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 Statistical Learning


Understanding End-to-End Model-Based Reinforcement Learning Methods as Implicit Parameterization

Neural Information Processing Systems

Estimating the per-state expected cumulative rewards is a critical aspect of reinforcement learning approaches, however the experience is obtained, but standard deep neural-network function-approximation methods are often inefficient in this setting. An alternative approach, exemplified by value iteration networks, is to learn transition and reward models of a latent Markov decision process whose value predictions fit the data. This approach has been shown empirically to converge faster to a more robust solution in many cases, but there has been little theoretical study of this phenomenon. In this paper, we explore such implicit representations of value functions via theory and focused experimentation. We prove that, for a linear parametrization, gradient descent converges to global optima despite non-linearity and non-convexity introduced by the implicit representation.


Community Detection Guarantees using Embeddings Learned by Node2Vec

Neural Information Processing Systems

Embedding the nodes of a large network into an Euclidean space is a common objective in modernmachine learning, with a variety of tools available. These embeddings can then be used as features fortasks such as community detection/node clustering or link prediction, where they achieve state of the artperformance. With the exception of spectral clustering methods, there is little theoretical understandingfor commonly used approaches to learning embeddings. In this work we examine the theoreticalproperties of the embeddings learned by node2vec. Our main result shows that the use of k-meansclustering on the embedding vectors produced by node2vec gives weakly consistent community recoveryfor the nodes in (degree corrected) stochastic block models.


Fair Wasserstein Coresets

Neural Information Processing Systems

Data distillation and coresets have emerged as popular approaches to generate a smaller representative set of samples for downstream learning tasks to handle large-scale datasets. At the same time, machine learning is being increasingly applied to decision-making processes at a societal level, making it imperative for modelers to address inherent biases towards subgroups present in the data. While current approaches focus on creating fair synthetic representative samples by optimizing local properties relative to the original samples, their impact on downstream learning processes has yet to be explored. In this work, we present fair Wasserstein coresets ( \texttt{FWC}), a novel coreset approach which generates fair synthetic representative samples along with sample-level weights to be used in downstream learning tasks. We show that an unconstrained version of \texttt{FWC} is equivalent to Lloyd's algorithm for k-medians and k-means clustering. Experiments conducted on both synthetic and real datasets show that \texttt{FWC}: (i) achieves a competitive fairness-performance tradeoff in downstream models compared to existing approaches, (ii) improves downstream fairness when added to the existing training data and (iii) can be used to reduce biases in predictions from large language models (GPT-3.5 and GPT-4).


Reviews: Maximum-Entropy Fine Grained Classification

Neural Information Processing Systems

This paper presents a simple and effective approach for fine-grained image recognition. The core idea is to introduce max-entropy into loss function, because regular image classification networks often fail to distinguish semantically close visual classes in the feature space. The formulation is clear and the performance is very good in fine-grained tasks. I like the ablation study on CIFAR10/100 and different subsets of ImageNet, showing that this idea really works in classifying fine-grained concepts. The major drawback of this paper lies in its weak technical contribution.


Continuum Transformers Perform In-Context Learning by Operator Gradient Descent

arXiv.org Machine Learning

Transformers robustly exhibit the ability to perform in-context learning, whereby their predictive accuracy on a task can increase not by parameter updates but merely with the placement of training samples in their context windows. Recent works have shown that transformers achieve this by implementing gradient descent in their forward passes. Such results, however, are restricted to standard transformer architectures, which handle finite-dimensional inputs. In the space of PDE surrogate modeling, a generalization of transformers to handle infinite-dimensional function inputs, known as "continuum transformers," has been proposed and similarly observed to exhibit in-context learning. Despite impressive empirical performance, such in-context learning has yet to be theoretically characterized. We herein demonstrate that continuum transformers perform in-context operator learning by performing gradient descent in an operator RKHS. We demonstrate this using novel proof strategies that leverage a generalized representer theorem for Hilbert spaces and gradient flows over the space of functionals of a Hilbert space. We additionally show the operator learned in context is the Bayes Optimal Predictor in the infinite depth limit of the transformer. We then provide empirical validations of this optimality result and demonstrate that the parameters under which such gradient descent is performed are recovered through the continuum transformer training.


Statistical Inference for Online Algorithms

arXiv.org Machine Learning

Construction of confidence intervals and hypothesis tests for functionals based on asymptotically normal estimators is a classical topic in statistical inference. The simplest and in many cases optimal inference procedure is the Wald interval or the likelihood ratio test, both of which require an estimator and an estimate of the asymptotic variance of the estimator. Estimators obtained from online/sequential algorithms forces one to consider the computational aspects of the inference problem, i.e., one cannot access all of the data as many times as needed. Several works on this topic explored the online estimation of asymptotic variance. In this article, we propose computationally efficient, rate-optimal, and asymptotically valid confidence regions based on the output of online algorithms {\em without} estimating the asymptotic variance. As a special case, this implies inference from any algorithm that yields an asymptotically normal estimator. We focus our efforts on stochastic gradient descent with Polyak averaging to understand the practical performance of the proposed method.


Liouville PDE-based sliced-Wasserstein flow for fair regression

arXiv.org Machine Learning

The sliced Wasserstein flow (SWF), a nonparametric and implicit generative gradient flow, is applied to fair regression. We have improved the SWF in a few aspects. First, the stochastic diffusive term from the Fokker-Planck equation-based Monte Carlo is transformed to Liouville partial differential equation (PDE)-based transport with density estimation, however, without the diffusive term. Now, the computation of the Wasserstein barycenter is approximated by the SWF barycenter with the prescription of Kantorovich potentials for the induced gradient flow to generate its samples. These two efforts improve the convergence in training and testing SWF and SWF barycenters with reduced variance. Applying the generative SWF barycenter for fair regression demonstrates competent profiles in the accuracy-fairness Pareto curves.


Fair Clustering via Alignment

arXiv.org Machine Learning

Algorithmic fairness in clustering aims to balance the proportions of instances assigned to each cluster with respect to a given sensitive attribute. While recently developed fair clustering algorithms optimize clustering objectives under specific fairness constraints, their inherent complexity or approximation often results in suboptimal clustering utility or numerical instability in practice. To resolve these limitations, we propose a new fair clustering algorithm based on a novel decomposition of the fair $K$-means clustering objective function. The proposed algorithm, called Fair Clustering via Alignment (FCA), operates by alternately (i) finding a joint probability distribution to align the data from different protected groups, and (ii) optimizing cluster centers in the aligned space. A key advantage of FCA is that it theoretically guarantees approximately optimal clustering utility for any given fairness level without complex constraints, thereby enabling high-utility fair clustering in practice. Experiments show that FCA outperforms existing methods by (i) attaining a superior trade-off between fairness level and clustering utility, and (ii) achieving near-perfect fairness without numerical instability.


Discrete Neural Flow Samplers with Locally Equivariant Transformer

arXiv.org Machine Learning

Sampling from unnormalised discrete distributions is a fundamental problem across various domains. While Markov chain Monte Carlo offers a principled approach, it often suffers from slow mixing and poor convergence. In this paper, we propose Discrete Neural Flow Samplers (DNFS), a trainable and efficient framework for discrete sampling. DNFS learns the rate matrix of a continuous-time Markov chain such that the resulting dynamics satisfy the Kolmogorov equation. As this objective involves the intractable partition function, we then employ control variates to reduce the variance of its Monte Carlo estimation, leading to a coordinate descent learning algorithm. To further facilitate computational efficiency, we propose locally equivaraint Transformer, a novel parameterisation of the rate matrix that significantly improves training efficiency while preserving powerful network expressiveness. Empirically, we demonstrate the efficacy of DNFS in a wide range of applications, including sampling from unnormalised distributions, training discrete energy-based models, and solving combinatorial optimisation problems.


Optimal Online Change Detection via Random Fourier Features

arXiv.org Machine Learning

This article studies the problem of online non-parametric change point detection in multivariate data streams. We approach the problem through the lens of kernel-based two-sample testing and introduce a sequential testing procedure based on random Fourier features, running with logarithmic time complexity per observation and with overall logarithmic space complexity. The algorithm has two advantages compared to the state of the art. First, our approach is genuinely online, and no access to training data known to be from the pre-change distribution is necessary. Second, the algorithm does not require the user to specify a window parameter over which local tests are to be calculated. We prove strong theoretical guarantees on the algorithm's performance, including information-theoretic bounds demonstrating that the detection delay is optimal in the minimax sense. Numerical studies on real and synthetic data show that our algorithm is competitive with respect to the state of the art.