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Accelerating Constrained Sampling: A Large Deviations Approach

arXiv.org Machine Learning

The problem of sampling a target probability distribution on a constrained domain arises in many applications including machine learning. For constrained sampling, various Langevin algorithms such as projected Langevin Monte Carlo (PLMC) based on the discretization of reflected Langevin dynamics (RLD) and more generally skew-reflected non-reversible Langevin Monte Carlo (SRNLMC) based on the discretization of skew-reflected non-reversible Langevin dynamics (SRNLD) have been proposed and studied in the literature. This work focuses on the long-time behavior of SRNLD, where a skew-symmetric matrix is added to RLD. Although acceleration for SRNLD has been studied, it is not clear how one should design the skew-symmetric matrix in the dynamics to achieve good performance in practice. We establish a large deviation principle (LDP) for the empirical measure of SRNLD when the skew-symmetric matrix is chosen such that its product with the inward unit normal vector field on the boundary is zero. By explicitly characterizing the rate functions, we show that this choice of the skew-symmetric matrix accelerates the convergence to the target distribution compared to RLD and reduces the asymptotic variance. Numerical experiments for SRNLMC based on the proposed skew-symmetric matrix show superior performance, which validate the theoretical findings from the large deviations theory.


Generative System Dynamics in Recurrent Neural Networks

arXiv.org Artificial Intelligence

In this study, we investigate the continuous time dynamics of Recurrent Neural Networks (RNNs), focusing on systems with nonlinear activation functions. The objective of this work is to identify conditions under which RNNs exhibit perpetual oscillatory behavior, without converging to static fixed points. We establish that skew-symmetric weight matrices are fundamental to enable stable limit cycles in both linear and nonlinear configurations. We further demonstrate that hyperbolic tangent-like activation functions (odd, bounded, and continuous) preserve these oscillatory dynamics by ensuring motion invariants in state space. Numerical simulations showcase how nonlinear activation functions not only maintain limit cycles, but also enhance the numerical stability of the system integration process, mitigating those instabilities that are commonly associated with the forward Euler method. The experimental results of this analysis highlight practical considerations for designing neural architectures capable of capturing complex temporal dependencies, i.e., strategies for enhancing memorization skills in recurrent models.


Pairwise Comparisons without Stochastic Transitivity: Model, Theory and Applications

arXiv.org Machine Learning

Most statistical models for pairwise comparisons, including the Bradley-Terry (BT) and Thurstone models and many extensions, make a relatively strong assumption of stochastic transitivity. This assumption imposes the existence of an unobserved global ranking among all the players/teams/items and monotone constraints on the comparison probabilities implied by the global ranking. However, the stochastic transitivity assumption does not hold in many real-world scenarios of pairwise comparisons, especially games involving multiple skills or strategies. As a result, models relying on this assumption can have suboptimal predictive performance. In this paper, we propose a general family of statistical models for pairwise comparison data without a stochastic transitivity assumption, substantially extending the BT and Thurstone models. In this model, the pairwise probabilities are determined by a (approximately) low-dimensional skew-symmetric matrix. Likelihood-based estimation methods and computational algorithms are developed, which allow for sparse data with only a small proportion of observed pairs. Theoretical analysis shows that the proposed estimator achieves minimax-rate optimality, which adapts effectively to the sparsity level of the data. The spectral theory for skew-symmetric matrices plays a crucial role in the implementation and theoretical analysis. The proposed method's superiority against the BT model, along with its broad applicability across diverse scenarios, is further supported by simulations and real data analysis.


Matrix Decomposition and Applications

arXiv.org Artificial Intelligence

In 1954, Alston S. Householder published Principles of Numerical Analysis, one of the first modern treatments on matrix decomposition that favored a (block) LU decomposition-the factorization of a matrix into the product of lower and upper triangular matrices. And now, matrix decomposition has become a core technology in machine learning, largely due to the development of the back propagation algorithm in fitting a neural network. The sole aim of this survey is to give a self-contained introduction to concepts and mathematical tools in numerical linear algebra and matrix analysis in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of the Euclidean space, Hermitian space, Hilbert space, and things in the complex domain. We refer the reader to literature in the field of linear algebra for a more detailed introduction to the related fields.


Asymmetric Multiresolution Matrix Factorization

arXiv.org Machine Learning

Multiresolution Matrix Factorization (MMF) was recently introduced as an alternative to the dominant low-rank paradigm in order to capture structure in matrices at multiple different scales. Using ideas from multiresolution analysis (MRA), MMF teased out hierarchical structure in symmetric matrices by constructing a sequence of wavelet bases. While effective for such matrices, there is plenty of data that is more naturally represented as nonsymmetric matrices (e.g. directed graphs), but nevertheless has similar hierarchical structure. In this paper, we explore techniques for extending MMF to any square matrix. We validate our approach on numerous matrix compression tasks, demonstrating its efficacy compared to low-rank methods. Moreover, we also show that a combined low-rank and MMF approach, which amounts to removing a small global-scale component of the matrix and then extracting hierarchical structure from the residual, is even more effective than each of the two complementary methods for matrix compression.


Orthogonal Recurrent Neural Networks with Scaled Cayley Transform

arXiv.org Machine Learning

Recurrent Neural Networks (RNNs) are designed to handle sequential data but suffer from vanishing or exploding gradients. Recent work on Unitary Recurrent Neural Networks (uRNNs) have been used to address this issue and in some cases, exceed the capabilities of Long Short-Term Memory networks (LSTMs). We propose a simpler and novel update scheme to maintain orthogonal recurrent weight matrices without using complex valued matrices. This is done by parametrizing with a skew-symmetric matrix using the Cayley transform. Such a parametrization is unable to represent matrices with negative one eigenvalues, but this limitation is overcome by scaling the recurrent weight matrix by a diagonal matrix consisting of ones and negative ones. The proposed training scheme involves a straightforward gradient calculation and update step. In several experiments, the proposed scaled Cayley orthogonal recurrent neural network (scoRNN) achieves superior results with fewer trainable parameters than other unitary RNNs.


On Learning Rotations

Neural Information Processing Systems

An algorithm is presented for online learning of rotations. The proposed algorithm involves matrix exponentiated gradient updates and is motivated by the Von Neumann divergence. The additive updates are skew-symmetric matrices with trace zero which comprise the Lie algebra of the rotation group. The orthogonality and unit determinant of the matrix parameter are preserved using matrix logarithms and exponentials and the algorithm lends itself to interesting interpretations in terms of the computational topology of the compact Lie groups. The stability and the computational complexity of the algorithm are discussed.