Goto

Collaborating Authors

 approximation accuracy


Sparse Embedded k -Means Clustering

Neural Information Processing Systems

The $k$-means clustering algorithm is a ubiquitous tool in data mining and machine learning that shows promising performance. However, its high computational cost has hindered its applications in broad domains. Researchers have successfully addressed these obstacles with dimensionality reduction methods. Recently, [1] develop a state-of-the-art random projection (RP) method for faster $k$-means clustering. Their method delivers many improvements over other dimensionality reduction methods.


Sparse Embedded k -Means Clustering

Neural Information Processing Systems

The $k$-means clustering algorithm is a ubiquitous tool in data mining and machine learning that shows promising performance. However, its high computational cost has hindered its applications in broad domains. Researchers have successfully addressed these obstacles with dimensionality reduction methods. Recently, [1] develop a state-of-the-art random projection (RP) method for faster $k$-means clustering. Their method delivers many improvements over other dimensionality reduction methods.



Approximating Signed Distance Fields of Implicit Surfaces with Sparse Ellipsoidal Radial Basis Function Networks

arXiv.org Artificial Intelligence

Accurate and compact representation of signed distance functions (SDFs) of implicit surfaces is crucial for efficient storage, computation, and downstream processing of 3D geometry. In this work, we propose a general learning method for approximating precomputed SDF fields of implicit surfaces by a relatively small number of ellipsoidal radial basis functions (ERBFs). The SDF values could be computed from various sources, including point clouds, triangle meshes, analytical expressions, pretrained neural networks, etc. Given SDF values on spatial grid points, our method approximates the SDF using as few ERBFs as possible, achieving a compact representation while preserving the geometric shape of the corresponding implicit surface. To balance sparsity and approximation precision, we introduce a dynamic multi-objective optimization strategy, which adaptively incorporates regularization to enforce sparsity and jointly optimizes the weights, centers, shapes, and orientations of the ERBFs. For computational efficiency, a nearest-neighbor-based data structure restricts computations to points near each kernel center, and CUDA-based parallelism further accelerates the optimization. Furthermore, a hierarchical refinement strategy based on SDF spatial grid points progressively incorporates coarse-to-fine samples for parameter initialization and optimization, improving convergence and training efficiency. Extensive experiments on multiple benchmark datasets demonstrate that our method can represent SDF fields with significantly fewer parameters than existing sparse implicit representation approaches, achieving better accuracy, robustness, and computational efficiency. The corresponding executable program is publicly available at https://github.com/lianbobo/SE-RBFNet.git


Weights initialization of neural networks for function approximation

arXiv.org Artificial Intelligence

Neural network-based function approximation plays a pivotal role in the advancement of scientific computing and machine learning. Yet, training such models faces several challenges: (i) each target function often requires training a new model from scratch; (ii) performance is highly sensitive to architectural and hyperparameter choices; and (iii) models frequently generalize poorly beyond the training domain. To overcome these challenges, we propose a reusable initialization framework based on basis function pretraining. In this approach, basis neural networks are first trained to approximate families of polynomials on a reference domain. Their learned parameters are then used to initialize networks for more complex target functions. To enhance adaptability across arbitrary domains, we further introduce a domain mapping mechanism that transforms inputs into the reference domain, thereby preserving structural correspondence with the pretrained models. Extensive numerical experiments in one- and two-dimensional settings demonstrate substantial improvements in training efficiency, generalization, and model transferability, highlighting the promise of initialization-based strategies for scalable and modular neural function approximation. The full code is made publicly available on Gitee.


Parallelizing MCMC with Random Partition Trees

Neural Information Processing Systems

The modern scale of data has brought new challenges to Bayesian inference. In particular, conventional MCMC algorithms are computationally very expensive for large data sets. A promising approach to solve this problem is embarrassingly parallel MCMC (EP-MCMC), which first partitions the data into multiple subsets and runs independent sampling algorithms on each subset. The subset posterior draws are then aggregated via some combining rules to obtain the final approximation. Existing EP-MCMC algorithms are limited by approximation accuracy and difficulty in resampling. In this article, we propose a new EP-MCMC algorithm P ARTthat solves these problems. The new algorithm applies random partition trees to combine the subset posterior draws, which is distribution-free, easy to re-sample from and can adapt to multiple scales. We provide theoretical justification and extensive experiments illustrating empirical performance.


A Hybrid Neural Network -- Polynomial Series Scheme for Learning Invariant Manifolds of Discrete Dynamical Systems

arXiv.org Artificial Intelligence

We propose a hybrid machine learning scheme to learn -- in physics-informed and numerical analysis-informed fashion -- invariant manifolds (IM) of discrete maps for constructing reduced-order models (ROMs) for dynamical systems. The proposed scheme combines polynomial series with shallow neural networks, exploiting the complementary strengths of both approaches. Polynomials enable an efficient and accurate modeling of ROMs with guaranteed local exponential convergence rate around the fixed point, where, under certain assumptions, the IM is demonstrated to be analytic. Neural networks provide approximations to more complex structures beyond the reach of the polynomials' convergence. We evaluate the efficiency of the proposed scheme using three benchmark examples, examining convergence behavior, numerical approximation accuracy, and computational training cost. Additionally, we compare the IM approximations obtained solely with neural networks and with polynomial expansions. We demonstrate that the proposed hybrid scheme outperforms both pure polynomial approximations (power series, Legendre and Chebyshev polynomials) and standalone shallow neural network approximations in terms of numerical approximation accuracy.


Sparse Embedded $k$-Means Clustering

Neural Information Processing Systems

The k-means clustering algorithm is a ubiquitous tool in data mining and machine learning that shows promising performance. However, its high computational cost has hindered its applications in broad domains. Researchers have successfully addressed these obstacles with dimensionality reduction methods. Recently, [1] develop a state-of-the-art random projection (RP) method for faster k-means clustering. Their method delivers many improvements over other dimensionality reduction methods.


Principal component analysis balancing prediction and approximation accuracy for spatial data

arXiv.org Machine Learning

Dimension reduction is often the first step in statistical modeling or prediction of multivariate spatial data. However, most existing dimension reduction techniques do not account for the spatial correlation between observations and do not take the downstream modeling task into consideration when finding the lower-dimensional representation. We formalize the closeness of approximation to the original data and the utility of lower-dimensional scores for downstream modeling as two complementary, sometimes conflicting, metrics for dimension reduction. We illustrate how existing methodologies fall into this framework and propose a flexible dimension reduction algorithm that achieves the optimal trade-off. We derive a computationally simple form for our algorithm and illustrate its performance through simulation studies, as well as two applications in air pollution modeling and spatial transcriptomics.


A physics-informed neural network method for the approximation of slow invariant manifolds for the general class of stiff systems of ODEs

arXiv.org Artificial Intelligence

We present a physics-informed neural network (PINN) approach for the discovery of slow invariant manifolds (SIMs), for the most general class of fast/slow dynamical systems of ODEs. In contrast to other machine learning (ML) approaches that construct reduced order black box surrogate models using simple regression, and/or require a priori knowledge of the fast and slow variables, our approach, simultaneously decomposes the vector field into fast and slow components and provides a functional of the underlying SIM in a closed form. The decomposition is achieved by finding a transformation of the state variables to the fast and slow ones, which enables the derivation of an explicit, in terms of fast variables, SIM functional. The latter is obtained by solving a PDE corresponding to the invariance equation within the Geometric Singular Perturbation Theory (GSPT) using a single-layer feedforward neural network with symbolic differentiation. The performance of the proposed physics-informed ML framework is assessed via three benchmark problems: the Michaelis-Menten, the target mediated drug disposition (TMDD) reaction model and a fully competitive substrate-inhibitor(fCSI) mechanism. We also provide a comparison with other GPST methods, namely the quasi steady state approximation (QSSA), the partial equilibrium approximation (PEA) and CSP with one and two iterations. We show that the proposed PINN scheme provides SIM approximations, of equivalent or even higher accuracy, than those provided by QSSA, PEA and CSP, especially close to the boundaries of the underlying SIMs.