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 Mathematical & Statistical Methods


Gaussian mixture models in Hilbert spaces via kernel methods

arXiv.org Machine Learning

Modern datasets across many disciplines increasingly consist of time-evolving, potentially infinite-dimensional random objects, such as dynamic functional data, which are naturally modeled in Hilbert spaces. In these settings, characterizing probability measures, for example, through densities, can be ill-defined or technically challenging. Motivated by clustering applications, we propose a Gaussian mixture framework for Hilbert-space-valued data based on kernel mean embeddings and develop efficient optimization algorithms for estimation. We establish theoretical guarantees showing that the proposed algorithm is well defined and that the model yields a dense class of approximations in infinite-dimensional spaces. We evaluate the framework through extensive experiments on diverse structures and data geometries, including $L^2$-functional data and random graphs in Laplacian spaces arising in modern medical applications.


Adaptive Estimation and Optimal Control in Offline Contextual MDPs without Stationarity

arXiv.org Machine Learning

Contextual MDPs are powerful tools with wide applicability in areas from biostatistics to machine learning. However, specializing them to offline datasets has been challenging due to a lack of robust, theoretically backed methods. Our work tackles this problem by introducing a new approach towards adaptive estimation and cost optimization of contextual MDPs. This estimator, to the best of our knowledge, is the first of its kind, and is endowed with strong optimality guarantees. We achieve this by overcoming the key technical challenges evolving from the endogenous properties of contextual MDPs; such as non-stationarity, or model irregularity. Our guarantees are established under complete generality by utilizing the relatively recent and powerful statistical technique of $T$-estimation (Baraud, 2011). We first provide a procedure for selecting an estimator given a sample from a contextual MDP and use it to derive oracle risk bounds under two distinct, but nevertheless meaningful, loss functions. We then consider the problem of determining the optimal control with the aid of the aforementioned density estimate and provide finite sample guarantees for the cost function.


Adaptive graph-based algorithms for conditional anomaly detection and semi-supervised learning

arXiv.org Machine Learning

We develop graph-based methods for semi-supervised learning based on label propagation on a data similarity graph. When data is abundant or arrive in a stream, the problems of computation and data storage arise for any graph-based method. We propose a fast approximate online algorithm that solves for the harmonic solution on an approximate graph. We show, both empirically and theoretically, that good behavior can be achieved by collapsing nearby points into a set of local representative points that minimize distortion. Moreover, we regularize the harmonic solution to achieve better stability properties. We also present graph-based methods for detecting conditional anomalies and apply them to the identification of unusual clinical actions in hospitals. Our hypothesis is that patient-management actions that are unusual with respect to the past patients may be due to errors and that it is worthwhile to raise an alert if such a condition is encountered. Conditional anomaly detection extends standard unconditional anomaly framework but also faces new problems known as fringe and isolated points. We devise novel nonparametric graph-based methods to tackle these problems. Our methods rely on graph connectivity analysis and soft harmonic solution. Finally, we conduct an extensive human evaluation study of our conditional anomaly methods by 15 experts in critical care.


Decentralized Proximal Stochastic Gradient Langevin Dynamics

arXiv.org Machine Learning

Decentralized learning is a learning process in which data is distributed across computational agents or collected by individual agents, and model parameters are computed as the consensus of the agents. It has gained a lot of interest for applications where agents can collaboratively learn a predictive model without sharing their own data, but sharing only their local models with their immediate neighbors to generate a global model [He et al., 2018, Hendrikx et al., 2019, Arjevani et al., 2020]. We assume there are N agents who are connected over an undirected communication network G = (V,E) where V = {1,...,N} represents the agents and E V V denotes the set of edges; i.e., if agent i and j are connected then (i,j) E implies (j,i) E. Suppose we have a collection of n independent and identically distributed (i.i.d.) data pairs zi = (ai,yi), where ai Rp is the feature vector and yi the label or response of the i-th observation. Let Z = [z1,z2,,zn] Rnp be sampled from the distribution p(Z|x) where the parameter x Rd has a common prior. The goal is to sample from the posterior distribution p(x|Z) p(Z|x)p(x) by distributing Z among N agents such that Zi = {zi1,zi2,,zini} is the subset of data exclusive to agent i.


Decentralized Randomly Distributed Multi-agent Multi-armed Bandit with Heterogeneous Rewards

Neural Information Processing Systems

We study a decentralized multi-agent multi-armed bandit problem in which multiple clients are connected by time dependent random graphs provided by an environment. The reward distributions of each arm vary across clients and rewards are generated independently over time by an environment based on distributions that include both sub-exponential and sub-Gaussian distributions. Each client pulls an arm and communicates with neighbors based on the graph provided by the environment. The goal is to minimize the overall regret of the entire system through collaborations. To this end, we introduce a novel algorithmic framework, which first provides robust simulation methods for generating random graphs using rapidly mixing Markov chains or the random graph model, and then combines an averaging-based consensus approach with a newly proposed weighting technique and the upper confidence bound to deliver a UCB-type solution. Our algorithms account for the randomness in the graphs, removing the conventional doubly stochasticity assumption, and only require the knowledge of the number of clients at initialization. We derive optimal instance-dependent regret upper bounds of order logT in both sub-Gaussian and sub-exponential environments, and a nearly optimal mean-gap independent regret upper bound of order T logT up to a logT factor. Importantly, our regret bounds hold with high probability and capture graph randomness, whereas prior works consider expected regret under assumptions and require more stringent reward distributions.


Finite Population Regression Adjustment and Non-asymptotic Guarantees for Treatment Effect Estimation

Neural Information Processing Systems

The design and analysis of randomized experiments is fundamental to many areas, from the physical and social sciences to industrial settings. Regression adjustment is a popular technique to reduce the variance of estimates obtained from experiments, by utilizing information contained in auxiliary covariates. While there is a large literature within the statistics community studying various approaches to regression adjustment and their asymptotic properties, little focus has been given to approaches in the finite population setting with non-asymptotic accuracy bounds. Further, prior work typically assumes that an entire population is exposed to an experiment, whereas practitioners often seek to minimize the number of subjects exposed to an experiment, for ethical and pragmatic reasons. In this work, we study the problems of estimating the sample mean, individual treatment effects, and average treatment effect with regression adjustment. We propose approaches that use techniques from randomized numerical linear algebra to sample a subset of the population on which to perform an experiment. We give non-asymptotic accuracy bounds for our methods and demonstrate that they compare favorably with prior approaches.


Inference of Online Newton Methods with Nesterov's Accelerated Sketching

arXiv.org Machine Learning

Reliable decision-making with streaming data requires principled uncertainty quantification of online methods. While first-order methods enable efficient iterate updates, their inference procedures still require updating proper (covariance) matrices, incurring $O(d^2)$ time and memory complexity, and are sensitive to ill-conditioning and noise heterogeneity of the problem. This costly inference task offers an opportunity for more robust second-order methods, which are, however, bottlenecked by solving Newton systems with $O(d^3)$ complexity. In this paper, we address this gap by studying an online Newton method with Hessian averaging, where the Newton direction at each step is approximately computed using a sketch-and-project solver with Nesterov's acceleration, matching $O(d^2)$ complexity of first-order methods. For the proposed method, we quantify its uncertainty arising from both random data and randomized computation. Under standard smoothness and moment conditions, we establish global almost-sure convergence, prove asymptotic normality of the last iterate with a limiting covariance characterized by a Lyapunov equation, and develop a fully online covariance estimator with non-asymptotic convergence guarantees. We also connect the resulting uncertainty quantification to that of exact and sketched Newton methods without Nesterov's acceleration. Extensive experiments on regression models demonstrate the superiority of the proposed method for online inference.


Sharp Analysis of Stochastic Optimization under Global Kurdyka-ลojasiewicz Inequality

Neural Information Processing Systems

We study the complexity of finding the global solution to stochastic nonconvex optimization when the objective function satisfies global Kurdyka-ลojasiewicz (Kล) inequality and the queries from stochastic gradient oracles satisfy mild expected smoothness assumption. We first introduce a general framework to analyze Stochastic Gradient Descent (SGD) and its associated nonlinear dynamics under the setting. As a byproduct of our analysis, we obtain a sample complexity of O(ฯต (4 ฮฑ)/ฮฑ) for SGD when the objective satisfies the so called ฮฑ-Pล condition, where ฮฑ is the degree of gradient domination. Furthermore, we show that a modified SGD with variance reduction and restarting (PAGER) achieves an improved sample complexity of O(ฯต 2/ฮฑ)when the objective satisfies the average smoothness assumption. This leads to the first optimal algorithm for the important case of ฮฑ = 1 which appears in applications such as policy optimization in reinforcement learning.


On the Universality of Graph Neural Networks on Large Random Graphs

Neural Information Processing Systems

We study the approximation power of Graph Neural Networks (GNNs) on latent position random graphs. In the large graph limit, GNNs are known to converge to certain "continuous" models known as c-GNNs, which directly enables a study of their approximation power on random graph models. In the absence of input node features however, just as GNNs are limited by the Weisfeiler-Lehman isomorphism test, c-GNNs will be severely limited on simple random graph models. For instance, they will fail to distinguish the communities of a well-separated Stochastic Block Model (SBM) with constant degree function. Thus, we consider recently proposed architectures that augment GNNs with unique node identifiers, referred to as Structural GNNs here (SGNNs). We study the convergence of SGNNs to their continuous counterpart (c-SGNNs) in the large random graph limit, under new conditions on the node identifiers. We then show that c-SGNNs are strictly more powerful than c-GNNs in the continuous limit, and prove their universality on several random graph models of interest, including most SBMs and a large class of random geometric graphs. Our results cover both permutation-invariant and permutation-equivariant architectures.


Greedy and Random Quasi-Newton Methods with Faster Explicit Superlinear Convergence

Neural Information Processing Systems

In this paper, we follow Rodomanov and Nesterov [19]'s work to study quasiNewton methods. We focus on the common SR1 and BFGS quasi-Newton methods to establish better explicit (local) superlinear convergence rates. First, based on the greedy quasi-Newton update which greedily selects the direction to maximize a certain measure of progress, we improve the convergence rate to a conditionnumber-free superlinear convergence rate. Second, based on the random quasiNewton update that selects the direction randomly from a spherically symmetric distribution, we show the same superlinear convergence rate established as above. Our analysis is closely related to the approximation of a given Hessian matrix, unconstrained quadratic objective, as well as the general strongly convex, smooth and strongly self-concordant functions.