The recently developed matrix based Renyi's entropy enables measurement of information in data simply using the eigenspectrum of symmetric positive semi definite (PSD) matrices in reproducing kernel Hilbert space, without estimation of the underlying data distribution. This intriguing property makes the new information measurement widely adopted in multiple statistical inference and learning tasks. However, the computation of such quantity involves the trace operator on a PSD matrix $G$ to power $\alpha$(i.e., $tr(G^\alpha)$), with a normal complexity of nearly $O(n^3)$, which severely hampers its practical usage when the number of samples (i.e., $n$) is large. In this work, we present computationally efficient approximations to this new entropy functional that can reduce its complexity to even significantly less than $O(n^2)$. To this end, we first develop randomized approximations to $\tr(\G^\alpha)$ that transform the trace estimation into matrix-vector multiplications problem. We extend such strategy for arbitrary values of $\alpha$ (integer or non-integer). We then establish the connection between the matrix-based Renyi's entropy and PSD matrix approximation, which enables us to exploit both clustering and block low-rank structure of $\G$ to further reduce the computational cost. We theoretically provide approximation accuracy guarantees and illustrate the properties of different approximations. Large-scale experimental evaluations on both synthetic and real-world data corroborate our theoretical findings, showing promising speedup with negligible loss in accuracy.
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We introduce an independence criterion based on entropy regularized optimal transport. Our criterion can be used to test for independence between two samples. We establish non-asymptotic bounds for our test statistic and study its statistical behavior under both the null hypothesis and the alternative hypothesis. The theoretical results involve tools from U-process theory and optimal transport theory. We also offer a random feature type approximation for large-scale problems, as well as a differentiable program implementation for deep learning applications. We present experimental results on existing benchmarks for independence testing, illustrating the interest of the proposed criterion to capture both linear and nonlinear dependencies in synthetic data and real data.
In this work we describe an Adaptive Regularization using Cubics (ARC) method for large-scale nonconvex unconstrained optimization using Limited-memory Quasi-Newton (LQN) matrices. ARC methods are a relatively new family of optimization strategies that utilize a cubic-regularization (CR) term in place of trust-regions and line-searches. LQN methods offer a large-scale alternative to using explicit second-order information by taking identical inputs to those used by popular first-order methods such as stochastic gradient descent (SGD). Solving the CR subproblem exactly requires Newton's method, yet using properties of the internal structure of LQN matrices, we are able to find exact solutions to the CR subproblem in a matrix-free manner, providing large speedups and scaling into modern size requirements. Additionally, we expand upon previous ARC work and explicitly incorporate first-order updates into our algorithm. We provide experimental results when the SR1 update is used, which show substantial speed-ups and competitive performance compared to Adam and other second order optimizers on deep neural networks (DNNs). We find that our new approach, ARCLQN, compares to modern optimizers with minimal tuning, a common pain-point for second order methods.
Continuous-time measurements are instrumental for a multitude of tasks in quantum engineering and quantum control, including the estimation of dynamical parameters of open quantum systems monitored through the environment. However, such measurements do not extract the maximum amount of information available in the output state, so finding alternative optimal measurement strategies is a major open problem. In this paper we solve this problem in the setting of discrete-time input-output quantum Markov chains. We present an efficient algorithm for optimal estimation of one-dimensional dynamical parameters which consists of an iterative procedure for updating a `measurement filter' operator and determining successive measurement bases for the output units. A key ingredient of the scheme is the use of a coherent quantum absorber as a way to post-process the output after the interaction with the system. This is designed adaptively such that the joint system and absorber stationary state is pure at a reference parameter value. The scheme offers an exciting prospect for optimal continuous-time adaptive measurements, but more work is needed to find realistic practical implementations.
Covariance estimation for matrix-valued data has received an increasing interest in applications. Unlike previous works that rely heavily on matrix normal distribution assumption and the requirement of fixed matrix size, we propose a class of distribution-free regularized covariance estimation methods for high-dimensional matrix data under a separability condition and a bandable covariance structure. Under these conditions, the original covariance matrix is decomposed into a Kronecker product of two bandable small covariance matrices representing the variability over row and column directions. We formulate a unified framework for estimating bandable covariance, and introduce an efficient algorithm based on rank one unconstrained Kronecker product approximation. The convergence rates of the proposed estimators are established, and the derived minimax lower bound shows our proposed estimator is rate-optimal under certain divergence regimes of matrix size. We further introduce a class of robust covariance estimators and provide theoretical guarantees to deal with heavy-tailed data. We demonstrate the superior finite-sample performance of our methods using simulations and real applications from a gridded temperature anomalies dataset and a S&P 500 stock data analysis.
SVD (singular value decomposition) is one of the basic tools of machine learning, allowing to optimize basis for a given matrix. However, sometimes we have a set of matrices $\{A_k\}_k$ instead, and would like to optimize a single common basis for them: find orthogonal matrices $U$, $V$, such that $\{U^T A_k V\}$ set of matrices is somehow simpler. For example DCT-II is orthonormal basis of functions commonly used in image/video compression - as discussed here, this kind of basis can be quickly automatically optimized for a given dataset. While also discussed gradient descent optimization might be computationally costly, there is proposed CSVD (common SVD): fast general approach based on SVD. Specifically, we choose $U$ as built of eigenvectors of $\sum_i (w_k)^q (A_k A_k^T)^p$ and $V$ of $\sum_k (w_k)^q (A_k^T A_k)^p$, where $w_k$ are their weights, $p,q>0$ are some chosen powers e.g. 1/2, optionally with normalization e.g. $A \to A - rc^T$ where $r_i=\sum_j A_{ij}, c_j =\sum_i A_{ij}$.
We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is held in canonical thermal equilibrium by weak coupling with a "super-bath". Our approach is a generalization of now standard typicality algorithms for computing the quantum expectation value of observables of bare quantum systems via trace estimators and Krylov subspace methods. In particular, our algorithm makes use of the fact that the reduced system density, when the bath is measured in a given random state, tends to concentrate about the corresponding thermodynamic averaged reduced system density. Theoretical error analysis and numerical experiments are given to validate the accuracy of our algorithm. Further numerical experiments demonstrate the potential of our approach for applications including the study of quantum phase transitions and entanglement entropy for long-range interaction systems.
In the storied Colonel Blotto game, two colonels allocate $a$ and $b$ troops, respectively, to $k$ distinct battlefields. A colonel wins a battle if they assign more troops to that particular battle, and each colonel seeks to maximize their total number of victories. Despite the problem's formulation in 1921, the first polynomial-time algorithm to compute Nash equilibrium (NE) strategies for this game was discovered only quite recently. In 2016, \citep{ahmadinejad_dehghani_hajiaghayi_lucier_mahini_seddighin_2019} formulated a breakthrough algorithm to compute NE strategies for the Colonel Blotto game\footnote{To the best of our knowledge, the algorithm from \citep{ahmadinejad_dehghani_hajiaghayi_lucier_mahini_seddighin_2019} has computational complexity $O(k^{14}\max\{a,b\}^{13})$}, receiving substantial media coverage (e.g. \citep{Insider}, \citep{NSF}, \citep{ScienceDaily}). In this work, we present the first known $\epsilon$-approximation algorithm to compute NE strategies in the two-player Colonel Blotto game in runtime $\widetilde{O}(\epsilon^{-4} k^8 \max\{a,b\}^2)$ for arbitrary settings of these parameters. Moreover, this algorithm computes approximate coarse correlated equilibrium strategies in the multiplayer (continuous and discrete) Colonel Blotto game (when there are $\ell > 2$ colonels) with runtime $\widetilde{O}(\ell \epsilon^{-4} k^8 n^2 + \ell^2 \epsilon^{-2} k^3 n (n+k))$, where $n$ is the maximum troop count. Before this work, no polynomial-time algorithm was known to compute exact or approximate equilibrium (in any sense) strategies for multiplayer Colonel Blotto with arbitrary parameters. Our algorithm computes these approximate equilibria by a novel (to the author's knowledge) sampling technique with which we implicitly perform multiplicative weights update over the exponentially many strategies available to each player.
Low-rank matrix estimation under heavy-tailed noise is challenging, both computationally and statistically. Convex approaches have been proven statistically optimal but suffer from high computational costs, especially since robust loss functions are usually non-smooth. More recently, computationally fast non-convex approaches via sub-gradient descent are proposed, which, unfortunately, fail to deliver a statistically consistent estimator even under sub-Gaussian noise. In this paper, we introduce a novel Riemannian sub-gradient (RsGrad) algorithm which is not only computationally efficient with linear convergence but also is statistically optimal, be the noise Gaussian or heavy-tailed. Convergence theory is established for a general framework and specific applications to absolute loss, Huber loss, and quantile loss are investigated. Compared with existing non-convex methods, ours reveals a surprising phenomenon of dual-phase convergence. In phase one, RsGrad behaves as in a typical non-smooth optimization that requires gradually decaying stepsizes. However, phase one only delivers a statistically sub-optimal estimator which is already observed in the existing literature. Interestingly, during phase two, RsGrad converges linearly as if minimizing a smooth and strongly convex objective function and thus a constant stepsize suffices. Underlying the phase-two convergence is the smoothing effect of random noise to the non-smooth robust losses in an area close but not too close to the truth. Lastly, RsGrad is applicable for low-rank tensor estimation under heavy-tailed noise where a statistically optimal rate is attainable with the same phenomenon of dual-phase convergence, and a novel shrinkage-based second-order moment method is guaranteed to deliver a warm initialization. Numerical simulations confirm our theoretical discovery and showcase the superiority of RsGrad over prior methods.
For a given nonnegative matrix $A=(A_{ij})$, the matrix scaling problem asks whether $A$ can be scaled to a doubly stochastic matrix $XAY$ for some positive diagonal matrices $X,Y$. The Sinkhorn algorithm is a simple iterative algorithm, which repeats row-normalization $A_{ij} \leftarrow A_{ij}/\sum_{j}A_{ij}$ and column-normalization $A_{ij} \leftarrow A_{ij}/\sum_{i}A_{ij}$ alternatively. By this algorithm, $A$ converges to a doubly stochastic matrix in limit if and only if the bipartite graph associated with $A$ has a perfect matching. This property can decide the existence of a perfect matching in a given bipartite graph $G$, which is identified with the $0,1$-matrix $A_G$. Linial, Samorodnitsky, and Wigderson showed that a polynomial number of the Sinkhorn iterations for $A_G$ decides whether $G$ has a perfect matching. In this paper, we show an extension of this result: If $G$ has no perfect matching, then a polynomial number of the Sinkhorn iterations identifies a Hall blocker -- a certificate of the nonexistence of a perfect matching. Our analysis is based on an interpretation of the Sinkhorn algorithm as alternating KL-divergence minimization (Csisz\'{a}r and Tusn\'{a}dy 1984, Gietl and Reffel 2013) and its limiting behavior for a nonscalable matrix (Aas 2014). We also relate the Sinkhorn limit with parametric network flow, principal partition of polymatroids, and the Dulmage-Mendelsohn decomposition of a bipartite graph.
Graph convolutional network (GCN) has been successfully applied to many graph-based applications; however, training a large-scale GCN remains challenging. Current SGD-based algorithms suffer from either a high computational cost that exponentially grows with number of GCN layers, or a large space requirement for keeping the entire graph and the embedding of each node in memory. In this paper, we propose Cluster-GCN, a novel GCN algorithm that is suitable for SGD-based training by exploiting the graph clustering structure. Cluster-GCN works as the following: at each step, it samples a block of nodes that associate with a dense subgraph identified by a graph clustering algorithm, and restricts the neighborhood search within this subgraph. This simple but effective strategy leads to significantly improved memory and computational efficiency while being able to achieve comparable test accuracy with previous algorithms. To test the scalability of our algorithm, we create a new Amazon2M data with 2 million nodes and 61 million edges which is more than 5 times larger than the previous largest publicly available dataset (Reddit). For training a 3-layer GCN on this data, Cluster-GCN is faster than the previous state-of-the-art VR-GCN (1523 seconds vs 1961 seconds) and using much less memory (2.2GB vs 11.2GB). Furthermore, for training 4 layer GCN on this data, our algorithm can finish in around 36 minutes while all the existing GCN training algorithms fail to train due to the out-of-memory issue. Furthermore, Cluster-GCN allows us to train much deeper GCN without much time and memory overhead, which leads to improved prediction accuracy---using a 5-layer Cluster-GCN, we achieve state-of-the-art test F1 score 99.36 on the PPI dataset, while the previous best result was 98.71 by [16]. Our codes are publicly available at //github.com/google-research/google-research/tree/master/cluster_gcn.
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