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Sparse Weak-Form Discovery of Stochastic Generators

arXiv.org Machine Learning

The proposed algorithm seeks to provide a novel data-driven framework for the discovery of stochastic differential equations (SDEs) by application of the Weak-formulation to stochastic SINDy. This Weak formulation of the algorithm provides a noise-robust methodology that avoids traditional noisy derivative computation using finite differences. An additional novelty is the adoption of spatial Gaussian test functions in place of temporal test functions, wherein the use of the kernel weight $K_j(X_{t_n})$ guarantees unbiasedness in expectation and prevents the structural regression bias that is otherwise pertinent with temporal test functions. The proposed framework converts the SDE identification problem into two SINDy based linear sparse identification problems. We validate the algorithm on three SDEs, for which we recover all active non-linear terms with coefficient errors below 4%, stationary-density total-variation distances below 0.01, and autocorrelation functions that reproduce true relaxation timescales across all three benchmarks faithfully.


How unconstrained machine-learning models learn physical symmetries

arXiv.org Machine Learning

The requirement of generating predictions that exactly fulfill the fundamental symmetry of the corresponding physical quantities has profoundly shaped the development of machine-learning models for physical simulations. In many cases, models are built using constrained mathematical forms that ensure that symmetries are enforced exactly. However, unconstrained models that do not obey rotational symmetries are often found to have competitive performance, and to be able to \emph{learn} to a high level of accuracy an approximate equivariant behavior with a simple data augmentation strategy. In this paper, we introduce rigorous metrics to measure the symmetry content of the learned representations in such models, and assess the accuracy by which the outputs fulfill the equivariant condition. We apply these metrics to two unconstrained, transformer-based models operating on decorated point clouds (a graph neural network for atomistic simulations and a PointNet-style architecture for particle physics) to investigate how symmetry information is processed across architectural layers and is learned during training. Based on these insights, we establish a rigorous framework for diagnosing spectral failure modes in ML models. Enabled by this analysis, we demonstrate that one can achieve superior stability and accuracy by strategically injecting the minimum required inductive biases, preserving the high expressivity and scalability of unconstrained architectures while guaranteeing physical fidelity.


Persistence-based topological optimization: a survey

arXiv.org Machine Learning

Computational topology provides a tool, persistent homology, to extract quantitative descriptors from structured objects (images, graphs, point clouds, etc). These descriptors can then be involved in optimization problems, typically as a way to incorporate topological priors or to regularize machine learning models. This is usually achieved by minimizing adequate, topologically-informed losses based on these descriptors, which, in turn, naturally raises theoretical and practical questions about the possibility of optimizing such loss functions using gradient-based algorithms. This has been an active research field in the topological data analysis community over the last decade, and various techniques have been developed to enable optimization of persistence-based loss functions with gradient descent schemes. This survey presents the current state of this field, covering its theoretical foundations, the algorithmic aspects, and showcasing practical uses in several applications. It includes a detailed introduction to persistence theory and, as such, aims at being accessible to mathematicians and data scientists newcomers to the field. It is accompanied by an open-source library which implements the different approaches covered in this survey, providing a convenient playground for researchers to get familiar with the field.


A Causal Framework for Evaluating ICU Discharge Strategies

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.


Fair regression under localized demographic parity constraints

arXiv.org Machine Learning

Demographic parity (DP) is a widely used group fairness criterion requiring predictive distributions to be invariant across sensitive groups. While natural in classification, full distributional DP is often overly restrictive in regression and can lead to substantial accuracy loss. We propose a relaxation of DP tailored to regression, enforcing parity only at a finite set of quantile levels and/or score thresholds. Concretely, we introduce a novel (${\ell}$, Z)-fair predictor, which imposes groupwise CDF constraints of the form F f |S=s (z m ) = ${\ell}$ m for prescribed pairs (${\ell}$ m , z m ). For this setting, we derive closed-form characterizations of the optimal fair discretized predictor via a Lagrangian dual formulation and quantify the discretization cost, showing that the risk gap to the continuous optimum vanishes as the grid is refined. We further develop a model-agnostic post-processing algorithm based on two samples (labeled for learning a base regressor and unlabeled for calibration), and establish finite-sample guarantees on constraint violation and excess penalized risk. In addition, we introduce two alternative frameworks where we match group and marginal CDF values at selected score thresholds. In both settings, we provide closed-form solutions for the optimal fair discretized predictor. Experiments on synthetic and real datasets illustrate an interpretable fairness-accuracy trade-off, enabling targeted corrections at decision-relevant quantiles or thresholds while preserving predictive performance.


Instance-optimal stochastic convex optimization: Can we improve upon sample-average and robust stochastic approximation?

arXiv.org Machine Learning

We study the unconstrained minimization of a smooth and strongly convex population loss function under a stochastic oracle that introduces both additive and multiplicative noise; this is a canonical and widely-studied setting that arises across operations research, signal processing, and machine learning. We begin by showing that standard approaches such as sample average approximation and robust (or averaged) stochastic approximation can lead to suboptimal -- and in some cases arbitrarily poor -- performance with realistic finite sample sizes. In contrast, we demonstrate that a carefully designed variance reduction strategy, which we term VISOR for short, can significantly outperform these approaches while using the same sample size. Our upper bounds are complemented by finite-sample, information-theoretic local minimax lower bounds, which highlight fundamental, instance-dependent factors that govern the performance of any estimator. Taken together, these results demonstrate that an accelerated variant of VISOR is instance-optimal, achieving the best possible sample complexity up to logarithmic factors while also attaining optimal oracle complexity. We apply our theory to generalized linear models and improve upon classical results. In particular, we obtain the best-known non-asymptotic, instance-dependent generalization error bounds for stochastic methods, even in linear regression.


The Geometry of Efficient Nonconvex Sampling

arXiv.org Machine Learning

We present an efficient algorithm for uniformly sampling from an arbitrary compact body $\mathcal{X} \subset \mathbb{R}^n$ from a warm start under isoperimetry and a natural volume growth condition. Our result provides a substantial common generalization of known results for convex bodies and star-shaped bodies. The complexity of the algorithm is polynomial in the dimension, the Poincarรฉ constant of the uniform distribution on $\mathcal{X}$ and the volume growth constant of the set $\mathcal{X}$.


Adaptive Subspace Modeling With Functional Tucker Decomposition

arXiv.org Machine Learning

Tensors provide a structured representation for multidimensional data, yet discretization can obscure important information when such data originates from continuous processes. We address this limitation by introducing a functional Tucker decomposition (FTD) that embeds mode-wise continuity constraints directly into the decomposition. The FTD employs reproducing kernel Hilbert spaces (RKHS) to model continuous modes without requiring an a-priori basis, while preserving the multi-linear subspace structure of the Tucker model. Through RKHS-driven representation, the model yields adaptive and expressive factor descriptions that enable targeted modeling of subspaces. The value of this approach is demonstrated in domain-variant tensor classification. In particular, we illustrate its effectiveness with classification tasks in hyperspectral imaging and multivariate time series analysis, highlighting the benefits of combining structural decomposition with functional adaptability.


Residual-as-Teacher: Mitigating Bias Propagation in Student--Teacher Estimation

arXiv.org Machine Learning

We study statistical estimation in a student--teacher setting, where predictions from a pre-trained teacher are used to guide a student model. A standard approach is to train the student to directly match the teacher's outputs, which we refer to as student soft matching (SM). This approach directly propagates any systematic bias or mis-specification present in the teacher, thereby degrading the student's predictions. We propose and analyze an alternative scheme, known as residual-as-teacher (RaT), in which the teacher is used to estimate residuals in the student's predictions. Our analysis shows how the student can thereby emulate a proximal gradient scheme for solving an oracle optimization problem, and this provably reduces the effect of teacher bias. For general student--teacher pairs, we establish non-asymptotic excess risk bounds for any RaT fixed point, along with convergence guarantees for the student-teacher iterative scheme. For kernel-based student--teacher pairs, we prove a sharp separation: the RaT method achieves the minimax-optimal rate, while the SM method incurs constant prediction error for any sample size. Experiments on both synthetic data and ImageNette classification under covariate shift corroborate our theoretical findings.


Vision Hopfield Memory Networks

arXiv.org Machine Learning

Recent vision and multimodal foundation backbones, such as Transformer families and state-space models like Mamba, have achieved remarkable progress, enabling unified modeling across images, text, and beyond. Despite their empirical success, these architectures remain far from the computational principles of the human brain, often demanding enormous amounts of training data while offering limited interpretability. In this work, we propose the Vision Hopfield Memory Network (V-HMN), a brain-inspired foundation backbone that integrates hierarchical memory mechanisms with iterative refinement updates. Specifically, V-HMN incorporates local Hopfield modules that provide associative memory dynamics at the image patch level, global Hopfield modules that function as episodic memory for contextual modulation, and a predictive-coding-inspired refinement rule for iterative error correction. By organizing these memory-based modules hierarchically, V-HMN captures both local and global dynamics in a unified framework. Memory retrieval exposes the relationship between inputs and stored patterns, making decisions more interpretable, while the reuse of stored patterns improves data efficiency. This brain-inspired design therefore enhances interpretability and data efficiency beyond existing self-attention- or state-space-based approaches. We conducted extensive experiments on public computer vision benchmarks, and V-HMN achieved competitive results against widely adopted backbone architectures, while offering better interpretability, higher data efficiency, and stronger biological plausibility. These findings highlight the potential of V-HMN to serve as a next-generation vision foundation model, while also providing a generalizable blueprint for multimodal backbones in domains such as text and audio, thereby bridging brain-inspired computation with large-scale machine learning.