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Stable Port-Hamiltonian Neural Networks

Neural Information Processing Systems

In recent years, nonlinear dynamic system identification using artificial neural networks has garnered attention due to its broad potential applications across science and engineering. However, purely data-driven approaches often struggle with extrapolation and may yield physically implausible forecasts. Furthermore, the learned dynamics can exhibit instabilities, making it difficult to apply such models safely and robustly. This article introduces stable port-Hamiltonian neural networks, a machine learning architecture that incorporates physical biases of energy conservation and dissipation while ensuring global Lyapunov stability of the learned dynamics. Through illustrative and real-world examples, we demonstrate that these strong inductive biases facilitate robust learning of stable dynamics from sparse data, while avoiding instability and surpassing purely data-driven approaches in accuracy and physically meaningful generalization. Furthermore, the model's applicability and potential for data-driven surrogate modeling are showcased on multiphysics simulation data.


Structure-free Graph Condensation: From Large-scale Graphs to Condensed Graph-free Data

Neural Information Processing Systems

Graph condensation, which reduces the size of a large-scale graph by synthesizing a small-scale condensed graph as its substitution, has immediate benefits for various graph learning tasks. However, existing graph condensation methods rely on the joint optimization of nodes and structures in the condensed graph, and overlook critical issues in effectiveness and generalization ability. In this paper, we advocate a new Structure-Free Graph Condensation paradigm, named SFGC, to distill a largescale graph into a small-scale graph node set without explicit graph structures, i.e., graph-free data. Our idea is to implicitly encode topology structure information into the node attributes in the synthesized graph-free data, whose topology is reduced to an identity matrix.


A PAC-Bayes Approach for Controlling Unknown Linear Discrete-time Systems

arXiv.org Machine Learning

This paper presents a PAC-Bayes framework for learning controllers for unknown stochastic linear discrete-time systems, where the system parameters are drawn from a fixed but unknown distribution. We derive a data-dependent high probability bound on the performance of any learned (stochastic) controller, and propose novel efficient learning algorithms with theoretical guarantees, which can be implemented for both finite and infinite controller spaces. Compared to prior work, our bound holds for unbounded quadratic cost. In the special case where LQG is optimal, our numerical results suggest that the learned controllers achieve comparable performance to LQG.



description of our method

Neural Information Processing Systems

Algorithm 2 Procedure for estimating the weights 1: procedure ESTIMATEWEIGHTS( Teacher,Student,V,D) 2:.V is the validation dataset and D is the teacher-labeled dataset 3: U, k d12 p |V|e 4: for every (x,y) V do 5: X (Confidence(Teacher(x)),Confidence(Student(x))) 6: if arg max(Teacher(x)) = arg max(y) then: 7: (p,distortion) (0,1) 8: else: B.1 The student's test-accuracy-trajectory In this section we provide extended experimental results that show the student's test accuracy over the training trajectory corresponding to experiments we mentioned in Section 3.1. Notice that in the vast majority of cases our method significantly outperforms the conventional approach almost throughout the training process. The student's test accuracy over the training trajectory using harddistillation corresponding to the experiments of Figure 4. See Section 3.1.2 The student's test accuracy over the training trajectory corresponding to the experiments of Figure 5. See Section 3.1.2 The student's test accuracy over the training trajectory corresponding to the experiments of Figure 7. See Section 3.1.3 The student's test accuracy over the training trajectory using hard-distillation (first row) and soft-distillation (second row) corresponding to the experiments of Figure 8. See Section 3.1.4 Indeed, it is known (see e.g.


Connectivity Shapes Implicit Regularization in Matrix Factorization Models for Matrix Completion

Neural Information Processing Systems

Matrix factorization models have been extensively studied as a valuable test-bed for understanding the implicit biases of overparameterized models. Although both low nuclear norm and low rank regularization have been studied for these models, a unified understanding of when, how, and why they achieve different implicit regularization effects remains elusive. In this work, we systematically investigate the implicit regularization of matrix factorization for solving matrix completion problems. We empirically discover that the connectivity of observed data plays a key role in the implicit bias, with a transition from low nuclear norm to low rank as data shifts from disconnected to connected with increased observations. We identify a hierarchy of intrinsic invariant manifolds in the loss landscape that guide the training trajectory to evolve from low-rank to higher-rank solutions. Based on this finding, we theoretically characterize the training trajectory as following the hierarchical invariant manifold traversal process, generalizing the characterization of Li et al.(2020) to include the disconnected case. Furthermore, we establish conditions that guarantee minimum nuclear norm, closely aligning with our experimental findings, and we provide a dynamics characterization condition for ensuring minimum rank. Our work reveals the intricate interplay between data connectivity, training dynamics, and implicit regularization in matrix factorization models.


Topological Generalization Bounds for Discrete-Time Stochastic Optimization Algorithms

Neural Information Processing Systems

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization properties, yet the source of these capabilities remains elusive, defying the established statistical learning theory. Recent studies have revealed that properties of training trajectories can be indicative of generalization. Building on this insight, state-of-the-art methods have leveraged the topology of these trajectories, particularly their fractal dimension, to quantify generalization. Most existing works compute this quantity by assuming continuous-or infinite-time training dynamics, complicating the development of practical estimators capable of accurately predicting generalization without access to test data.