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Robust Automatic Differentiation of Square-Root Kalman Filters via Gramian Differentials

arXiv.org Machine Learning

Square-root Kalman filters propagate state covariances in Cholesky-factor form for numerical stability, and are a natural target for gradient-based parameter learning in state-space models. Their core operation, triangularization of a matrix $M \in \mathbb{R}^{n \times m}$, is computed via a QR decomposition in practice, but naively differentiating through it causes two problems: the semi-orthogonal factor is non-unique when $m > n$, yielding undefined gradients; and the standard Jacobian formula involves inverses, which diverges when $M$ is rank-deficient. Both are resolved by the observation that all filter outputs relevant to learning depend on the input matrix only through the Gramian $MM^\top$, so the composite loss is smooth in $M$ even where the triangularization is not. We derive a closed-form chain-rule directly from the differential of this Gramian identity, prove it exact for the Kalman log-marginal likelihood and filtered moments, and extend it to rank-deficient inputs via a two-component decomposition: a column-space term based on the Moore--Penrose pseudoinverse, and a null-space correction for perturbations outside the column space of $M$.


Understanding the geometry of deep learning with decision boundary volume

arXiv.org Machine Learning

For classification tasks, the performance of a deep neural network is determined by the structure of its decision boundary, whose geometry directly affects essential properties of the model, including accuracy and robustness. Motivated by a classical tube formula due to Weyl, we introduce a method to measure the decision boundary of a neural network through local surface volumes, providing a theoretically justifiable and efficient measure enabling a geometric interpretation of the effectiveness of the model applicable to the high dimensional feature spaces considered in deep learning. A smaller surface volume is expected to correspond to lower model complexity and better generalisation. We verify, on a number of image processing tasks with convolutional architectures that decision boundary volume is inversely proportional to classification accuracy. Meanwhile, the relationship between local surface volume and generalisation for fully connected architecture is observed to be less stable between tasks. Therefore, for network architectures suited to a particular data structure, we demonstrate that smoother decision boundaries lead to better performance, as our intuition would suggest.


IQP Born Machines under Data-dependent and Agnostic Initialization Strategies

arXiv.org Machine Learning

Quantum circuit Born machines based on instantaneous quantum polynomial-time (IQP) circuits are natural candidates for quantum generative modeling, both because of their probabilistic structure and because IQP sampling is provably classically hard in certain regimes. Recent proposals focus on training IQP-QCBMs using Maximum Mean Discrepancy (MMD) losses built from low-body Pauli-$Z$ correlators, but the effect of initialization on the resulting optimization landscape remains poorly understood. In this work, we address this by first proving that the MMD loss landscape suffers from barren plateaus for random full-angle-range initializations of IQP circuits. We then establish lower bounds on the loss variance for identity and an unbiased data-agnostic initialization. We then additionally consider a data-dependent initialization that is better aligned with the target distribution and, under suitable assumptions, yields provable gradients and generally converges quicker to a good minimum (as indicated by our training of circuits with 150 qubits on genomic data). Finally, as a by-product, the developed variance lower bound framework is applicable to a general class of non-linear losses, offering a broader toolset for analyzing warm-starts in quantum machine learning.


Power-Law Spectrum of the Random Feature Model

arXiv.org Machine Learning

Scaling laws for neural networks, in which the loss decays as a power-law in the number of parameters, data, and compute, depend fundamentally on the spectral structure of the data covariance, with power-law eigenvalue decay appearing ubiquitously in vision and language tasks. A central question is whether this spectral structure is preserved or destroyed when data passes through the basic building block of a neural network: a random linear projection followed by a nonlinear activation. We study this question for the random feature model: given data $x \sim N(0,H)\in \mathbb{R}^v$ where $H$ has $α$-power-law spectrum ($λ_j(H ) \asymp j^{-α}$, $α> 1$), a Gaussian sketch matrix $W \in \mathbb{R}^{v\times d}$, and an entrywise monomial $f(y) = y^{p}$, we characterize the eigenvalues of the population random-feature covariance $\mathbb{E}_{x }[\frac{1}{d}f(W^\top x )^{\otimes 2}]$. We prove matching upper and lower bounds: for all $1 \leq j \leq c_1 d \log^{-(p+1)}(d)$, the $j$-th eigenvalue is of order $\left(\log^{p-1}(j+1)/j\right)^α$. For $ c_1 d \log^{-(p+1)}(d)\leq j\leq d$, the $j$-th eigenvalue is of order $j^{-α}$ up to a polylog factor. That is, the power-law exponent $α$ is inherited exactly from the input covariance, modified only by a logarithmic correction that depends on the monomial degree $p$. The proof combines a dyadic head-tail decomposition with Wick chaos expansions for higher-order monomials and random matrix concentration inequalities.


Standard Acquisition Is Sufficient for Asynchronous Bayesian Optimization

arXiv.org Machine Learning

Asynchronous Bayesian optimization is widely used for gradient-free optimization in domains with independent parallel experiments and varying evaluation times. Existing methods posit that standard acquisitions lead to redundant and repeated queries, proposing complex solutions to enforce diversity in queries. Challenging this fundamental premise, we show that methods, like the Upper Confidence Bound, can in fact achieve theoretical guarantees essentially equivalent to those of sequential Thompson sampling. A conceptual analysis of asynchronous Bayesian optimization reveals that existing works neglect intermediate posterior updates, which we find to be generally sufficient to avoid redundant queries. Further investigation shows that by penalizing busy locations, diversity-enforcing methods can over-explore in asynchronous settings, reducing their performance. Our extensive experiments demonstrate that simple standard acquisition functions match or outperform purpose-built asynchronous methods across synthetic and real-world tasks.


Label Noise Cleaning for Supervised Classification via Bernoulli Random Sampling

arXiv.org Machine Learning

Label noise - incorrect labels assigned to observations - can substantially degrade the performance of supervised classifiers. This paper proposes a label noise cleaning method based on Bernoulli random sampling. We show that the mean label noise levels of subsets generated by Bernoulli random sampling containing a given observation are identically distributed for all clean observations, and identically distributed, with a different distribution, for all noisy observations. Although the mean label noise levels are not independent across observations, by introducing an independent coupling we further prove that they converge to a mixture of two well-separated distributions corresponding to clean and noisy observations. By establishing a linear model between cross-validated classification errors and label noise levels, we are able to approximate this mixture distribution and thereby separate clean and noisy observations without any prior label information. The proposed method is classifier-agnostic, theoretically justified, and demonstrates strong performance on both simulated and real datasets.


A Hybrid Tsallis-Polarization Impurity Measure for Decision Trees: Theoretical Foundations and Empirical Evaluation

arXiv.org Machine Learning

We introduce the Integrated Tsallis Combination (ITC), a hybrid impurity measure for decision tree learning that combines normalized Tsallis entropy with an exponential polarization component. While many existing measures sacrifice theoretical soundness for computational efficiency or vice versa, ITC provides a mathematically principled framework that balances both aspects. The core innovation lies in the complementarity between Tsallis entropy's information-theoretic foundations and the polarization component's sensitivity to distributional asymmetry. We establish key theoretical properties-concavity under explicit parameter conditions, proper boundary conditions, and connections to classical measures-and provide a rigorous justification for the hybridization strategy. Through an extensive comparative evaluation on seven benchmark datasets comparing 23 impurity measures with five-fold repetition, we show that simple parametric measures (Tsallis $α=0.5$) achieve the highest average accuracy ($91.17\%$), while ITC variants yield competitive results ($88.38-89.16\%$) with strong theoretical guarantees. Statistical analysis (Friedman test: $χ^2=3.89$, $p=0.692$) reveals no significant global differences among top performers, indicating practical equivalence for many applications. ITC's value resides in its solid theoretical grounding-proven concavity under suitable conditions, flexible parameterization ($α$, $β$, $γ$), and computational efficiency $O(K)$-making it a rigorous, generalizable alternative when theoretical guarantees are paramount. We provide guidelines for measure selection based on application priorities and release an open-source implementation to foster reproducibility and further research.


Scorio.jl: A Julia package for ranking stochastic responses

arXiv.org Machine Learning

Scorio.jl is a Julia package for evaluating and ranking systems from repeated responses to shared tasks. It provides a common tensor-based interface for direct score-based, pairwise, psychometric, voting, graph, and listwise methods, so the same benchmark can be analyzed under multiple ranking assumptions. We describe the package design, position it relative to existing Julia tools, and report pilot experiments on synthetic rank recovery, stability under limited trials, and runtime scaling.


Unbiased and Biased Variance-Reduced Forward-Reflected-Backward Splitting Methods for Stochastic Composite Inclusions

arXiv.org Machine Learning

This paper develops new variance-reduction techniques for the forward-reflected-backward splitting (FRBS) method to solve a class of possibly nonmonotone stochastic composite inclusions. Unlike unbiased estimators such as mini-batching, developing stochastic biased variants faces a fundamental technical challenge and has not been utilized before for inclusions and fixed-point problems. We fill this gap by designing a new framework that can handle both unbiased and biased estimators. Our main idea is to construct stochastic variance-reduced estimators for the forward-reflected direction and use them to perform iterate updates. First, we propose a class of unbiased variance-reduced estimators and show that increasing mini-batch SGD, loopless-SVRG, and SAGA estimators fall within this class. For these unbiased estimators, we establish a $\mathcal{O}(1/k)$ best-iterate convergence rate for the expected squared residual norm, together with almost-sure convergence of the iterate sequence to a solution. Consequently, we prove that the best oracle complexities for the $n$-finite-sum and expectation settings are $\mathcal{O}(n^{2/3}ε^{-2})$ and $\mathcal{O}(ε^{-10/3})$, respectively, when employing loopless-SVRG or SAGA, where $ε$ is a desired accuracy. Second, we introduce a new class of biased variance-reduced estimators for the forward-reflected direction, which includes SARAH, Hybrid SGD, and Hybrid SVRG as special instances. While the convergence rates remain valid for these biased estimators, the resulting oracle complexities are $\mathcal{O}(n^{3/4}ε^{-2})$ and $\mathcal{O}(ε^{-5})$ for the $n$-finite-sum and expectation settings, respectively. Finally, we conduct two numerical experiments on AUC optimization for imbalanced classification and policy evaluation in reinforcement learning.


Locally Linear Continual Learning for Time Series based on VC-Theoretical Generalization Bounds

arXiv.org Machine Learning

Most machine learning methods assume fixed probability distributions, limiting their applicability in nonstationary real-world scenarios. While continual learning methods address this issue, current approaches often rely on black-box models or require extensive user intervention for interpretability. We propose SyMPLER (Systems Modeling through Piecewise Linear Evolving Regression), an explainable model for time series forecasting in nonstationary environments based on dynamic piecewise-linear approximations. Unlike other locally linear models, SyMPLER uses generalization bounds from Statistical Learning Theory to automatically determine when to add new local models based on prediction errors, eliminating the need for explicit clustering of the data. Experiments show that SyMPLER can achieve comparable performance to both black-box and existing explainable models while maintaining a human-interpretable structure that reveals insights about the system's behavior. In this sense, our approach conciliates accuracy and interpretability, offering a transparent and adaptive solution for forecasting nonstationary time series.