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 Mathematical & Statistical Methods


Factoring nonnegative matrices with linear programs

Neural Information Processing Systems

This paper describes a new approach for computing nonnegative matrix factorizations (NMFs) with linear programming. The key idea is a data-driven model for the factorization, in which the most salient features in the data are used to express the remaining features. More precisely, given a data matrix X, the algorithm identifies a matrix C that satisfies X CX and some linear constraints. The matrix C selects features, which are then used to compute a low-rank NMF of X. A theoretical analysis demonstrates that this approach has the same type of guarantees as the recent NMF algorithm of Arora et al. (2012).


Faster Differentially Private Convex Optimization via Second-Order Methods

Neural Information Processing Systems

Differentially private (stochastic) gradient descent is the workhorse of DP private machine learning in both the convex and non-convex settings. In this work, we investigate the prospect of using the second-order information from the loss function to accelerate DP convex optimization. We first develop a private variant of the regularized cubic Newton method of Nesterov and Polyak, and show that for the class of strongly convex loss functions, our algorithm has quadratic convergence and achieves the optimal excess loss. We theoretically and empirically study the performance of our algorithm. Empirical results show our algorithm consistently achieves the best excess loss compared to other baselines and is 10-40x faster than DP-GD/DP-SGD for challenging datasets.


On the Overlooked Structure of Stochastic Gradients

Neural Information Processing Systems

Stochastic gradients closely relate to both optimization and generalization of deep neural networks (DNNs). Some works attempted to explain the success of stochastic optimization for deep learning by the arguably heavy-tail properties of gradient noise, while other works presented theoretical and empirical evidence against the heavy-tail hypothesis on gradient noise. Unfortunately, formal statistical tests for analyzing the structure and heavy tails of stochastic gradients in deep learning are still under-explored. In this paper, we mainly make two contributions. First, we conduct formal statistical tests on the distribution of stochastic gradients and gradient noise across both parameters and iterations.


Differentiable Optimization of Generalized Nondecomposable Functions using Linear Programs

Neural Information Processing Systems

We propose a framework which makes it feasible to directly train deep neural networks with respect to popular families of task-specific non-decomposable performance measures such as AUC, multi-class AUC, F -measure and others. A common feature of the optimization model that emerges from these tasks is that it involves solving a Linear Programs (LP) during training where representations learned by upstream layers characterize the constraints or the feasible set. The constraint matrix is not only large but the constraints are also modified at each iteration. We show how adopting a set of ingenious ideas proposed by Mangasarian for 1-norm SVMs -- which advocates for solving LPs with a generalized Newton method -- provides a simple and effective solution that can be run on the GPU. In particular, this strategy needs little unrolling, which makes it more efficient during backward pass.


CoLA: Exploiting Compositional Structure for Automatic and Efficient Numerical Linear Algebra

Neural Information Processing Systems

Moreover, CoLA provides memory efficient automatic differentiation, low precision computation, and GPU acceleration in both JAX and PyTorch, while also accommodating new objects, operations, and rules in downstream packages via multiple dispatch. CoLA can accelerate many algebraic operations, while making it easy to prototype matrix structures and algorithms, providing an appealing drop-in tool for virtually any computational effort that requires linear algebra. We showcase its efficacy across a broad range of applications, including partial differential equations, Gaussian processes, equivariant model construction, and unsupervised learning.


On Contrastive Representations of Stochastic Processes

Neural Information Processing Systems

Learning representations of stochastic processes is an emerging problem in machine learning with applications from meta-learning to physical object models to time series. Typical methods rely on exact reconstruction of observations, but this approach breaks down as observations become high-dimensional or noise distributions become complex. To address this, we propose a unifying framework for learning contrastive representations of stochastic processes (CReSP) that does away with exact reconstruction. We dissect potential use cases for stochastic process representations, and propose methods that accommodate each. Empirically, we show that our methods are effective for learning representations of periodic functions, 3D objects and dynamical processes.


Deep Stochastic Processes via Functional Markov Transition Operators

Neural Information Processing Systems

We introduce Markov Neural Processes (MNPs), a new class of Stochastic Processes (SPs) which are constructed by stacking sequences of neural parameterised Markov transition operators in function space. We prove that these Markov transition operators can preserve the exchangeability and consistency of SPs. Therefore, the proposed iterative construction adds substantial flexibility and expressivity to the original framework of Neural Processes (NPs) without compromising consistency or adding restrictions. Our experiments demonstrate clear advantages of MNPs over baseline models on a variety of tasks.


Closing the Gap: Tighter Analysis of Alternating Stochastic Gradient Methods for Bilevel Problems

Neural Information Processing Systems

Stochastic nested optimization, including stochastic compositional, min-max, and bilevel optimization, is gaining popularity in many machine learning applications. While the three problems share a nested structure, existing works often treat them separately, thus developing problem-specific algorithms and analyses. Among various exciting developments, simple SGD-type updates (potentially on multiple variables) are still prevalent in solving this class of nested problems, but they are believed to have a slower convergence rate than non-nested problems. By leveraging the hidden smoothness of the problem, this paper presents a tighter analysis of ALSET for stochastic nested problems. Under the new analysis, to achieve an \epsilon -stationary point of the nested problem, it requires {\cal O}(\epsilon {-2}) samples in total.


Residual2Vec: Debiasing graph embedding with random graphs

Neural Information Processing Systems

Many graph embedding methods hinge on a sampling of context nodes based on random walks. However, random walks can be a biased sampler due to the structural properties of graphs. Most notably, random walks are biased by the degree of each node, where a node is sampled proportionally to its degree. The implication of such biases has not been clear, particularly in the context of graph representation learning. Here, we investigate the impact of the random walks' bias on graph embedding and propose residual2vec, a general graph embedding method that can debias various structural biases in graphs by using random graphs. We demonstrate that this debiasing not only improves link prediction and clustering performance but also allows us to explicitly model salient structural properties in graph embedding.


Faster Linear Algebra for Distance Matrices

Neural Information Processing Systems

The distance matrix of a dataset X of n points with respect to a distance function f represents all pairwise distances between points in X induced by f . Due to their wide applicability, distance matrices and related families of matrices have been the focus of many recent algorithmic works. We continue this line of research and take a broad view of algorithm design for distance matrices with the goal of designing fast algorithms, which are specifically tailored for distance matrices, for fundamental linear algebraic primitives. Our results include efficient algorithms for computing matrix-vector products for a wide class of distance matrices, such as the \ell_1 metric for which we get a linear runtime, as well as an \Omega(n 2) lower bound for any algorithm which computes a matrix-vector product for the \ell_{\infty} case, showing a separation between the \ell_1 and the \ell_{\infty} metrics. Our upper bound results in conjunction with recent works on the matrix-vector query model have many further downstream applications, including the fastest algorithm for computing a relative error low-rank approximation for the distance matrix induced by \ell_1 and \ell_2 2 functions and the fastest algorithm for computing an additive error low-rank approximation for the \ell_2 metric, in addition to applications for fast matrix multiplication among others.