enhancement metrics and greater robustness to domain shifts compared to both supervised and unsupervised baselines.


Tracing the Interactions of Modular CMA-ES Configurations Across Problem Landscapes

arXiv.org Artificial Intelligence

This paper leverages the recently introduced concept of algorithm footprints to investigate the interplay between algorithm configurations and problem characteristics. Performance footprints are calculated for six modular variants of the CMA-ES algorithm (modCMA), evaluated on 24 benchmark problems from the BBOB suite, across two-dimensional settings: 5-dimensional and 30-dimensional. These footprints provide insights into why different configurations of the same algorithm exhibit varying performance and identify the problem features influencing these outcomes. Our analysis uncovers shared behavioral patterns across configurations due to common interactions with problem properties, as well as distinct behaviors on the same problem driven by differing problem features. The results demonstrate the effectiveness of algorithm footprints in enhancing interpretability and guiding configuration choices.


Sample Complexity Bounds for Linear Constrained MDPs with a Generative Model

arXiv.org Machine Learning

We consider infinite-horizon $γ$-discounted (linear) constrained Markov decision processes (CMDPs) where the objective is to find a policy that maximizes the expected cumulative reward subject to expected cumulative constraints. Given access to a generative model, we propose to solve CMDPs with a primal-dual framework that can leverage any black-box unconstrained MDP solver. For linear CMDPs with feature dimension $d$, we instantiate the framework by using mirror descent value iteration (\texttt{MDVI})~\citep{kitamura2023regularization} an example MDP solver. We provide sample complexity bounds for the resulting CMDP algorithm in two cases: (i) relaxed feasibility, where small constraint violations are allowed, and (ii) strict feasibility, where the output policy is required to exactly satisfy the constraint. For (i), we prove that the algorithm can return an $ε$-optimal policy with high probability by using $\tilde{O}\left(\frac{d^2}{(1-γ)^4ε^2}\right)$ samples. We note that these results exhibit a near-optimal dependence on both $d$ and $ε$. For (ii), we show that the algorithm requires $\tilde{O}\left(\frac{d^2}{(1-γ)^6ε^2ζ^2}\right)$ samples, where $ζ$ is the problem-dependent Slater constant that characterizes the size of the feasible region. Finally, we instantiate our framework for tabular CMDPs and show that it can be used to recover near-optimal sample complexities in this setting.


The Gauss-Markov Adjunction: Categorical Semantics of Residuals in Supervised Learning

arXiv.org Machine Learning

Enhancing the intelligibility and interpretability of machine learning is a crucial task in responding to the demand for Explicability as an AI principle, and in promoting the better social implementation of AI. The aim of our research is to contribute to this improvement by reformulating machine learning models through the lens of category theory, thereby developing a semantic framework for structuring and understanding AI systems. Our categorical modeling in this paper clarifies and formalizes the structural interplay between residuals and parameters in supervised learning. The present paper focuses on the multiple linear regression model, which represents the most basic form of supervised learning. By defining two concrete categories corresponding to parameters and data, along with an adjoint pair of functors between them, we introduce our categorical formulation of supervised learning. We show that the essential structure of this framework is captured by what we call the Gauss-Markov Adjunction. Within this setting, the dual flow of information can be explicitly described as a correspondence between variations in parameters and residuals. The ordinary least squares estimator for the parameters and the minimum residual are related via the preservation of limits by the right adjoint functor. Furthermore, we position this formulation as an instance of extended denotational semantics for supervised learning, and propose applying a semantic perspective developed in theoretical computer science as a formal foundation for Explicability in AI.


Ordinality in Discrete-level Question Difficulty Estimation: Introducing Balanced DRPS and OrderedLogitNN

arXiv.org Machine Learning

Recent years have seen growing interest in Question Difficulty Estimation (QDE) using natural language processing techniques. Question difficulty is often represented using discrete levels, framing the task as ordinal regression due to the inherent ordering from easiest to hardest. However, the literature has neglected the ordinal nature of the task, relying on classification or discretized regression models, with specialized ordinal regression methods remaining unexplored. Furthermore, evaluation metrics are tightly coupled to the modeling paradigm, hindering cross-study comparability. While some metrics fail to account for the ordinal structure of difficulty levels, none adequately address class imbalance, resulting in biased performance assessments. This study addresses these limitations by benchmarking three types of model outputs -- discretized regression, classification, and ordinal regression -- using the balanced Discrete Ranked Probability Score (DRPS), a novel metric that jointly captures ordinality and class imbalance. In addition to using popular ordinal regression methods, we propose OrderedLogitNN, extending the ordered logit model from econometrics to neural networks. We fine-tune BERT on the RACE++ and ARC datasets and find that OrderedLogitNN performs considerably better on complex tasks. The balanced DRPS offers a robust and fair evaluation metric for discrete-level QDE, providing a principled foundation for future research.


Classification by Separating Hypersurfaces: An Entropic Approach

arXiv.org Machine Learning

We consider the following classification problem: Given a population of individuals characterized by a set of attributes represented as a vector in ${\mathbb R}^N$, the goal is to find a hyperplane in ${\mathbb R}^N$ that separates two sets of points corresponding to two distinct classes. This problem, with a history dating back to the perceptron model, remains central to machine learning. In this paper we propose a novel approach by searching for a vector of parameters in a bounded $N$-dimensional hypercube centered at the origin and a positive vector in ${\mathbb R}^M$, obtained through the minimization of an entropy-based function defined over the space of unknown variables. The method extends to polynomial surfaces, allowing the separation of data points by more complex decision boundaries. This provides a robust alternative to traditional linear or quadratic optimization techniques, such as support vector machines and gradient descent. Numerical experiments demonstrate the efficiency and versatility of the method in handling diverse classification tasks, including linear and non-linear separability.


Asymptotically perfect seeded graph matching without edge correlation (and applications to inference)

arXiv.org Machine Learning

We present the OmniMatch algorithm for seeded multiple graph matching. In the setting of $d$-dimensional Random Dot Product Graphs (RDPG), we prove that under mild assumptions, OmniMatch with $s$ seeds asymptotically and efficiently perfectly aligns $O(s^α)$ unseeded vertices -- for $α<2\wedge d/4$ -- across multiple networks even in the presence of no edge correlation. We demonstrate the effectiveness of our algorithm across numerous simulations and in the context of shuffled graph hypothesis testing. In the shuffled testing setting, testing power is lost due to the misalignment/shuffling of vertices across graphs, and we demonstrate the capacity of OmniMatch to correct for misaligned vertices prior to testing and hence recover the lost testing power. We further demonstrate the algorithm on a pair of data examples from connectomics and machine translation.


Detecting Fraud in Financial Networks: A Semi-Supervised GNN Approach with Granger-Causal Explanations

arXiv.org Machine Learning

Fraudulent activity in the financial industry costs billions annually. Detecting fraud, therefore, is an essential yet technically challenging task that requires carefully analyzing large volumes of data. While machine learning (ML) approaches seem like a viable solution, applying them successfully is not so easy due to two main challenges: (1) the sparsely labeled data, which makes the training of such approaches challenging (with inherent labeling costs), and (2) lack of explainability for the flagged items posed by the opacity of ML models, that is often required by business regulations. This article proposes SAGE-FIN, a semi-supervised graph neural network (GNN) based approach with Granger causal explanations for Financial Interaction Networks. SAGE-FIN learns to flag fraudulent items based on weakly labeled (or unlabelled) data points. To adhere to regulatory requirements, the flagged items are explained by highlighting related items in the network using Granger causality. We empirically validate the favorable performance of SAGE-FIN on a real-world dataset, Bipartite Edge-And-Node Attributed financial network (Elliptic++), with Granger-causal explanations for the identified fraudulent items without any prior assumption on the network structure.


Attention-based clustering

arXiv.org Machine Learning

Transformers have emerged as a powerful neural network architecture capable of tackling a wide range of learning tasks. In this work, we provide a theoretical analysis of their ability to automatically extract structure from data in an unsupervised setting. In particular, we demonstrate their suitability for clustering when the input data is generated from a Gaussian mixture model. To this end, we study a simplified two-head attention layer and define a population risk whose minimization with unlabeled data drives the head parameters to align with the true mixture centroids. This phenomenon highlights the ability of attention-based layers to capture underlying distributional structure. We further examine an attention layer with key, query, and value matrices fixed to the identity, and show that, even without any trainable parameters, it can perform in-context quantization, revealing the surprising capacity of transformer-based methods to adapt dynamically to input-specific distributions.


Sparse Gaussian Processes: Structured Approximations and Power-EP Revisited

arXiv.org Machine Learning

Inducing-point-based sparse variational Gaussian processes have become the standard workhorse for scaling up GP models. Recent advances show that these methods can be improved by introducing a diagonal scaling matrix to the conditional posterior density given the inducing points. This paper first considers an extension that employs a block-diagonal structure for the scaling matrix, provably tightening the variational lower bound. We then revisit the unifying framework of sparse GPs based on Power Expectation Propagation (PEP) and show that it can leverage and benefit from the new structured approximate posteriors. Through extensive regression experiments, we show that the proposed block-diagonal approximation consistently performs similarly to or better than existing diagonal approximations while maintaining comparable computational costs. Furthermore, the new PEP framework with structured posteriors provides competitive performance across various power hyperparameter settings, offering practitioners flexible alternatives to standard variational approaches.