Goto

Collaborating Authors

 South Holland


We might finally know how to use quantum computers to boost AI

New Scientist

Quantum computers might eventually be able to handle some AI applications that currently require huge amounts of conventional computing power. Such a development would be a major boost to machine learning and similar artificial intelligence algorithms. Quantum computers hold the promise of eventually being able to complete certain calculations that are impossible for conventional computers. For years, researchers have been debating whether these advantages over conventional computers extend to tasks that involve lots of data, and the algorithms that learn from them - in other words, the machine learning that underlies many AI programs. Now, Hsin-Yuan Huang at the quantum computing firm Oratomic and his colleagues argue that the answer ought to be "yes". Their mathematical work aims to lay the foundations for a future where quantum computers offer a broad boost to AI. "Machine learning is really utilised everywhere in science and technology and also everyday life.


Metric-Aware Principal Component Analysis (MAPCA):A Unified Framework for Scale-Invariant Representation Learning

Leznik, Michael

arXiv.org Machine Learning

We introduce Metric-Aware Principal Component Analysis (MAPCA), a unified framework for scale-invariant representation learning based on the generalised eigenproblem max Tr(W^T Sigma W) subject to W^T M W = I, where M is a symmetric positive definite metric matrix. The choice of M determines the representation geometry. The canonical beta-family M(beta) = Sigma^beta, beta in [0,1], provides continuous spectral bias control between standard PCA (beta=0) and output whitening (beta=1), with condition number kappa(beta) = (lambda_1/lambda_p)^(1-beta) decreasing monotonically to isotropy. The diagonal metric M = D = diag(Sigma) recovers Invariant PCA (IPCA), a method rooted in Frisch (1928) diagonal regression, as a distinct member of the broader framework. We prove that scale invariance holds if and only if the metric transforms as M_tilde = CMC under rescaling C, a condition satisfied exactly by IPCA but not by the general beta-family at intermediate values. Beyond its classical interpretation, MAPCA provides a geometric language that unifies several self-supervised learning objectives. Barlow Twins and ZCA whitening correspond to beta=1 (output whitening); VICReg's variance term corresponds to the diagonal metric. A key finding is that W-MSE, despite being described as a whitening-based method, corresponds to M = Sigma^{-1} (beta = -1), outside the spectral compression range entirely and in the opposite spectral direction to Barlow Twins. This distinction between input and output whitening is invisible at the level of loss functions and becomes precise only within the MAPCA framework.


A Large-Scale Comparative Analysis of Imputation Methods for Single-Cell RNA Sequencing Data

Iwashita, Yuichiro, Abbasi, Ahtisham Fazeel, Kise, Koichi, Dengel, Andreas, Asim, Muhammad Nabeel

arXiv.org Machine Learning

Background: Single-cell RNA sequencing (scRNA-seq) enables gene expression profiling at cellular resolution but is inherently affected by sparsity caused by dropout events, where expressed genes are recorded as zeros due to technical limitations. These artifacts distort gene expression distributions and compromise downstream analyses. Numerous imputation methods have been proposed to recover latent transcriptional signals. These methods range from traditional statistical models to deep learning (DL)-based methods. However, their comparative performance remains unclear, as existing benchmarks evaluate only a limited subset of methods, datasets, and downstream analyses. Results: We present a comprehensive benchmark of 15 scRNA-seq imputation methods spanning 7 methodological categories, including traditional and DL-based methods. Methods are evaluated across 30 datasets from 10 experimental protocols on 6 downstream analyses. Results show that traditional methods, such as model-based, smoothing-based, and low-rank matrix-based methods, generally outperform DL-based methods, including diffusion-based, GAN-based, GNN-based, and autoencoder-based methods. In addition, strong performance in numerical gene expression recovery does not necessarily translate into improved biological interpretability in downstream analyses, including cell clustering, differential expression analysis, marker gene analysis, trajectory analysis, and cell type annotation. Furthermore, method performance varies substantially across datasets, protocols, and downstream analyses, with no single method consistently outperforming others. Conclusions: Our findings provide practical guidance for selecting imputation methods tailored to specific analytical objectives and underscore the importance of task-specific evaluation when assessing imputation performance in scRNA-seq data analysis.


Obtaining Partition Crossover masks using Statistical Linkage Learning for solving noised optimization problems with hidden variable dependency structure

Przewozniczek, M. W., Frej, B., Komarnicki, M. M., Prusik, M., Tinós, R.

arXiv.org Machine Learning

In optimization problems, some variable subsets may have a joint non-linear or non-monotonical influence on the function value. Therefore, knowledge of variable dependencies may be crucial for effective optimization, and many state-of-the-art optimizers leverage it to improve performance. However, some real-world problem instances may be the subject of noise of various origins. In such a case, variable dependencies relevant to optimization may be hard or impossible to tell using dependency checks sufficient for problems without noise, making highly effective operators, e.g., Partition Crossover (PX), useless. Therefore, we use Statistical Linkage Learning (SLL) to decompose problems with noise and propose a new SLL-dedicated mask construction algorithm. We prove that if the quality of the SLL-based decomposition is sufficiently high, the proposed clustering algorithm yields masks equivalent to PX masks for the noise-free instances. The experiments show that the optimizer using the proposed mechanisms remains equally effective despite the noise level and outperforms state-of-the-art optimizers for the problems with high noise.


fastml: Guarded Resampling Workflows for Safer Automated Machine Learning in R

Korkmaz, Selcuk, Goksuluk, Dincer, Karaismailoglu, Eda

arXiv.org Machine Learning

Preprocessing leakage arises when scaling, imputation, or other data-dependent transformations are estimated before resampling, inflating apparent performance while remaining hard to detect. We present fastml, an R package that provides a single-call interface for leakage-aware machine learning through guarded resampling, where preprocessing is re-estimated inside each resample and applied to the corresponding assessment data. The package supports grouped and time-ordered resampling, blocks high-risk configurations, audits recipes for external dependencies, and includes sandboxed execution and integrated model explanation. We evaluate fastml with a Monte Carlo simulation contrasting global and fold-local normalization, a usability comparison with tidymodels under matched specifications, and survival benchmarks across datasets of different sizes. The simulation demonstrates that global preprocessing substantially inflates apparent performance relative to guarded resampling. fastml matched held-out performance obtained with tidymodels while reducing workflow orchestration, and it supported consistent benchmarking of multiple survival model classes through a unified interface.


Spectral-Transport Stability and Benign Overfitting in Interpolating Learning

Fredriksson-Imanov, Gustav Olaf Yunus Laitinen-Lundström

arXiv.org Machine Learning

We develop a theoretical framework for generalization in the interpolating regime of statistical learning. The central question is why highly overparameterized estimators can attain zero empirical risk while still achieving nontrivial predictive accuracy, and how to characterize the boundary between benign and destructive overfitting. We introduce a spectral-transport stability framework in which excess risk is controlled jointly by the spectral geometry of the data distribution, the sensitivity of the learning rule under single-sample replacement, and the alignment structure of label noise. This leads to a scale-dependent Fredriksson index that combines effective dimension, transport stability, and noise alignment into a single complexity parameter for interpolating estimators. We prove finite-sample risk bounds, establish a sharp benign-overfitting criterion through the vanishing of the index along admissible spectral scales, and derive explicit phase-transition rates under polynomial spectral decay. For a model-specific specialization, we obtain an explicit theorem for polynomial-spectrum linear interpolation, together with a proof of the resulting rate. The framework also clarifies implicit regularization by showing how optimization dynamics can select interpolating solutions of minimal spectral-transport energy. These results connect algorithmic stability, double descent, benign overfitting, operator-theoretic learning theory, and implicit bias within a unified structural account of modern interpolation.


Computationally lightweight classifiers with frequentist bounds on predictions

Murali, Shreeram, Rojas, Cristian R., Baumann, Dominik

arXiv.org Machine Learning

While both classical and neural network classifiers can achieve high accuracy, they fall short on offering uncertainty bounds on their predictions, making them unfit for safety-critical applications. Existing kernel-based classifiers that provide such bounds scale with $\mathcal O (n^{\sim3})$ in time, making them computationally intractable for large datasets. To address this, we propose a novel, computationally efficient classification algorithm based on the Nadaraya-Watson estimator, for whose estimates we derive frequentist uncertainty intervals. We evaluate our classifier on synthetically generated data and on electrocardiographic heartbeat signals from the MIT-BIH Arrhythmia database. We show that the method achieves competitive accuracy $>$\SI{96}{\percent} at $\mathcal O(n)$ and $\mathcal O(\log n)$ operations, while providing actionable uncertainty bounds. These bounds can, e.g., aid in flagging low-confidence predictions, making them suitable for real-time settings with resource constraints, such as diagnostic monitoring or implantable devices.


Parameter Estimation in Stochastic Differential Equations via Wiener Chaos Expansion and Stochastic Gradient Descent

Delgado-Vences, Francisco, Pavón-Español, José Julián, Ornelas, Arelly

arXiv.org Machine Learning

This study addresses the inverse problem of parameter estimation for Stochastic Differential Equations (SDEs) by minimizing a regularized discrepancy functional via Stochastic Gradient Descent (SGD). To achieve computational efficiency, we leverage the Wiener Chaos Expansion (WCE), a spectral decomposition technique that projects the stochastic solution onto an orthogonal basis of Hermite polynomials. This transformation effectively maps the stochastic dynamics into a hierarchical system of deterministic functions, termed the \textit{propagator}. By reducing the stochastic inference task to a deterministic optimization problem, our framework circumvents the heavy computational burden and sampling requirements of traditional simulation-based methods like MCMC or MLE. The robustness and scalability of the proposed approach are demonstrated through numerical experiments on various non-linear SDEs, including models for individual biological growth. Results show that the WCE-SGD framework provides accurate parameter recovery even from discrete, noisy observations, offering a significant paradigm shift in the efficient modeling of complex stochastic systems.


A Causal Framework for Evaluating ICU Discharge Strategies

Simha, Sagar Nagaraj, Ortholand, Juliette, Dongelmans, Dave, Workum, Jessica D., Thijssens, Olivier W. M., Abu-Hanna, Ameen, Cinà, Giovanni

arXiv.org Machine Learning

In this applied paper, we address the difficult open problem of when to discharge patients from the Intensive Care Unit. This can be conceived as an optimal stopping scenario with three added challenges: 1) the evaluation of a stopping strategy from observational data is itself a complex causal inference problem, 2) the composite objective is to minimize the length of intervention and maximize the outcome, but the two cannot be collapsed to a single dimension, and 3) the recording of variables stops when the intervention is discontinued. Our contributions are two-fold. First, we generalize the implementation of the g-formula Python package, providing a framework to evaluate stopping strategies for problems with the aforementioned structure, including positivity and coverage checks. Second, with a fully open-source pipeline, we apply this approach to MIMIC-IV, a public ICU dataset, demonstrating the potential for strategies that improve upon current care.


High-Resolution Tensor-Network Fourier Methods for Exponentially Compressed Non-Gaussian Aggregate Distributions

Rodríguez-Aldavero, Juan José, García-Ripoll, Juan José

arXiv.org Machine Learning

Its low-rank QTT structure arises from intrinsic spectral smoothness in continuous models, or from spectral energy concentration as the number of components D grows in discrete models. We demonstrate this on weighted sums of Bernoulli and lognormal random variables. In the latter, the approach reaches high-resolution discretizations of N = 230 frequency modes on standard hardware, far beyond the N =224 ceiling of dense implementations. These compressed representations enable efficient computation of Value at Risk (VaR) and Expected Shortfall (ES), supporting applications in quantitative finance and beyond. I. INTRODUCTION Weighted sums of independent random variables constitute a basic probabilistic model, describing macroscopic behavior arising from the aggregation of microscopic stochastic components. These models arise in a wide range of applications. Their probability distribution generally lacks a closed-form expression, and their evaluation involves multidimensional convolution integrals that are susceptible to the curse of dimensionality. Consequently, evaluating these models relies on specializednumericalmethods. Whilethese methods have been adapted for discrete settings [18, 19], they are frequently hampered by persistent Gibbs oscillations, which arise from distributional discontinuities and preclude uniform convergence [20, 21]. No existing method simultaneously achieves an accurate approximation of the exact, fully non-Gaussian target distribution while remaining scalable to larger, practically relevant system sizes. In this work, we introduce a new algorithm that combines the Fourier spectral method with tensor-network techniques.