Multi-Task Ranking

We study the problem of generating *diverse* candidates in the context of Multi-Objective Optimization. In many applications of machine learning such as drug discovery and material design, the goal is to generate candidates which simultaneously optimize a set of potentially conflicting objectives. Moreover, these objectives are often imperfect evaluations of some underlying property of interest, making it important to generate diverse candidates to have multiple options for expensive downstream evaluations. We propose Multi-Objective GFlowNets (MOGFNs), a novel method for generating diverse Pareto optimal solutions, based on GFlowNets. We introduce two variants of MOGFNs: MOGFN-PC, which models a family of independent sub-problems defined by a scalarization function, with reward-conditional GFlowNets, and MOGFN-AL, which solves a sequence of sub-problems defined by an acquisition function in an active learning loop. Our experiments on wide variety of synthetic and benchmark tasks demonstrate advantages of the proposed methods in terms of the Pareto performance and importantly, improved candidate diversity, which is the main contribution of this work.

We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.

Reinforcement Learning (RL) algorithms are often known for sample inefficiency and difficult generalization. Recently, Unsupervised Environment Design (UED) emerged as a new paradigm for zero-shot generalization by simultaneously learning a task distribution and agent policies on the generated tasks. This is a non-stationary process where the task distribution evolves along with agent policies; creating an instability over time. While past works demonstrated the potential of such approaches, sampling effectively from the task space remains an open challenge, bottlenecking these approaches. To this end, we introduce CLUTR: a novel unsupervised curriculum learning algorithm that decouples task representation and curriculum learning into a two-stage optimization. It first trains a recurrent variational autoencoder on randomly generated tasks to learn a latent task manifold. Next, a teacher agent creates a curriculum by maximizing a minimax REGRET-based objective on a set of latent tasks sampled from this manifold. Using the fixed-pretrained task manifold, we show that CLUTR successfully overcomes the non-stationarity problem and improves stability. Our experimental results show CLUTR outperforms PAIRED, a principled and popular UED method, in the challenging CarRacing and navigation environments: achieving 10.6X and 45% improvement in zero-shot generalization, respectively. CLUTR also performs comparably to the non-UED state-of-the-art for CarRacing, while requiring 500X fewer environment interactions. We open source our code at https://github.com/clutr/clutr.

To deal with the challenge of high cost of annotating all relevant labels for each example in multi-label learning, single-positive multi-label learning (SPMLL) has been studied in recent years, where each example is annotated with only one positive label. By adopting pseudo-label generation, i.e., assigning pseudo-label to each example by various strategies, existing methods have empirically validated that SPMLL would significantly reduce the amount of supervision with a tolerable damage in classification performance. However, there is no existing method that can provide a theoretical guarantee for learning from pseudo-label on SPMLL. In this paper, the conditions of the effectiveness of learning from pseudo-label for SPMLL are shown and the learnability of pseudo-label-based methods is proven. Furthermore, based on the theoretical guarantee of pseudo-label for SPMLL, we propose a novel SPMLL method named MIME, i.e., Mutual label enhancement for sIngle-positive Multi-label lEarning and prove that the generated pseudo-label by MIME approximately converges to the fully-supervised case. Experiments on four image datasets and five MLL datasets show the effectiveness of our methods over several existing SPMLL approaches.

Regret minimization in streaming multi-armed bandits (MABs) has been studied extensively, and recent work has shown that algorithms with $o(K)$ memory have to incur $\Omega(T^{2/3})$ regret, where $K$ and $T$ are the numbers of arms and trials. However, the previous best regret upper bound is still $O(K^{1/3} T^{2/3}\log^{1/3}(T))$, which is achieved by the simple uniform exploration algorithm. In this paper, we close this gap and complete the picture of regret minimization in single-pass streaming MABs. We first improve the regret lower bound to $\Omega(K^{1/3}T^{2/3})$ for algorithms with $o(K)$ memory. We then show that the $\log^{1/3}(T)$ factor is not necessary by designing algorithms with at most $O(\log^*(K))$-arm memory and achieve $O(K^{1/3}T^{2/3})$ expected regret based on streaming $\varepsilon$-best arm algorithms. We further tested the empirical performances of our algorithms on simulated MABs instances, where the proposed algorithms outperform the benchmark uniform exploration algorithm by a large margin and, on occasion, reduce the regret by up to 70%.

The article proposes and theoretically analyses a *computationally efficient* multi-task learning (MTL) extension of popular principal component analysis (PCA)-based supervised learning schemes. The analysis reveals that (i) by default, learning may dramatically fail by suffering from *negative transfer*, but that (ii) simple counter-measures on data labels avert negative transfer and necessarily result in improved performances. Supporting experiments on synthetic and real data benchmarks show that the proposed method achieves comparable performance with state-of-the-art MTL methods but at a *significantly reduced computational cost*.

One-shot imitation is to learn a new task from a single demonstration, yet it is a challenging problem to adopt it for complex tasks with the high domain diversity inherent in a non-stationary environment. To tackle the problem, we explore the compositionality of complex tasks, and present a novel skill-based imitation learning framework enabling one-shot imitation and zero-shot adaptation; from a single demonstration for a complex unseen task, a semantic skill sequence is inferred and then each skill in the sequence is converted into an action sequence optimized for environmental hidden dynamics that can vary over time. Specifically, we leverage a vision-language model to learn a semantic skill set from offline video datasets, where each skill is represented on the vision-language embedding space, and adapt meta-learning with dynamics inference to enable zero-shot skill adaptation. We evaluate our framework with various one-shot imitation scenarios for extended multi-stage Meta-world tasks, showing its superiority in learning complex tasks, generalizing to dynamics changes, and extending to different demonstration conditions and modalities, compared to other baselines.

This paper considers a novel application of deep AUC maximization (DAM) for multi-instance learning (MIL), in which a single class label is assigned to a bag of instances (e.g., multiple 2D slices of a CT scan for a patient). We address a neglected yet non-negligible computational challenge of MIL in the context of DAM, i.e., bag size is too large to be loaded into GPU memory for backpropagation, which is required by the standard pooling methods of MIL. To tackle this challenge, we propose variance-reduced stochastic pooling methods in the spirit of stochastic optimization by formulating the loss function over the pooled prediction as a multi-level compositional function. By synthesizing techniques from stochastic compositional optimization and non-convex min-max optimization, we propose a unified and provable muli-instance DAM (MIDAM) algorithm with stochastic smoothed-max pooling or stochastic attention-based pooling, which only samples a few instances for each bag to compute a stochastic gradient estimator and to update the model parameter. We establish a similar convergence rate of the proposed MIDAM algorithm as the state-of-the-art DAM algorithms. Our extensive experiments on conventional MIL datasets and medical datasets demonstrate the superiority of our MIDAM algorithm. The method is open-sourced at https://libauc.org/.

Multi armed bandit (MAB) algorithms have been increasingly used to complement or integrate with A/B tests and randomized clinical trials in e-commerce, healthcare, and policymaking. Recent developments incorporate possible delayed feedback. While existing MAB literature often focuses on maximizing the expected cumulative reward outcomes (or, equivalently, regret minimization), few efforts have been devoted to establish valid statistical inference approaches to quantify the uncertainty of learned policies. We attempt to fill this gap by providing a unified statistical inference framework for policy evaluation where a target policy is allowed to differ from the data collecting policy, and our framework allows delay to be associated with the treatment arms. We present an adaptively weighted estimator that on one hand incorporates the arm-dependent delaying mechanism to achieve consistency, and on the other hand mitigates the variance inflation across stages due to vanishing sampling probability. In particular, our estimator does not critically depend on the ability to estimate the unknown delay mechanism. Under appropriate conditions, we prove that our estimator converges to a normal distribution as the number of time points goes to infinity, which provides guarantees for large-sample statistical inference. We illustrate the finite-sample performance of our approach through Monte Carlo experiments.

Conditional Average Treatment Effects (CATE) estimation is one of the main challenges in causal inference with observational data. In addition to Machine Learning based-models, nonparametric estimators called meta-learners have been developed to estimate the CATE with the main advantage of not restraining the estimation to a specific supervised learning method. This task becomes, however, more complicated when the treatment is not binary as some limitations of the naive extensions emerge. This paper looks into meta-learners for estimating the heterogeneous effects of multi-valued treatments. We consider different meta-learners, and we carry out a theoretical analysis of their error upper bounds as functions of important parameters such as the number of treatment levels, showing that the naive extensions do not always provide satisfactory results. We introduce and discuss meta-learners that perform well as the number of treatments increases. We empirically confirm the strengths and weaknesses of those methods with synthetic and semi-synthetic datasets.

Multi-modal contrastive learning (MMCL) has recently garnered considerable interest due to its superior performance in visual tasks, achieved by embedding multi-modal data, such as visual-language pairs. However, there still lack theoretical understandings of how MMCL extracts useful visual representation from multi-modal pairs, and particularly, how MMCL outperforms previous approaches like self-supervised contrastive learning (SSCL). In this paper, by drawing an intrinsic connection between MMCL and asymmetric matrix factorization, we establish the first generalization guarantees of MMCL for visual downstream tasks. Based on this framework, we further unify MMCL and SSCL by showing that MMCL implicitly performs SSCL with (pseudo) positive pairs induced by text pairs. Through this unified perspective, we characterize the advantage of MMCL by showing that text pairs induce more semantically consistent and diverse positive pairs, which, according to our analysis, provably benefit downstream generalization. Inspired by this finding, we propose several methods to significantly improve the downstream performance of SSCL on ImageNet by leveraging multi-modal information. Code is available at https://github.com/PKU-ML/CLIP-Help-SimCLR.

Multi-View Reinforcement Learning (MVRL) seeks to find an optimal control for an agent given multi-view observations from various sources. Despite recent advances in multi-view learning that aim to extract the latent representation from multi-view data, it is not straightforward to apply them to control tasks, especially when the observations are temporally dependent on one another. The problem can be even more challenging if the observations are intermittently missing for a subset of views. In this paper, we introduce Fuse2Control (F2C), an information-theoretic approach to capturing the underlying state space model from the sequences of multi-view observations. We conduct an extensive set of experiments in various control tasks showing that our method is highly effective in aggregating task-relevant information across many views, that scales linearly with the number of views while retaining robustness to arbitrary missing view scenarios.

We propose to approach active learning (AL) from a novel perspective of discovering and then ranking potential support vectors by leveraging the key properties of the dual space of a sparse kernel max-margin predictor. We theoretically analyze the change of a hinge loss in the dual form and provide both the upper and lower bounds that are deeply connected to the key geometric properties induced by the dual space, which then help us identify various types of important data samples for AL. These bounds inform the design of a novel sampling strategy that leverages class-wise evidence as a key vehicle, formed through an affine combination of dual variables and kernel evaluation. We construct two distinct types of sampling functions, including discovery and ranking. The former focuses on samples with low total evidence from all classes, which signifies their potential to support exploration; the latter exploits the current decision boundary to identify the most conflicting regions for sampling, aiming to further refine the decision boundary. These two functions, which are complementary to each other, are automatically arranged into a two-phase active sampling process that starts with the discovery and then transitions to the ranking of data points to most effectively balance exploration and exploitation. Experiments on various real-world data demonstrate the state-of-the-art AL performance achieved by our model.

We consider the problem of ranking n experts based on their performances on d tasks. We make a monotonicity assumption stating that for each pair of experts, one outperforms the other on all tasks. We consider the sequential setting where in each round the learner has access to noisy evaluations of actively chosen pair of expert-task, given the information available up to the actual round. Given a confidence parameter $\delta \in (0, 1)$, we provide strategies allowing to recover the correct ranking of experts and develop a bound on the total number of queries made by our algorithm that hold with probability at least $1-\delta$. We show that our strategy is adaptive to the complexity of the problem (our bounds are instance dependent), and develop matching lower bounds up to a ploy-logarithmic factor. Finally, we adapt our strategy to the relaxed problem of best expert identification and provide numerical simulation consistent with our theoretical results

We investigate the problem of stochastic, combinatorial multi-armed bandits where the learner only has access to bandit feedback and the reward function can be non-linear. We provide a general framework for adapting discrete offline approximation algorithms into sublinear $\alpha$-regret methods that only require bandit feedback, achieving $\mathcal{O}\left(T^\frac{2}{3}\log(T)^\frac{1}{3}\right)$ expected cumulative $\alpha$-regret dependence on the horizon $T$. The framework only requires the offline algorithms to be robust to small errors in function evaluation. The adaptation procedure does not even require explicit knowledge of the offline approximation algorithm --- the offline algorithm can be used as black box subroutine. To demonstrate the utility of the proposed framework, the proposed framework is applied to multiple problems in submodular maximization, adapting approximation algorithms for cardinality and for knapsack constraints. The new CMAB algorithms for knapsack constraints outperform a full-bandit method developed for the adversarial setting in experiments with real-world data.

We study the problem of multi-task learning under user-level differential privacy, in which n users contribute data to m tasks, each involving a subset of users. One important aspect of the problem, that can significantly impact quality, is the distribution skew among tasks. Tasks that have much fewer data samples than others are more susceptible to the noise added for privacy. It is natural to ask whether algorithms can adapt to this skew to improve the overall utility. We give a systematic analysis of the problem, by studying how to optimally allocate a user's privacy budget among tasks. We propose a generic algorithm, based on an adaptive reweighting of the empirical loss, and show that in the presence of distribution skew, this gives a quantifiable improvement of excess empirical risk. Experimental studies on recommendation problems that exhibit a long tail of small tasks, demonstrate that our methods significantly improve utility, achieving the state of the art on two standard benchmarks.

Resource-constrained perception systems such as edge computing and vision-for-robotics require vision models to be both accurate and lightweight in computation and memory usage. While knowledge distillation is a proven strategy to enhance the performance of lightweight classification models, its application to structured outputs like object detection and instance segmentation remains a complicated task, due to the variability in outputs and complex internal network modules involved in the distillation process. In this paper, we propose a simple yet surprisingly effective sequential approach to knowledge distillation that progressively transfers the knowledge of a set of teacher detectors to a given lightweight student. To distill knowledge from a highly accurate but complex teacher model, we construct a sequence of teachers to help the student gradually adapt. Our progressive strategy can be easily combined with existing detection distillation mechanisms to consistently maximize student performance in various settings. To the best of our knowledge, we are the first to successfully distill knowledge from Transformer-based teacher detectors to convolution-based students, and unprecedentedly boost the performance of ResNet-50 based RetinaNet from 36.5% to 42.0% AP and Mask R-CNN from 38.2% to 42.5% AP on the MS COCO benchmark. Code available at https://github.com/Shengcao-Cao/MTPD.

Federated Learning (FL) is a distributed learning paradigm that allows multiple clients to learn a joint model by utilizing privately held data at each client. Significant research efforts have been devoted to develop advanced algorithms that deal with the situation where the data at individual clients have heterogeneous distributions. In this work, we show that data heterogeneity can be dealt from a different perspective. That is, by utilizing a certain overparameterized multi-layer neural network at each client, even the vanilla FedAvg (a.k.a. the Local SGD) algorithm can accurately optimize the training problem: When each client has a neural network with one wide layer of size $N$ (where $N$ is the number of total training samples), followed by layers of smaller widths, FedAvg converges linearly to a solution that achieves (almost) zero training loss, without requiring any assumptions on the clients' data distributions. To our knowledge, this is the first work that demonstrates such resilience to data heterogeneity for FedAvg when trained on multi-layer neural networks. Our experiments also confirm that, neural networks of large size can achieve better and more stable performance for FL problems.

We study Pareto optimality in multi-objective multi-armed bandit by providing a formulation of adversarial multi-objective multi-armed bandit and defining its Pareto regrets that can be applied to both stochastic and adversarial settings. The regrets do not rely on any scalarization functions and reflect Pareto optimality compared to scalarized regrets. We also present new algorithms assuming both with and without prior information of the multi-objective multi-armed bandit setting. The algorithms are shown optimal in adversarial settings and nearly optimal up to a logarithmic factor in stochastic settings simultaneously by our established upper bounds and lower bounds on Pareto regrets. Moreover, the lower bound analyses show that the new regrets are consistent with the existing Pareto regret for stochastic settings and extend an adversarial attack mechanism from bandit to the multi-objective one.

Bayesian optimization is a popular method for sample efficient multi-objective optimization. However, existing Bayesian optimization techniques fail to effectively exploit common and often-neglected problem structure such as decoupled evaluations, where objectives can be queried independently from one another and each may consume different resources, or multi-fidelity evaluations, where lower fidelity-proxies of the objectives can be evaluated at lower cost. In this work, we propose a general one-step lookahead acquisition function based on the Knowledge Gradient that addresses the complex question of what to evaluate when and at which design points in a principled Bayesian decision-theoretic fashion. Hence, our approach naturally addresses decoupled, multi-fidelity, and standard multi-objective optimization settings in a unified Bayesian decision making framework. By construction, our method is the one-step Bayes-optimal policy for hypervolume maximization. Empirically, we demonstrate that our method improves sample efficiency in a wide variety of synthetic and real-world problems. Furthermore, we show that our method is general-purpose and yields competitive performance in standard (potentially noisy) multi-objective optimization.