Graham Harper

Matthias Mayr, Alexander Heinlein, Christian Glusa et al.

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to ``An Overview of the Trilinos project'' by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397-423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This paper also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Ben S. Southworth, Jonas A. Actor, Graham Harper et al.

Algorithmic speedup of training common neural architectures is made difficult by the lack of structure guaranteed by the function compositions inherent to such networks. In contrast to multilayer perceptrons (MLPs), Kolmogorov-Arnold networks (KANs) provide more structure by expanding learned activations in a specified basis. This paper exploits this structure to develop practical algorithms and theoretical insights, yielding training speedup via multilevel training for KANs. To do so, we first establish an equivalence between KANs with spline basis functions and multichannel MLPs with power ReLU activations through a linear change of basis. We then analyze how this change of basis affects the geometry of gradient-based optimization with respect to spline knots. The KANs change-of-basis motivates a multilevel training approach, where we train a sequence of KANs naturally defined through a uniform refinement of spline knots with analytic geometric interpolation operators between models. The interpolation scheme enables a ``properly nested hierarchy'' of architectures, ensuring that interpolation to a fine model preserves the progress made on coarse models, while the compact support of spline basis functions ensures complementary optimization on subsequent levels. Numerical experiments demonstrate that our multilevel training approach can achieve orders of magnitude improvement in accuracy over conventional methods to train comparable KANs or MLPs, particularly for physics informed neural networks. Finally, this work demonstrates how principled design of neural networks can lead to exploitable structure, and in this case, multilevel algorithms that can dramatically improve training performance.

Jonas A. Actor, Graham Harper, Ben Southworth et al.

Multilayer perceptrons (MLPs) are a workhorse machine learning architecture, used in a variety of modern deep learning frameworks. However, recently Kolmogorov-Arnold Networks (KANs) have become increasingly popular due to their success on a range of problems, particularly for scientific machine learning tasks. In this paper, we exploit the relationship between KANs and multichannel MLPs to gain structural insight into how to train MLPs faster. We demonstrate the KAN basis (1) provides geometric localized support, and (2) acts as a preconditioned descent in the ReLU basis, overall resulting in expedited training and improved accuracy. Our results show the equivalence between free-knot spline KAN architectures, and a class of MLPs that are refined geometrically along the channel dimension of each weight tensor. We exploit this structural equivalence to define a hierarchical refinement scheme that dramatically accelerates training of the multi-channel MLP architecture. We show further accuracy improvements can be had by allowing the $1$D locations of the spline knots to be trained simultaneously with the weights. These advances are demonstrated on a range of benchmark examples for regression and scientific machine learning.