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Beyond Benign Overfitting in Nadaraya-Watson Interpolators

Neural Information Processing Systems

In recent years, there has been much interest in understanding the generalization behavior of interpolating predictors, which overfit on noisy training data. Whereas standard analyses are concerned with whether a method is consistent or not, recent observations have shown that even inconsistent predictors can generalize well. In this work, we revisit the classic interpolating Nadaraya-Watson (NW) estimator (also known as Shepard's method), and study its generalization capabilities through this modern viewpoint. In particular, by varying a single bandwidth-like hyperparameter, we prove the existence of multiple overfitting behaviors, ranging non-monotonically from catastrophic, through benign, to tempered. Our results highlight how even classical interpolating methods can exhibit intricate generalization behaviors. In addition, for the purpose of tuning the hyperparameter, the results suggest that over-estimating the intrinsic dimension of the data is less harmful than under-estimating it. Numerical experiments complement our theory, demonstrating the same phenomena.


Tighter CMI-Based Generalization Bounds via Stochastic Projection and Quantization

Neural Information Processing Systems

In this paper, we leverage stochastic projection and lossy compression to establish new conditional mutual information (CMI) bounds on the generalization error of statistical learning algorithms. It is shown that these bounds are generally tighter than the existing ones. In particular, we prove that for certain problem instances for which existing MI and CMI bounds were recently shown in Attias et al. [2024] and Livni [2023] to become vacuous or fail to describe the right generalization behavior, our bounds yield suitable generalization guarantees of the order of O(1/ n), where nis the size of the training dataset. Furthermore, we use our bounds to investigate the problem of data "memorization" raised in those works, and which asserts that there are learning problem instances for which any learning algorithm that has good prediction there exist distributions under which the algorithm must "memorize" a big fraction of the training dataset. We show that for every learning algorithm, there exists an auxiliary algorithm that does not memorize and which yields comparable generalization error for any data distribution. In part, this shows that memorization is not necessary for good generalization.


List-Level Distribution Coupling with Applications to Speculative Decoding and Lossy Compression

Neural Information Processing Systems

We study a relaxation of the problem of coupling probability distributions -- a list of samples is generated from one distribution and an accept is declared if any one of these samples is identical to the sample generated from the other distribution. We propose a novel method for generating samples, which extends the Gumbelmax sampling suggested in Daliri et al. [9] for coupling probability distributions. We also establish a corresponding lower bound on the acceptance probability, which we call the list matching lemma. We next discuss two applications of our setup. First, we develop a new mechanism for multi-draft speculative sampling that is simple to implement and achieves performance competitive with baselines such as SpecTr [38] and SpecInfer [34] across a range of language tasks. Our method also guarantees a certain degree of drafter invariance with respect to the output tokens which is not supported by existing schemes. We also provide a theoretical lower bound on the token level acceptance probability. As our second application, we consider distributed lossy compression with side information in a setting where a source sample is compressed and available to multiple decoders, each with independent side information. We propose a compression technique that is based on our generalization of Gumbel-max sampling and show that it provides significant gains in experiments involving synthetic Gaussian sources and the MNIST image dataset.


Faster Generic Identification in Tree-Shaped Structural Causal Models

Neural Information Processing Systems

Linear structural causal models (SCMs) are used to analyze the relationships between random variables. Directed edges represent direct causal effects and bidirected edges represent hidden confounders. Generically identifying the causal parameters from observed correlations between the random variables is an open problem in causality. Gupta and Bl\aser solve the case of SCMs in which the directed edges form a tree by giving a randomized polynomial time algorithm with running time $O(n^6)$. We present an improved algorithm with running time $O(n^3 \log^2 n)$ and demonstrate its feasibility by providing an implementation that outperforms existing state-of-the-art implementations.


Partial Information Decomposition via Normalizing Flows in Latent Gaussian Distributions

Neural Information Processing Systems

The study of multimodality has garnered significant interest in fields where analyzing interactions among multiple information sources can enhance predictive modeling, data fusion, and interpretability. Partial information decomposition (PID) has emerged as a useful information-theoretic framework to quantify the degree to which individual modalities independently, redundantly, or synergistically convey information about a target variable. However, existing PID methods depend on optimizing over a joint distribution constrained by estimated pairwise probability distributions, which are costly and inaccurate for continuous and high-dimensional modalities. Our first key insight is that the problem can be solved efficiently when the pairwise distributions are multivariate Gaussians, and we refer to this problem as Gaussian PID (GPID). We propose a new gradient-based algorithm that substantially enhances computational efficiency for GPID based on an alternative formulation of the underlying optimization problem. To generalize the applicability to non-Gaussian data, we learn information-preserving encoders to transform random variables of arbitrary input distributions into pairwise Gaussian random variables. Along the way, we resolved an open problem regarding the optimality of joint Gaussian solutions for GPID. Empirical validation on diverse synthetic examples demonstrates that our proposed method provides more accurate and efficient PID estimates than existing baselines. We further evaluate on a series of large-scale multimodal benchmarks to show its utility in real-world applications of quantifying PID in multimodal datasets and selecting high-performing models.


Optimal Gap-Dependent Regret for Private Stochastic Decision-Theoretic Online Learning

arXiv.org Machine Learning

We study stochastic decision-theoretic online learning with full information and event-level pure differential privacy. A COLT open problem of Hu and Mehta asks to determine the optimal gap-dependent regret rate for stochastic decision-theoretic online learning under pure event-level differential privacy. For $K$ actions, losses in $[0,1]$, and a unique best action separated from the second-best action by gap $Δ_{\min}$, the known lower bound is of order $ \frac{\log K}{\min\{Δ_{\min},\varepsilon\}}, $ or equivalently, up to universal constants, of order \[ \frac{\log K}{Δ_{\min}}+\frac{\log K}{\varepsilon}. \] We give a horizon-free pure-DP algorithm and prove the explicit regret bound \[ \operatorname{Reg}_T \le 1000 \cdot \left(\frac{\log K}{Δ_{\min}}+\frac{\log K}{\varepsilon}\right) \] for every horizon $T$. The numerical constant is not optimized. The algorithm partitions time into blocks of exponentially increasing size, plays a single action throughout each block, and chooses the next action by an exponential mechanism applied to a data-independent random prefix of the previous block. The random prefix converts block regret into a sum, over all prefix lengths, of softmax selection errors. A single entropy-potential argument controls all privacy-dominated large-gap actions at cost $\log K/\varepsilon$.


The Thermodynamic Costs of Simple Linear Regression

arXiv.org Machine Learning

The construction of models from data is a significant contributor to the energetic costs of computation. Because of this, understanding how foundational thermodynamic bounds apply to modeling algorithms will be increasingly important. Here, we study the thermodynamic costs of a basic and fundamental modeling algorithm: simple linear regression. Following Landauer, we approximate the thermodynamic lower bound on irreversibly performing both exact linear regression and linear regression via stochastic gradient descent as implemented on floating-point numbers. From this, we derive energycost aware scaling laws for the optimal dataset size for training a linear regression model given a generalization error dependent demand for inference. Additionally, we discuss a method to lower bound the entropy production from the mismatch cost for algorithms with continuous input variables.


A Stable Distance Persistence Homology for Dynamic Bayesian Network Clustering

arXiv.org Machine Learning

Dynamic Bayesian networks (DBNs) are a widely used framework for modeling systems whose probabilistic structure evolves over time. Standard inference methods focus on local conditional distributions and can miss larger-scale patterns in how dependencies between variables organize and change over time. We introduce a topological approach to this problem. To each DBN we associate a time-varying graph, called a Dynamic Bayesian Graph (DBG), by assigning to each edge a strength that measures variation in its conditional dependence across parent configurations, and retaining edges whose strength exceeds a chosen threshold. We show that this construction fits within the dynamic graph framework of Kim and Mémoli, enabling the use of tools from topological data analysis. Applying persistent homology to a DBG produces a barcode, which records the merging and disappearance of connected groups of strongly dependent variables over time. We prove that this barcode is stable: small perturbations in the conditional probability tables of the DBN lead to small changes in the resulting barcode. This yields a principled and noise-resistant summary of how dependency structure evolves in a dynamic Bayesian network.


A Refined Generalization Analysis for Extreme Multi-class Supervised Contrastive Representation Learning

arXiv.org Machine Learning

Contrastive Representation Learning (CRL) has achieved strong empirical success in multiple machine learning disciplines, yet its theoretical sample complexity remains poorly understood. Existing analyses usually assume that input tuples are identically and independently distributed, an assumption violated in most practical settings where contrastive tuples are constructed from a finite pool of labeled data, inducing dependencies among tuples. While one recent work analyzed this learning setting using U-Statistics to estimate the population risk, the techniques used therein require the risk of each class to concentrate uniformly, making excess risk bounds scale in the order of $ρ_{\min}^{-{1}/{2}}$ where $ρ_{\min}$ denotes the probability of the rarest class. Such a dependency can be overly pessimistic in the extreme multiclass settings where there are many tail classes which contribute minimally to the overall population risk. Our contributions are two-fold. Firstly, we improve upon the previous work and prove a bound with a sample complexity of the same order as the number of classes $R$, regardless of the distribution over classes. Furthermore, we formulate a different estimator that captures the concentration of the risk \textit{across classes}, enabling sharper bounds in extreme multi-class learning scenarios, especially where class distributions are long-tailed. Under mild assumptions on the class distributions, the resulting sample complexity is $\mathcal{O}(k)$ where $k$ is the number of samples per tuple.


Cost-Ordered Feasibility for Multi-Armed Bandits with Cost Subsidy

arXiv.org Machine Learning

The classic multi-armed bandit (MAB) problem tackles the challenge of accruing maximum reward while making decisions under uncertainty. However, in applications, often the goal is to minimize cost subject to a constraint on the minimum permissible reward, an objective captured by multi-armed bandits with cost-subsidy (MAB-CS). Of interest to this paper is the setting where the quality (reward) constraint is specified relative to the unknown best reward and the cost of each arm is known. We characterize the expected sub-optimal samples required by any policy by proving instance-dependent lower bounds that offer new insight into the problem and are a strict generalization of prior bounds. Then, we propose an algorithm called Cost-Ordered Feasibility (COF) that leverages our insight and intelligently combine samples from all arms to gauge the feasibility of a cheap arm. Thereafter, we analyze COF to establish instance-dependent upper bounds on its expected cumulative cost and quality regret, i.e., relative to the cheapest feasible arm. Finally, we empirically validate the merits of COF, comparing it to baselines from the literature through extensive simulation experiments on the MovieLens and Goodreads datasets as well as representative synthetic instances. Not only does our paper develop qualitatively better theoretical regret upper bounds, but COF also convincingly demonstrates improved empirical performance.