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Non-covalent Interactions at cm$^{-1}$ Accuracy: Data Efficient Physics-Informed Distillation for Machine Learning Interatomic Potentials

arXiv:2606.05127v1 Announce Type: new Abstract: Foundation models in atomistic machine learning encode interaction physics across diverse atomic environments, but whether that structure can be transferred when building specialist potentials at quantum-chemical accuracy remains open. Here we show that knowledge distillation from a pretrained universal machine-learning interatomic potential (MLIP), followed by coupled-cluster fine-tuning with single and double excitations and perturbative...

arXiv Physics 6d ago

Decision-Aware Evaluation of Physics-Informed Surrogates

arXiv:2606.07146v1 Announce Type: new Abstract: Physics-informed machine learning is often assessed by curve error, although engineering use depends on downstream decisions: ranking candidates, avoiding infeasible designs and limiting regret. We introduce pinn-gym, an open benchmark for material-conditioned lattice design that couples a transparent reduced-order crush-and-impact oracle with five printable polymer cards, dimensionless force-response targets and a protocol spanning curve...

arXiv CS 2d ago

Physics-Informed Machine Learning for Short-Term Flood Prediction

arXiv:2606.04143v1 Announce Type: new Abstract: Accurate flood forecasting is essential for mitigating disaster risks and protecting communities. However, purely data-driven machine learning models often struggle in data-scarce environments and may violate fundamental hydrological principles. Standard Long Short-Term Memory (LSTM) networks can generate physically inconsistent predictions, particularly when extrapolating to extreme weather conditions.

arXiv CS 6d ago

PALTO: Physics-Informed Active Learning for Tri-Gate FinFET Design Optimization for Vertical Power Delivery

Announce Type: new Abstract: This paper demonstrates the effectiveness of machine learning-driven optimization for designing application-specific GaN tri-gate FinFETs in vertical power delivery systems. Conventional TCAD-based approaches are computationally intensive and insufficient for navigating the high-dimensional, nonlinear design space of advanced GaN devices. To address this, a physics-informed active learning framework is used to intelligently guide simulations, accelerating...

arXiv CS 8d ago

Physics-informed diffusion models in spectral space

arXiv:2602.09708v2 Announce Type: replace Abstract: We propose physics-informed spectral diffusion (PISD), a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of partial differential equations (PDEs) conditioned on partial observations, which includes, in particular, forward and inverse PDE problems. We learn the joint distribution of PDE parameters and solutions via a diffusion process in a latent space of scaled...

arXiv CS 7d ago

Accelerating physics-informed neural networks for full waveform inversion using a hybrid quantum-classical finite-basis architecture

Announce Type: cross Abstract: Full waveform inversion (FWI) reconstructs heterogeneous material properties from receiver data but remains computationally demanding. Physics-informed neural networks (PINNs) and their domain-decomposed variants (FBPINNs) offer a mesh-free alternative but face convergence challenges when representing complex velocity fields. We present a hybrid quantum-classical FBPINN for acoustic FWI, bringing together quantum computing and classical machine learning, in...

arXiv CS 8d ago

Accelerating physics-informed neural networks for full waveform inversion using a hybrid quantum-classical finite-basis architecture

Announce Type: new Abstract: Full waveform inversion (FWI) reconstructs heterogeneous material properties from receiver data but remains computationally demanding. Physics-informed neural networks (PINNs) and their domain-decomposed variants (FBPINNs) offer a mesh-free alternative but face convergence challenges when representing complex velocity fields. We present a hybrid quantum-classical FBPINN for acoustic FWI, bringing together quantum computing and classical machine learning, in which...

arXiv Physics 8d ago

PINNs Failure Modes are Overfitting

Announce Type: new Abstract: Physics-Informed Neural Networks (PINNs) are a common class of machine learning-based partial differential equation (PDE) solvers which train a network to represent a solution by minimizing a residual loss that encodes the PDE. Despite their successes, they are known to fail on certain simple equations, converging to an incorrect solution despite low loss. These failure modes have garnered significant attention in the literature over the past several years,...

arXiv CS 9d ago

Lagrangian-Eulerian learning of flow field and trajectories with TrajectoryFlowNet

Announce Type: replace Abstract: Predicting particle transport in complex flows is traditionally achieved by solving the Navier-Stokes equations. While various numerical and experimental methods exist, they typically require deep physical insights and incur high computational costs. Machine learning offers an alternative by learning predictive patterns directly from data, avoiding explicit physical modeling.

arXiv Physics 7d ago

Introduction to optimization methods for training SciML models

Announce Type: replace Abstract: Optimization is central to both modern machine learning (ML) and scientific machine learning (SciML), yet the structure of the underlying optimization problems differs substantially across these domains. Classical ML typically relies on stochastic, sample-separable objectives that favor first-order and adaptive gradient methods.

arXiv CS 7d ago