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Lightweight Geometric Adaptation for Training Physics-Informed Neural Networks

An, Kang, Si, Chenhao, Ma, Shiqian, Yan, Ming

arXiv.org Machine Learning

Physics-Informed Neural Networks (PINNs) often suffer from slow convergence, training instability, and reduced accuracy on challenging partial differential equations due to the anisotropic and rapidly varying geometry of their loss landscapes. We propose a lightweight curvature-aware optimization framework that augments existing first-order optimizers with an adaptive predictive correction based on secant information. Consecutive gradient differences are used as a cheap proxy for local geometric change, together with a step-normalized secant curvature indicator to control the correction strength. The framework is plug-and-play, computationally efficient, and broadly compatible with existing optimizers, without explicitly forming second-order matrices. Experiments on diverse PDE benchmarks show consistent improvements in convergence speed, training stability, and solution accuracy over standard optimizers and strong baselines, including on the high-dimensional heat equation, Gray--Scott system, Belousov--Zhabotinsky system, and 2D Kuramoto--Sivashinsky system.


Theta-regularized Kriging: Modelling and Algorithms

Xie, Xuelin, Lu, Xiliang

arXiv.org Machine Learning

To obtain more accurate model parameters and improve prediction accuracy, we proposed a regularized Kriging model that penalizes the hyperparameter theta in the Gaussian stochastic process, termed the Theta-regularized Kriging. We derived the optimization problem for this model from a maximum likelihood perspective. Additionally, we presented specific implementation details for the iterative process, including the regularized optimization algorithm and the geometric search cross-validation tuning algorithm. Three distinct penalty methods, Lasso, Ridge, and Elastic-net regularization, were meticulously considered. Meanwhile, the proposed Theta-regularized Kriging models were tested on nine common numerical functions and two practical engineering examples. The results demonstrate that, compared with other penalized Kriging models, the proposed model performs better in terms of accuracy and stability.


On the Optimal Number of Grids for Differentially Private Non-Interactive $K$-Means Clustering

Muthukrishnan, Gokularam, Tandon, Anshoo

arXiv.org Machine Learning

Differentially private $K$-means clustering enables releasing cluster centers derived from a dataset while protecting the privacy of the individuals. Non-interactive clustering techniques based on privatized histograms are attractive because the released data synopsis can be reused for other downstream tasks without additional privacy loss. The choice of the number of grids for discretizing the data points is crucial, as it directly controls the quantization bias and the amount of noise injected to preserve privacy. The widely adopted strategy selects a grid size that is independent of the number of clusters and also relies on empirical tuning. In this work, we revisit this choice and propose a refined grid-size selection rule derived by minimizing an upper bound on the expected deviation in the K-means objective function, leading to a more principled discretization strategy for non-interactive private clustering. Compared to prior work, our grid resolution differs both in its dependence on the number of clusters and in the scaling with dataset size and privacy budget. Extensive numerical results elucidate that the proposed strategy results in accurate clustering compared to the state-of-the-art techniques, even under tight privacy budgets.


Domain Elastic Transform: Bayesian Function Registration for High-Dimensional Scientific Data

Hirose, Osamu, Rodola, Emanuele

arXiv.org Machine Learning

Nonrigid registration is conventionally divided into point set registration, which aligns sparse geometries, and image registration, which aligns continuous intensity fields on regular grids. However, this dichotomy creates a critical bottleneck for emerging scientific data, such as spatial transcriptomics, where high-dimensional vector-valued functions, e.g., gene expression, are defined on irregular, sparse manifolds. Consequently, researchers currently face a forced choice: either sacrifice single-cell resolution via voxelization to utilize image-based tools, or ignore the critical functional signal to utilize geometric tools. To resolve this dilemma, we propose Domain Elastic Transform (DET), a grid-free probabilistic framework that unifies geometric and functional alignment. By treating data as functions on irregular domains, DET registers high-dimensional signals directly without binning. We formulate the problem within a rigorous Bayesian framework, modeling domain deformation as an elastic motion guided by a joint spatial-functional likelihood. The method is fully unsupervised and scalable, utilizing feature-sensitive downsampling to handle massive atlases. We demonstrate that DET achieves 92\% topological preservation on MERFISH data where state-of-the-art optimal transport methods struggle ($<$5\%), and successfully registers whole-embryo Stereo-seq atlases across developmental stages -- a task involving massive scale and complex nonrigid growth. The implementation of DET is available on {https://github.com/ohirose/bcpd} (since Mar, 2025).







Diversity-Driven Synthesis: Enhancing Dataset Distillation through Directed Weight Adjustment

Neural Information Processing Systems

To avoid redundancy in these synthetic datasets, it is crucial that each element contains unique features and remains diverse from others during the synthesis stage. In this paper, we provide a thorough theoretical and empirical analysis of diversity within synthesized datasets. We argue that enhancing diversity can improve the parallelizable yet isolated synthesizing approach.