OpenRaiser/Intern-Atlas huggingface dataset:
Community Recovery in the Geometric Block Model
Venue: Journal JMLR 2023
Year: 2023

To capture the inherent geometric features of many community detection problems, we propose to use a new random graph model of communities that we call a Geometric Block Model. The geometric block model builds on the random geometric graphs (Gilbert, 1961), one of the basic models of random graphs for spatial networks, in the same way that the well-studied stochastic block model builds on the Erdős-R\'{en}yi random graphs. It is also a natural extension of random community models inspired by the recent theoretical and practical advancements in community detection. To analyze the geometric block model, we first provide new connectivity results for random annulus graphs which are generalizations of random geometric graphs. The connectivity properties of geometric graphs have been studied since their introduction, and analyzing them has been more difficult than their Erdős-R\'{en}yi counterparts due to correlated edge formation. We then use the connectivity results of random annulus graphs to provide necessary and sufficient conditions for efficient recovery of communities for the geometric block model. We show that a simple triangle-counting algorithm to detect communities in the geometric block model is near-optimal. For this we consider the following two regimes of graph density. In the regime where the average degree of the graph grows logarithmically with the number of vertices, we show that our algorithm performs extremely well, both theoretically and practically. In contrast, the triangle-counting algorithm is far from being optimum for the stochastic block model in the logarithmic degree regime. We simulate our results on both real and synthetic datasets to show superior performance of both the new model as well as our algorithm.
GANs as Gradient Flows that Converge
Venue: Journal JMLR 2023
Year: 2023

This paper approaches the unsupervised learning problem by gradient descent in the space of probability density functions. A main result shows that along the gradient flow induced by a distribution-dependent ordinary differential equation (ODE), the unknown data distribution emerges as the long-time limit. That is, one can uncover the data distribution by simulating the distribution-dependent ODE. Intriguingly, the simulation of the ODE is shown equivalent to the training of generative adversarial networks (GANs). This equivalence provides a new "cooperative" view of GANs and, more importantly, sheds new light on the divergence of GANs. In particular, it reveals that the GAN algorithm implicitly minimizes the mean squared error (MSE) between two sets of samples, and this MSE fitting alone can cause GANs to diverge. To construct a solution to the distribution-dependent ODE, we first show that the associated nonlinear Fokker-Planck equation has a unique weak solution, by the Crandall-Liggett theorem for differential equations in Banach spaces. Based on this solution to the Fokker-Planck equation, we construct a unique solution to the ODE, using Trevisan's superposition principle. The convergence of the induced gradient flow to the data distribution is obtained by analyzing the Fokker-Planck equation.
From Understanding Genetic Drift to a Smart-Restart Mechanism for  Estimation-of-Distribution Algorithms
Venue: Journal JMLR 2023
Year: 2023

Estimation-of-distribution algorithms (EDAs) are optimization algorithms that learn a distribution on the search space from which good solutions can be sampled easily. A key parameter of most EDAs is the sample size (population size). If the population size is too small, the update of the probabilistic model builds on few samples, leading to the undesired effect of genetic drift. Too large population sizes avoid genetic drift, but slow down the process. Building on a recent quantitative analysis of how the population size leads to genetic drift, we design a smart-restart mechanism for EDAs. By stopping runs when the risk for genetic drift is high, it automatically runs the EDA in good parameter regimes. Via a mathematical runtime analysis, we prove a general performance guarantee for this smart-restart scheme. This in particular shows that in many situations where the optimal (problem-specific) parameter values are known, the restart scheme automatically finds these, leading to the asymptotically optimal performance. We also conduct an extensive experimental analysis. On four classic benchmark problems, we clearly observe the critical influence of the population size on the performance, and we find that the smart-restart scheme leads to a performance close to the one obtainable with optimal parameter values. Our results also show that previous theory-based suggestions for the optimal population size can be far from the optimal ones, leading to a performance clearly inferior to the one obtained via the smart-restart scheme. We also conduct experiments with PBIL (cross-entropy algorithm) on two combinatorial optimization problems from the literature, the max-cut problem and the bipartition problem. Again, we observe that the smart-restart mechanism finds much better values for the population size than those suggested in the literature, leading to a much better performance.
A Unified Framework for Factorizing Distributional Value Functions for Multi-Agent Reinforcement Learning
Venue: Journal JMLR 2023
Year: 2023

In fully cooperative multi-agent reinforcement learning (MARL) settings, environments are highly stochastic due to the partial observability of each agent and the continuously changing policies of other agents. To address the above issues, we proposed a unified framework, called DFAC, for integrating distributional RL with value function factorization methods. This framework generalizes expected value function factorization methods to enable the factorization of return distributions. To validate DFAC, we first demonstrate its ability to factorize the value functions of a simple matrix game with stochastic rewards. Then, we perform experiments on all Super Hard maps of the StarCraft Multi-Agent Challenge and six self-designed Ultra Hard maps, showing that DFAC is able to outperform a number of baselines.
The multimarginal optimal transport formulation of adversarial multiclass classification
Venue: Journal JMLR 2023
Year: 2023

We study a family of adversarial multiclass classification problems and provide equivalent reformulations in terms of: 1) a family of generalized barycenter problems introduced in the paper and 2) a family of multimarginal optimal transport problems where the number of marginals is equal to the number of classes in the original classification problem. These new theoretical results reveal a rich geometric structure of adversarial learning problems in multiclass classification and extend recent results restricted to the binary classification setting. A direct computational implication of our results is that by solving either the barycenter problem and its dual, or the MOT problem and its dual, we can recover the optimal robust classification rule and the optimal adversarial strategy for the original adversarial problem. Examples with synthetic and real data illustrate our results.
The Implicit Bias of Benign Overfitting
Venue: Journal JMLR 2023
Year: 2023

The phenomenon of benign overfitting, where a predictor perfectly fits noisy training data while attaining near-optimal expected loss, has received much attention in recent years, but still remains not fully understood beyond well-specified linear regression setups. In this paper, we provide several new results on when one can or cannot expect benign overfitting to occur, for both regression and classification tasks. We consider a prototypical and rather generic data model for benign overfitting of linear predictors, where an arbitrary input distribution of some fixed dimension $k$ is concatenated with a high-dimensional distribution. For linear regression which is not necessarily well-specified, we show that the minimum-norm interpolating predictor (that standard training methods converge to) is biased towards an inconsistent solution in general, hence benign overfitting will generally not occur. Moreover, we show how this can be extended beyond standard linear regression, by an argument proving how the existence of benign overfitting on some regression problems precludes its existence on other regression problems. We then turn to classification problems, and show that the situation there is much more favorable. Specifically, we prove that the max-margin predictor (to which standard training methods are known to converge in direction) is asymptotically biased towards minimizing a weighted \emph{squared hinge loss}. This allows us to reduce the question of benign overfitting in classification to the simpler question of whether this loss is a good surrogate for the misclassification error, and use it to show benign overfitting in some new settings.
Generalization Bounds for Adversarial Contrastive Learning
Venue: Journal JMLR 2023
Year: 2023

Deep networks are well-known to be fragile to adversarial attacks, and adversarial training is one of the most popular methods used to train a robust model. To take advantage of unlabeled data, recent works have applied adversarial training to contrastive learning (Adversarial Contrastive Learning; ACL for short) and obtain promising robust performance. However, the theory of ACL is not well understood. To fill this gap, we leverage the Rademacher complexity to analyze the generalization performance of ACL, with a particular focus on linear models and multi-layer neural networks under $\ell_p$ attack ($p \ge 1$). Our theory shows that the average adversarial risk of the downstream tasks can be upper bounded by the adversarial unsupervised risk of the upstream task. The experimental results validate our theory.
Interpretable and Fair Boolean Rule Sets via Column Generation
Venue: Journal JMLR 2023
Year: 2023

This paper considers the learning of Boolean rules in disjunctive normal form (DNF, OR-of-ANDs, equivalent to decision rule sets) as an interpretable model for classification. An integer program is formulated to optimally trade classification accuracy for rule simplicity. We also consider the fairness setting and extend the formulation to include explicit constraints on two different measures of classification parity: equality of opportunity and equalized odds. Column generation (CG) is used to efficiently search over an exponential number of candidate rules without the need for heuristic rule mining. To handle large data sets, we propose an approximate CG algorithm using randomization. Compared to three recently proposed alternatives, the CG algorithm dominates the accuracy-simplicity trade-off in 8 out of 16 data sets. When maximized for accuracy, CG is competitive with rule learners designed for this purpose, sometimes finding significantly simpler solutions that are no less accurate. Compared to other fair and interpretable classifiers, our method is able to find rule sets that meet stricter notions of fairness with a modest trade-off in accuracy.
A Bayesian Bradley-Terry model to compare multiple ML algorithms on multiple data sets
Venue: Journal JMLR 2023
Year: 2023

This paper proposes a Bayesian model to compare multiple algorithms on multiple data sets, on any metric. The model is based on the Bradley-Terry model, that counts the number of times one algorithm performs better than another on different data sets. Because of its Bayesian foundations, the Bayesian Bradley Terry model (BBT) has different characteristics than frequentist approaches to comparing multiple algorithms on multiple data sets, such as Demsar (2006) tests on mean rank, and Benavoli et al. (2016) multiple pairwise Wilcoxon tests with p-adjustment procedures. In particular, a Bayesian approach allows for more nuanced statements regarding the algorithms beyond claiming that the difference is or it is not statistically significant. Bayesian approaches also allow to define when two algorithms are equivalent for practical purposes, or the region of practical equivalence (ROPE). Different than a Bayesian signed rank comparison procedure proposed by Benavoli et al. (2017), our approach can define a ROPE for any metric, since it is based on probability statements, and not on differences of that metric. This paper also proposes a local ROPE concept, that evaluates whether a positive difference between a mean measure across some cross validation to the mean of some other algorithms is should be really seen as the first algorithm being better than the second, based on effect sizes. This local ROPE proposal is independent of a Bayesian use, and can be used in frequentist approaches based on ranks. A R package and a Python program that implements the BBT is available.
The Geometry and Calculus of Losses
Venue: Journal JMLR 2023
Year: 2023

Statistical decision problems lie at the heart of statistical machine learning. The simplest problems are binary and multiclass classification and class probability estimation. Central to their definition is the choice of loss function, which is the means by which the quality of a solution is evaluated. In this paper we systematically develop the theory of loss functions for such problems from a novel perspective whose basic ingredients are convex sets with a particular structure. The loss function is defined as the subgradient of the support function of the convex set. It is consequently automatically proper (calibrated for probability estimation). This perspective provides three novel opportunities. It enables the development of a fundamental relationship between losses and (anti)-norms that appears to have not been noticed before. Second, it enables the development of a calculus of losses induced by the calculus of convex sets which allows the interpolation between different losses, and thus is a potential useful design tool for tailoring losses to particular problems. In doing this we build upon, and considerably extend existing results on $M$-sums of convex sets. Third, the perspective leads to a natural theory of ``polar'' loss functions, which are derived from the polar dual of the convex set defining the loss, and which form a natural universal substitution function for Vovk's aggregating algorithm.
A General Learning Framework for Open Ad Hoc Teamwork Using Graph-based Policy Learning
Venue: Journal JMLR 2023
Year: 2023

Open ad hoc teamwork is the problem of training a single agent to efficiently collaborate with an unknown group of teammates whose composition may change over time. A variable team composition creates challenges for the agent, such as the requirement to adapt to new team dynamics and dealing with changing state vector sizes. These challenges are aggravated in real-world applications in which the controlled agent only has a partial view of the environment. In this work, we develop a class of solutions for open ad hoc teamwork under full and partial observability. We start by developing a solution for the fully observable case that leverages graph neural network architectures to obtain an optimal policy based on reinforcement learning. We then extend this solution to partially observable scenarios by proposing different methodologies that maintain belief estimates over the latent environment states and team composition. These belief estimates are combined with our solution for the fully observable case to compute an agent's optimal policy under partial observability in open ad hoc teamwork. Empirical results demonstrate that our solution can learn efficient policies in open ad hoc teamwork in fully and partially observable cases. Further analysis demonstrates that our methods' success is a result of effectively learning the effects of teammates' actions while also inferring the inherent state of the environment under partial observability.
Deep linear networks can benignly overfit when shallow ones do
Venue: Journal JMLR 2023
Year: 2023

We bound the excess risk of interpolating deep linear networks trained using gradient flow. In a setting previously used to establish risk bounds for the minimum $\ell_2$-norm interpolant, we show that randomly initialized deep linear networks can closely approximate or even match known bounds for the minimum $\ell_2$-norm interpolant. Our analysis also reveals that interpolating deep linear models have exactly the same conditional variance as the minimum $\ell_2$-norm solution. Since the noise affects the excess risk only through the conditional variance, this implies that depth does not improve the algorithm's ability to "hide the noise". Our simulations verify that aspects of our bounds reflect typical behavior for simple data distributions. We also find that similar phenomena are seen in simulations with ReLU networks, although the situation there is more nuanced.
Scalable Computation of Causal Bounds
Venue: Journal JMLR 2023
Year: 2023

We consider the problem of computing bounds for causal queries on causal graphs with unobserved confounders and discrete valued observed variables, where identifiability does not hold. Existing non-parametric approaches for computing such bounds use linear programming (LP) formulations that quickly become intractable for existing solvers because the size of the LP grows exponentially in the number of edges in the causal graph. We show that this LP can be significantly pruned, allowing us to compute bounds for significantly larger causal inference problems compared to existing techniques. This pruning procedure allows us to compute bounds in closed form for a special class of problems, including a well-studied family of problems where multiple confounded treatments influence an outcome. We extend our pruning methodology to fractional LPs which compute bounds for causal queries which incorporate additional observations about the unit. We show that our methods provide significant runtime improvement compared to benchmarks in experiments and extend our results to the finite data setting. For causal inference without additional observations, we propose an efficient greedy heuristic that produces high quality bounds, and scales to problems that are several orders of magnitude larger than those for which the pruned LP can be solved.
Random Feature Amplification: Feature Learning and Generalization in Neural Networks
Venue: Journal JMLR 2023
Year: 2023

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.
Sparse Graph Learning from Spatiotemporal Time Series
Venue: Journal JMLR 2023
Year: 2023

Outstanding achievements of graph neural networks for spatiotemporal time series analysis show that relational constraints introduce an effective inductive bias into neural forecasting architectures. Often, however, the relational information characterizing the underlying data-generating process is unavailable and the practitioner is left with the problem of inferring from data which relational graph to use in the subsequent processing stages. We propose novel, principled - yet practical - probabilistic score-based methods that learn the relational dependencies as distributions over graphs while maximizing end-to-end the performance at task. The proposed graph learning framework is based on consolidated variance reduction techniques for Monte Carlo score-based gradient estimation, is theoretically grounded, and, as we show, effective in practice. In this paper, we focus on the time series forecasting problem and show that, by tailoring the gradient estimators to the graph learning problem, we are able to achieve state-of-the-art performance while controlling the sparsity of the learned graph and the computational scalability. We empirically assess the effectiveness of the proposed method on synthetic and real-world benchmarks, showing that the proposed solution can be used as a stand-alone graph identification procedure as well as a graph learning component of an end-to-end forecasting architecture.
Compute-Efficient Deep Learning: Algorithmic Trends and Opportunities
Venue: Journal JMLR 2023
Year: 2023

Although deep learning has made great progress in recent years, the exploding economic and environmental costs of training neural networks are becoming unsustainable. To address this problem, there has been a great deal of research on *algorithmically-efficient deep learning*, which seeks to reduce training costs not at the hardware or implementation level, but through changes in the semantics of the training program. In this paper, we present a structured and comprehensive overview of the research in this field. First, we formalize the *algorithmic speedup* problem, then we use fundamental building blocks of algorithmically efficient training to develop a taxonomy. Our taxonomy highlights commonalities of seemingly disparate methods and reveals current research gaps. Next, we present evaluation best practices to enable comprehensive, fair, and reliable comparisons of speedup techniques. To further aid research and applications, we discuss common bottlenecks in the training pipeline (illustrated via experiments) and offer taxonomic mitigation strategies for them. Finally, we highlight some unsolved research challenges and present promising future directions.
Multi-Consensus Decentralized Accelerated Gradient Descent
Venue: Journal JMLR 2023
Year: 2023

This paper considers the decentralized convex optimization problem, which has a wide range of applications in large-scale machine learning, sensor networks, and control theory. We propose novel algorithms that achieve optimal computation complexity and near optimal communication complexity. Our theoretical results give affirmative answers to the open problem on whether there exists an algorithm that can achieve a communication complexity (nearly) matching the lower bound depending on the global condition number instead of the local one. Furthermore, the linear convergence of our algorithms only depends on the strong convexity of global objective and it does \emph{not} require the local functions to be convex. The design of our methods relies on a novel integration of well-known techniques including Nesterov's acceleration, multi-consensus and gradient-tracking. Empirical studies show the outperformance of our methods for machine learning applications.
Linear Partial Monitoring for Sequential Decision Making: Algorithms, Regret Bounds and Applications
Venue: Journal JMLR 2023
Year: 2023

Partial monitoring is an expressive framework for sequential decision-making with an abundance of applications, including graph-structured and dueling bandits, dynamic pricing and transductive feedback models. We survey and extend recent results on the linear formulation of partial monitoring that naturally generalizes the standard linear bandit setting. The main result is that a single algorithm, information-directed sampling (IDS), is (nearly) worst-case rate optimal in all finite-action games. We present a simple and unified analysis of stochastic partial monitoring, and further extend the model to the contextual and kernelized setting.