OpenRaiser/Intern-Atlas huggingface dataset:
Nonstochastic Bandits with Composite Anonymous Feedback
Venue: Journal JMLR 2022
Year: 2022

We investigate a nonstochastic bandit setting in which the loss of an action is not immediately charged to the player, but rather spread over the subsequent rounds in an adversarial way. The instantaneous loss observed by the player at the end of each round is then a sum of many loss components of previously played actions. This setting encompasses as a special case the easier task of bandits with delayed feedback, a well-studied framework where the player observes the delayed losses individually. Our first contribution is a general reduction transforming a standard bandit algorithm into one that can operate in the harder setting: We bound the regret of the transformed algorithm in terms of the stability and regret of the original algorithm. Then, we show that the transformation of a suitably tuned FTRL with Tsallis entropy has a regret of order $\sqrt{(d+1)KT}$, where $d$ is the maximum delay, $K$ is the number of arms, and $T$ is the time horizon. Finally, we show that our results cannot be improved in general by exhibiting a matching (up to a log factor) lower bound on the regret of any algorithm operating in this setting.
Learning Operators with Coupled Attention
Venue: Journal JMLR 2022
Year: 2022

Supervised operator learning is an emerging machine learning paradigm with applications to modeling the evolution of spatio-temporal dynamical systems and approximating general black-box relationships between functional data. We propose a novel operator learning method, LOCA (Learning Operators with Coupled Attention), motivated from the recent success of the attention mechanism. In our architecture, the input functions are mapped to a finite set of features which are then averaged with attention weights that depend on the output query locations. By coupling these attention weights together with an integral transform, LOCA is able to explicitly learn correlations in the target output functions, enabling us to approximate nonlinear operators even when the number of output function in the training set measurements is very small. Our formulation is accompanied by rigorous approximation theoretic guarantees on the universal expressiveness of the proposed model. Empirically, we evaluate the performance of LOCA on several operator learning scenarios involving systems governed by ordinary and partial differential equations, as well as a black-box climate prediction problem. Through these scenarios we demonstrate state of the art accuracy, robustness with respect to noisy input data, and a consistently small spread of errors over testing data sets, even for out-of-distribution prediction tasks.
d3rlpy: An Offline Deep Reinforcement Learning Library
Venue: Journal JMLR 2022
Year: 2022

In this paper, we introduce d3rlpy, an open-sourced offline deep reinforcement learning (RL) library for Python. d3rlpy supports a set of offline deep RL algorithms as well as off-policy online algorithms via a fully documented plug-and-play API. To address a reproducibility issue, we conduct a large-scale benchmark with D4RL and Atari 2600 dataset to ensure implementation quality and provide experimental scripts and full tables of results. The d3rlpy source code can be found on GitHub: \url{https://github.com/takuseno/d3rlpy}.
Deepchecks: A Library for Testing and Validating Machine Learning Models and Data
Venue: Journal JMLR 2022
Year: 2022

This paper presents Deepchecks, a Python library for comprehensively validating machine learning models and data. Our goal is to provide an easy-to-use library comprising of many checks related to various types of issues, such as model predictive performance, data integrity, data distribution mismatches, and more. The package is distributed under the GNU Affero General Public License (AGPL) and relies on core libraries from the scientific Python ecosystem: scikit-learn, PyTorch, NumPy, pandas, and SciPy. Source code, documentation, examples, and an extensive user guide can be found at \url{https://github.com/deepchecks/deepchecks} and \url{https://docs.deepchecks.com/}.
Smooth Robust Tensor Completion for Background/Foreground Separation with Missing Pixels: Novel Algorithm with Convergence Guarantee
Venue: Journal JMLR 2022
Year: 2022

The objective of this study is to address the problem of background/foreground separation with missing pixels by combining the video acquisition, video recovery, background/foreground separation into a single framework. To achieve this, a smooth robust tensor completion (SRTC) model is proposed to recover the data and decompose it into the static background and smooth foreground, respectively. Specifically, the static background is modeled by the low-rank tucker decomposition and the smooth foreground (moving objects) is modeled by the spatiotemporal continuity, which is enforced by the total variation regularization. An efficient algorithm based on tensor proximal alternating minimization (tenPAM) is implemented to solve the proposed model with global convergence guarantee under very mild conditions. Extensive experiments on real data demonstrate that the proposed method significantly outperforms the state-of-the-art approaches for background/foreground separation with missing pixels.
Self-Healing Robust Neural Networks via Closed-Loop Control
Venue: Journal JMLR 2022
Year: 2022

Despite the wide applications of neural networks, there have been increasing concerns about their vulnerability issue. While numerous attack and defense techniques have been developed, this work investigates the robustness issue from a new angle: can we design a self-healing neural network that can automatically detect and fix the vulnerability issue by itself? A typical self-healing mechanism is the immune system of a human body. This biology-inspired idea has been used in many engineering designs but is rarely investigated in deep learning. This paper considers the post-training self-healing of a neural network, and proposes a closed-loop control formulation to automatically detect and fix the errors caused by various attacks or perturbations. We provide a margin-based analysis to explain how this formulation can improve the robustness of a classifier. To speed up the inference of the proposed self-healing network, we solve the control problem via improving the Pontryagin Maximum Principle-based solver. Lastly, we present an error estimation of the proposed framework for neural networks with nonlinear activation functions. We validate the performance on several network architectures against various perturbations. Since the self-healing method does not need a-priori information about data perturbations/attacks, it can handle a broad class of unforeseen perturbations.
Information-Theoretic Characterization of the Generalization Error for Iterative Semi-Supervised Learning
Venue: Journal JMLR 2022
Year: 2022

Using information-theoretic principles, we consider the generalization error (gen-error) of iterative semi-supervised learning (SSL) algorithms that iteratively generate pseudo-labels for a large amount of unlabelled data to progressively refine the model parameters. In contrast to most previous works that {\em bound} the gen-error, we provide an {\em exact} expression for the gen-error and particularize it to the binary Gaussian mixture model. Our theoretical results suggest that when the class conditional variances are not too large, the gen-error decreases with the number of iterations, but quickly saturates. On the flip side, if the class conditional variances (and so amount of overlap between the classes) are large, the gen-error increases with the number of iterations. To mitigate this undesirable effect, we show that regularization can reduce the gen-error. The theoretical results are corroborated by extensive experiments on the MNIST and CIFAR datasets in which we notice that for easy-to-distinguish classes, the gen-error improves after several pseudo-labelling iterations, but saturates afterwards, and for more difficult-to-distinguish classes, regularization improves the generalization performance.
ReservoirComputing.jl: An Efficient and Modular Library for Reservoir Computing Models
Venue: Journal JMLR 2022
Year: 2022

We introduce ReservoirComputing.jl, an open source Julia library for reservoir computing models. The software offers a great number of algorithms presented in the literature, and allows to expand on them with both internal and external tools in a simple way. The implementation is highly modular, fast and comes with a comprehensive documentation, which includes reproduced experiments from literature. The code and documentation are hosted on Github under an MIT license https://github.com/SciML/ReservoirComputing.jl.
Reinforcement Learning for Joint Optimization of Multiple Rewards
Venue: Journal JMLR 2023
Year: 2023

Finding optimal policies which maximize long term rewards of Markov Decision Processes requires the use of dynamic programming and backward induction to solve the Bellman optimality equation. However, many real-world problems require optimization of an objective that is non-linear in cumulative rewards for which dynamic programming cannot be applied directly. For example, in a resource allocation problem, one of the objectives is to maximize long-term fairness among the users. We notice that when an agent aim to optimize some function of the sum of rewards is considered, the problem loses its Markov nature. This paper addresses and formalizes the problem of optimizing a non-linear function of the long term average of rewards. We propose model-based and model-free algorithms to learn the policy, where the model-based policy is shown to achieve a regret of $\Tilde{O}\left(LKDS\sqrt{\frac{A}{T}}\right)$ for $K$ objectives combined with a concave $L$-Lipschitz function. Further, using the fairness in cellular base-station scheduling, and queueing system scheduling as examples, the proposed algorithm is shown to significantly outperform the conventional RL approaches.
Model-Based Multi-Agent RL in Zero-Sum Markov Games with Near-Optimal Sample Complexity
Venue: Journal JMLR 2023
Year: 2023

Model-based reinforcement learning (RL), which finds an optimal policy using an empirical model, has long been recognized as one of the corner stones of RL. It is especially suitable for multi-agent RL (MARL), as it naturally decouples the learning and the planning phases, and avoids the non-stationarity problem when all agents are improving their policies simultaneously using samples. Though intuitive and widely-used, the sample complexity of model-based MARL algorithms has not been fully investigated. In this paper, our goal is to address the fundamental question about its sample complexity. We study arguably the most basic MARL setting: two-player discounted zero-sum Markov games, given only access to a generative model. We show that model-based MARL achieves a sample complexity of $\tilde O(|S||A||B|(1-γ)^{-3}ε^{-2})$ for finding the Nash equilibrium (NE) value up to some $ε$ error, and the $ε$-NE policies with a smooth planning oracle, where $γ$ is the discount factor, and $S,A,B$ denote the state space, and the action spaces for the two agents. We further show that such a sample bound is minimax-optimal (up to logarithmic factors) if the algorithm is reward-agnostic, where the algorithm queries state transition samples without reward knowledge, by establishing a matching lower bound. This is in contrast to the usual reward-aware setting, with a $\tildeΩ(|S|(|A|+|B|)(1-γ)^{-3}ε^{-2})$ lower bound, where this model-based approach is near-optimal with only a gap on the $|A|,|B|$ dependence. Our results not only demonstrate the sample-efficiency of this basic model-based approach in MARL, but also elaborate on the fundamental tradeoff between its power (easily handling the more challenging reward-agnostic case) and limitation (less adaptive and suboptimal in $|A|,|B|$), particularly arises in the multi-agent context.
Necessary and Sufficient Conditions for Inverse Reinforcement Learning of Bayesian Stopping Time Problems
Venue: Journal JMLR 2023
Year: 2023

This paper presents an inverse reinforcement learning~(IRL) framework for Bayesian stopping time problems. By observing the actions of a Bayesian decision maker, we provide a necessary and sufficient condition to identify if these actions are consistent with optimizing a cost function. In a Bayesian (partially observed) setting, the inverse learner can at best identify optimality wrt the observed strategies. Our IRL algorithm identifies optimality and then constructs set-valued estimates of the cost function.To achieve this IRL objective, we use novel ideas from Bayesian revealed preferences stemming from microeconomics. We illustrate the proposed IRL scheme using two important examples of stopping time problems, namely, sequential hypothesis testing and Bayesian search. As a real-world example, we illustrate using a YouTube dataset comprising metadata from 190000 videos how the proposed IRL method predicts user engagement in online multimedia platforms with high accuracy. Finally, for finite datasets, we propose an IRL detection algorithm and give finite sample bounds on its error probabilities.
F2A2: Flexible Fully-decentralized Approximate Actor-critic for Cooperative Multi-agent Reinforcement Learning
Venue: Journal JMLR 2023
Year: 2023

Traditional centralized multi-agent reinforcement learning (MARL) algorithms are sometimes unpractical in complicated applications, due to non-interactivity between agents, curse of dimensionality and computation complexity. Hence, several decentralized MARL algorithms are motivated. However, existing decentralized methods only handle the fully cooperative setting where massive information needs to be transmitted in training. The block coordinate gradient descent scheme they used for successive independent actor and critic steps can simplify the calculation, but it causes serious bias. In this paper, we propose a flexible fully decentralized actor-critic MARL framework, which can combine most of actor-critic methods, and handle large-scale general cooperative multi-agent setting. A primal-dual hybrid gradient descent type algorithm framework is designed to learn individual agents separately for decentralization. From the perspective of each agent, policy improvement and value evaluation are jointly optimized, which can stabilize multi-agent policy learning. Furthermore, our framework can achieve scalability and stability for large-scale environment and reduce information transmission, by the parameter sharing mechanism and a novel modeling-other-agents methods based on theory-of-mind and online supervised learning. Sufficient experiments in cooperative Multi-agent Particle Environment and StarCraft II show that our decentralized MARL instantiation algorithms perform competitively against conventional centralized and decentralized methods.
Learning to Rank under Multinomial Logit Choice
Venue: Journal JMLR 2023
Year: 2023

Learning the optimal ordering of content is an important challenge in website design. The learning to rank (LTR) framework models this problem as a sequential problem of selecting lists of content and observing where users decide to click. Most previous work on LTR assumes that the user considers each item in the list in isolation, and makes binary choices to click or not on each. We introduce a multinomial logit (MNL) choice model to the LTR framework, which captures the behaviour of users who consider the ordered list of items as a whole and make a single choice among all the items and a no-click option. Under the MNL model, the user favours items which are either inherently more attractive, or placed in a preferable position within the list. We propose upper confidence bound (UCB) algorithms to minimise regret in two settings - where the position dependent parameters are known, and unknown. We present theoretical analysis leading to an $Ω(\sqrt{JT})$ lower bound for the problem, an $\tilde{O}(\sqrt{JT})$ upper bound on regret of the UCB algorithm in the known-parameter setting, and an $\tilde{O}(K^2\sqrt{JT})$ upper bound on regret, the first, in the more challenging unknown-position-parameter setting. Our analyses are based on tight new concentration results for Geometric random variables, and novel functional inequalities for maximum likelihood estimators computed on discrete data.
Graph Clustering with Graph Neural Networks
Venue: Journal JMLR 2023
Year: 2023

Graph Neural Networks (GNNs) have achieved state-of-the-art results on many graph analysis tasks such as node classification and link prediction. However, important unsupervised problems on graphs, such as graph clustering, have proved more resistant to advances in GNNs. Graph clustering has the same overall goal as node pooling in GNNs - does this mean that GNN pooling methods do a good job at clustering graphs? Surprisingly, the answer is no - current GNN pooling methods often fail to recover the cluster structure in cases where simple baselines, such as k-means applied on learned representations, work well. We investigate further by carefully designing a set of experiments to study different signal-to-noise scenarios both in graph structure and attribute data. To address these methods' poor performance in clustering, we introduce Deep Modularity Networks (DMoN), an unsupervised pooling method inspired by the modularity measure of clustering quality, and show how it tackles recovery of the challenging clustering structure of real-world graphs. Similarly, on real-world data, we show that DMoN produces high quality clusters which correlate strongly with ground truth labels, achieving state-of-the-art results with over 40% improvement over other pooling methods across different metrics.
Extending Adversarial Attacks to Produce Adversarial Class Probability Distributions
Venue: Journal JMLR 2023
Year: 2023

Despite the remarkable performance and generalization levels of deep learning models in a wide range of artificial intelligence tasks, it has been demonstrated that these models can be easily fooled by the addition of imperceptible yet malicious perturbations to natural inputs. These altered inputs are known in the literature as adversarial examples. In this paper, we propose a novel probabilistic framework to generalize and extend adversarial attacks in order to produce a desired probability distribution for the classes when we apply the attack method to a large number of inputs. This novel attack paradigm provides the adversary with greater control over the target model, thereby exposing, in a wide range of scenarios, threats against deep learning models that cannot be conducted by the conventional paradigms. We introduce four different strategies to efficiently generate such attacks, and illustrate our approach by extending multiple adversarial attack algorithms. We also experimentally validate our approach for the spoken command classification task and the Tweet emotion classification task, two exemplary machine learning problems in the audio and text domain, respectively. Our results demonstrate that we can closely approximate any probability distribution for the classes while maintaining a high fooling rate and even prevent the attacks from being detected by label-shift detection methods.
On the Complexity of SHAP-Score-Based Explanations: Tractability via Knowledge Compilation and Non-Approximability Results
Venue: Journal JMLR 2023
Year: 2023

In Machine Learning, the $\mathsf{SHAP}$-score is a version of the Shapley value that is used to explain the result of a learned model on a specific entity by assigning a score to every feature. While in general computing Shapley values is an intractable problem, we prove a strong positive result stating that the $\mathsf{SHAP}$-score can be computed in polynomial time over deterministic and decomposable Boolean circuits. Such circuits are studied in the field of Knowledge Compilation and generalize a wide range of Boolean circuits and binary decision diagrams classes, including binary decision trees and Ordered Binary Decision Diagrams (OBDDs). We also establish the computational limits of the SHAP-score by observing that computing it over a class of Boolean models is always polynomially as hard as the model counting problem for that class. This implies that both determinism and decomposability are essential properties for the circuits that we consider. It also implies that computing $\mathsf{SHAP}$-scores is intractable as well over the class of propositional formulas in DNF. Based on this negative result, we look for the existence of fully-polynomial randomized approximation schemes (FPRAS) for computing $\mathsf{SHAP}$-scores over such class. In contrast to the model counting problem for DNF formulas, which admits an FPRAS, we prove that no such FPRAS exists for the computation of $\mathsf{SHAP}$-scores. Surprisingly, this negative result holds even for the class of monotone formulas in DNF. These techniques can be further extended to prove another strong negative result: Under widely believed complexity assumptions, there is no polynomial-time algorithm that checks, given a monotone DNF formula $φ$ and features $x,y$, whether the $\mathsf{SHAP}$-score of $x$ in $φ$ is smaller than the $\mathsf{SHAP}$-score of $y$ in $φ$.
Factor Graph Neural Networks
Venue: Journal JMLR 2023
Year: 2023

In recent years, we have witnessed a surge of Graph Neural Networks (GNNs), most of which can learn powerful representations in an end-to-end fashion with great success in many real-world applications. They have resemblance to Probabilistic Graphical Models (PGMs), but break free from some limitations of PGMs. By aiming to provide expressive methods for representation learning instead of computing marginals or most likely configurations, GNNs provide flexibility in the choice of information flowing rules while maintaining good performance. Despite their success and inspirations, they lack efficient ways to represent and learn higher-order relations among variables/nodes. More expressive higher-order GNNs which operate on k-tuples of nodes need increased computational resources in order to process higher-order tensors. We propose Factor Graph Neural Networks (FGNNs) to effectively capture higher-order relations for inference and learning. To do so, we first derive an efficient approximate Sum-Product loopy belief propagation inference algorithm for discrete higher-order PGMs. We then neuralize the novel message passing scheme into a Factor Graph Neural Network (FGNN) module by allowing richer representations of the message update rules; this facilitates both efficient inference and powerful end-to-end learning. We further show that with a suitable choice of message aggregation operators, our FGNN is also able to represent Max-Product belief propagation, providing a single family of architecture that can represent both Max and Sum-Product loopy belief propagation. Our extensive experimental evaluation on synthetic as well as real datasets demonstrates the potential of the proposed model.