arXiv Machine Learning

PDE-Residual-Informed Kriging

The paper introduces PDE‑Residual‑Informed Kriging (PRIK), a Gaussian process framework that embeds global PDE residual information directly into its covariance structure via a PDE‑residual kernel. PRIK yields a posterior mean with minimal integrated squared PDE residual and offers statistical interpretations linking variance to residual energy. The authors prove quasi‑optimality and convergence rates, and demonstrate the method’s PDE‑solving capability through numerical experiments.

arXiv Machine Learning
Oct 8

Scalable Logistic Gaussian Process Density Regression with Kinetic Langevin Sampling

The paper introduces a scalable Bayesian method for conditional density estimation using a logistic Gaussian process. It models the log conditional density with a separable covariance— a Matérn kernel on the response dimension and a Nyström-feature kernel on covariates— and samples the latent field via kinetic Langevin dynamics instead of traditional approximations. Experiments on photometric‑redshift data with up to 3.9 million observations show the approach matches state‑of‑the‑art tabular foundation models on density and calibration metrics.

By Daniel Paulin, \'Ad\'am Jung, Andr\'as A. Bencz\'ur
arXiv Machine Learning
Oct 12

Constrained Probabilistic Numerics: Gaussian Process Solvers for Linear PDEs under Linear Inequality Constraints

The paper introduces a method to incorporate linear inequality constraints—such as nonnegativity, monotonicity, and no‑arbitrage—into Gaussian process solvers for linear partial differential equations. By proving that conditioning a Gaussian process jointly on equality observations and a finite‑dimensional inequality event is equivalent to sequential conditioning, the authors obtain a non‑Gaussian but computable posterior that respects both PDE physics and inequality constraints. Experiments on Poisson problems, option‑price surfaces, and air‑quality data show substantial error reductions and improved adherence to constraints when the new method is applied.

By Boyuan Deng, Kshitiz Upadhyay, Michael Shields
arXiv Machine Learning
3d ago

Probabilistic Meshless Methods on Manifolds

arXiv:2610.39855v2 Announce Type: replace-cross Abstract: Probabilistic meshless methods solve partial differential equations (PDEs) by placing a Gaussian process prior on the solution and conditioni...

By Federico Pavesi, No\'emie Jaquier, Antonio Candelieri
arXiv Machine Learning
Aug 27

Multi-output Gaussian process prediction of physical fields under linear equality constraints

The paper tackles the challenge of predicting multiple high‑dimensional physical fields that must satisfy linear equality constraints, a common scenario in physics‑informed machine learning. It critiques the conventional approach of deducing one field from others, showing its sensitivity to arbitrary choices and its impact on accuracy and uncertainty. To address this, the authors introduce a symmetric framework that first applies a row‑wise PCA to preserve constraints in a latent space, then trains a linearly‑constrained multi‑output Gaussian process using a specially parametrized kernel, and validate the method on population dynamics and CFD problems involving Reynolds stress tensors.

By Mahamat Hamdan Nassouradine, Cl\'ement Gauchy, Pierre-Emmanuel Angeli, S\'ebastien da Veiga
arXiv Machine Learning
Jun 9

Dendrograms of Mixing Measures for Softmax-Gated Gaussian Mixture of Experts: Consistency Without Model Sweeps

arXiv:2510. 12744v2 Announce Type: replace-cross Abstract: We develop a unified statistical framework for softmax-gated Gaussian mixture of experts (SGMoE) that addresses three long-standing obstacles in parameter estimation and model selection: (i) non-identifiability of gating parameters up to common translations, (ii) intrinsic gate-expert interactions that induce coupled differential relations in the likelihood, and (iii) the tight numerator-denominator coupling in the softmax-induced conditional density.

By Do Tien Hai, Trung Nguyen Mai, TrungTin Nguyen, Nhat Ho, Binh T. Nguyen, Christopher Drovandi
arXiv Machine Learning
Oct 9

Feature Space Adaptation for Effortless Gaussian Process Flows

The paper introduces improvements to FlowGP, a method for conditional sampling from Gaussian processes outside the linear-Gaussian regime. It adds kernel approximations to scale to high-resolution domains and a new technique for computing marginal likelihood by measuring the work required to steer diffusion toward conditioning statements. These advances enable hyperparameter optimisation within FlowGP and are demonstrated on tasks such as probabilistic downscaling, PDE solution inference on irregular domains, and sea level anomaly field recovery from non-Gaussian satellite data.

By Thomas Cowperthwaite, Louis Sharrock, Lachlan Astfalck, Henry Moss
arXiv Machine Learning
Aug 24

Exact and general decoupled solutions of the LMC Multitask Gaussian Process model

The paper presents an exact, efficient solution for the Linear Model of Co‑regionalization (LMC) multitask Gaussian Process by decoupling latent processes under a mild noise‑model assumption. It introduces a full parametrization of the resulting projected LMC, enabling linear‑time optimization and simplifying tasks such as training updates and leave‑one‑out cross‑validation. Experiments on synthetic and real data demonstrate that projected LMC is competitive with state‑of‑the‑art multitask GP models while offering greater interpretability and computational ease.

By Olivier Truffinet (CEA Saclay), Karim Ammar (CEA Saclay), Jean-Philippe Argaud (EDF R&D), Bertrand Bouriquet (EDF)