arXiv Machine Learning

Constrained Extreme Gradient Boosting for Adapting Reduced-Order Models

arXiv:2605. 04130v2 Announce Type: replace Abstract: High-fidelity simulations, such as computational fluid dynamics and finite element analysis, are essential for modeling complex engineering systems but are often prohibitively expensive for tasks including parametric studies, optimization, and real-time control.

arXiv Machine Learning
Aug 27

Adaptive Hybrid Subspace Levenberg Marquardt Algorithm with Adequacy Monitor for Large Scale Least Squares Problems

The paper introduces an Adaptive Hybrid Subspace Levenberg–Marquardt (HSLM) algorithm that tackles large‑scale nonlinear least‑squares problems by building a low‑dimensional subspace from gradient, memory, Krylov‑subspace, and randomized curvature data. It employs a deterministic adequacy monitor to adaptively enrich the subspace and decouples step acceptance from damping adjustment, using Armijo backtracking for step length and a ratio of actual to predicted reduction for damping updates. The authors prove global convergence to stationarity and local linear and superlinear convergence, and demonstrate that HSLM matches the convergence of classical and Krylov‑subspace LM while significantly reducing per‑iteration cost, especially as the parameter dimension increases.

By M. Duc Hoang, Timothy J. Lewis
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
Sep 3

Learning Spectral-Like Mesh-Free Discretisations

The paper introduces Spectral-like Neural Discretisation (SpeND), a mesh‑free method that learns stencil weights via a neural network to approximate the modal response of a spectral operator across a specified band of wavenumbers. By projecting the network output onto the space of polynomial‑consistent weights, SpeND ensures exact consistency while minimizing dispersion and dissipation errors in a self‑supervised, physics‑agnostic manner. Experiments on disordered 2‑D node sets demonstrate that the learned fourth‑order operator matches the exact spectral response over a wider band than traditional LABFM or structured‑grid finite differences, and retains fourth‑order convergence upon refinement.

By Lucas Gerken Starepravo, Henry Broadley, Steven Lind, Jack R. C. King
Hugging Face Trending Papers
Jun 17

Advances in Scientific Machine Learning for Coupled Fluid Flow and Transport

This chapter reviews recent advances in Scientific Machine Learning (SciML) for modeling coupled fluid flow and transport phenomena governed by the incompressible Navier-Stokes and scalar transport equations. Such systems, found in applications like turbidity currents and thermal convection, feature strong nonlinear coupling and multiscale behavior that make high-fidelity simulations computationally expensive.

arXiv AI
Sep 17

Principled Koopman Representations with Kalman Inference for Efficient Time-Series Prediction

The paper introduces K$^2$SVD, a method that learns the leading singular functions of the Koopman operator by optimizing a Hilbert-Schmidt objective, producing a low‑rank, interpretable Koopman representation with a compact latent space. In this space, temporal evolution is modeled with a linear Gaussian state‑space model and inference is performed via Kalman filtering to reduce noise accumulation in multi‑step predictions. Experiments demonstrate that K$^2$SVD outperforms state‑of‑the‑art methods on multiple datasets, achieving faster prediction speeds and lower computational cost.

By Ruiquan Li, Yuheng Bu
arXiv Machine Learning
Jun 11

Structure-Preserving Neural Surrogates with Tractable Uncertainty Quantification

arXiv:2606. 11650v1 Announce Type: new Abstract: Recent advances in scientific machine learning provide a means of near-real-time solution to partial differential equations (PDEs), but lack the theoretical underpinnings of conventional simulators that support contemporary verification and validation.

By Handi Zhang, Adrienne M. Propp, Brooks Kinch, Houman Owhadi, Nathaniel Trask