ICML 2023 Papers

Deep ensembles (DE) have been successful in improving model performance by learning diverse members via the stochasticity of random initialization. While recent works have attempted to promote further diversity in DE via hyperparameters or regularizing loss functions, these methods primarily still rely on a stochastic approach to explore the hypothesis space. In this work, we present Multi-Symmetry Ensembles (MSE), a framework for constructing diverse ensembles by capturing the multiplicity of hypotheses along symmetry axes, which explore the hypothesis space beyond stochastic perturbations of model weights and hyperparameters. We leverage recent advances in contrastive representation learning to create models that separately capture opposing hypotheses of invariant and equivariant functional classes and present a simple ensembling approach to efficiently combine appropriate hypotheses for a given task. We show that MSE effectively captures the multiplicity of conflicting hypotheses that is often required in large, diverse datasets like ImageNet. As a result of their inherent diversity, MSE improves classification performance, uncertainty quantification, and generalization across a series of transfer tasks. Our code is available at https://github.com/clott3/multi-sym-ensem

Multi-task learning has the potential to improve generalization by maximizing positive transfer between tasks while reducing task interference. Fully achieving this potential is hindered by manually designed architectures that remain static throughout training. On the contrary, learning in the brain occurs through structural changes that are in tandem with changes in synaptic strength. Thus, we propose *Multi-Task Structural Learning (MTSL)* that simultaneously learns the multi-task architecture and its parameters. MTSL begins with an identical single-task network for each task and alternates between a task-learning phase and a structural-learning phase. In the task learning phase, each network specializes in the corresponding task. In each of the structural learning phases, starting from the earliest layer, locally similar task layers first transfer their knowledge to a newly created group layer before being removed. MTSL then uses the group layer in place of the corresponding removed task layers and moves on to the next layers. Our empirical results show that MTSL achieves competitive generalization with various baselines and improves robustness to out-of-distribution data.

Competitions for shareable and limited resources have long been studied with strategic agents. In reality, agents often have to learn and maximize the rewards of the resources at the same time. To design an individualized competing policy, we model the competition between agents in a novel multi-player multi-armed bandit (MPMAB) setting where players are selfish and aim to maximize their own rewards. In addition, when several players pull the same arm, we assume that these players averagely share the arms' rewards by expectation. Under this setting, we first analyze the Nash equilibrium when arms' rewards are known. Subsequently, we propose a novel Selfish MPMAB with Averaging Allocation (SMAA) approach based on the equilibrium. We theoretically demonstrate that SMAA could achieve a good regret guarantee for each player when all players follow the algorithm. Additionally, we establish that no single selfish player can significantly increase their rewards through deviation, nor can they detrimentally affect other players' rewards without incurring substantial losses for themselves. We finally validate the effectiveness of the method in extensive synthetic experiments.

We study the design of loss functions for click-through rates (CTR) to optimize (social) welfare in advertising auctions. Existing works either only focus on CTR predictions without consideration of business objectives (e.g., welfare) in auctions or assume that the distribution over the participants' expected cost-per-impression (eCPM) is known a priori, then use various additional assumptions on the parametric form of the distribution to derive loss functions for predicting CTRs. In this work, we bring back the welfare objectives of ad auctions into CTR predictions and propose a novel weighted rankloss to train the CTR model. Compared to existing literature, our approach provides a provable guarantee on welfare but without assumptions on the eCPMs' distribution while also avoiding the intractability of naively applying existing learning-to-rank methods. Further, we propose a theoretically justifiable technique for calibrating the losses using labels generated from a teacher network, only assuming that the teacher network has bounded $\ell_2$ generalization error. Finally, we demonstrate the advantages of the proposed loss on synthetic and real-world data.

Multi-channel imaging data is a prevalent data format in scientific fields such as astronomy and biology. The structured information and the high dimensionality of these 3-D tensor data makes the analysis an intriguing but challenging topic for statisticians and practitioners. The low-rank scalar-on-tensor regression model, in particular, has received widespread attention and has been re-formulated as a tensor Gaussian Process (Tensor-GP) model with multi-linear kernel in Yu et al. (2018). In this paper, we extend the Tensor-GP model by introducing an integrative dimensionality reduction technique, called tensor contraction, with a Tensor-GP for a scalar-on-tensor regression task with multi-channel imaging data. This is motivated by the solar flare forecasting problem with high dimensional multi-channel imaging data. We first estimate a latent, reduced-size tensor for each data tensor and then apply a multi-linear Tensor-GP on the latent tensor data for prediction. We introduce an anisotropic total-variation regularization when conducting the tensor contraction to obtain a sparse and smooth latent tensor. We then propose an alternating proximal gradient descent algorithm for estimation. We validate our approach via extensive simulation studies and applying it to the solar flare forecasting problem.

Reinforcement learning (RL) problems can be challenging without well-shaped rewards. Prior work on provably efficient RL methods generally proposes to address this issue with dedicated exploration strategies. However, another way to tackle this challenge is to reformulate it as a multi-task RL problem, where the task space contains not only the challenging task of interest but also easier tasks that implicitly function as a curriculum. Such a reformulation opens up the possibility of running existing multi-task RL methods as a more efficient alternative to solving a single challenging task from scratch. In this work, we provide a theoretical framework that reformulates a single-task RL problem as a multi-task RL problem defined by a curriculum. Under mild regularity conditions on the curriculum, we show that sequentially solving each task in the multi-task RL problem is more computationally efficient than solving the original single-task problem, without any explicit exploration bonuses or other exploration strategies. We also show that our theoretical insights can be translated into an effective practical learning algorithm that can accelerate curriculum learning on simulated robotic tasks.

Despite the recent success of representation learning in sequential decision making, the study of the pure exploration scenario (i.e., identify the best option and minimize the sample complexity) is still limited. In this paper, we study multi-task representation learning for best arm identification in linear bandit (RepBAI-LB) and best policy identification in contextual linear bandit (RepBPI-CLB), two popular pure exploration settings with wide applications, e.g., clinical trials and web content optimization. In these two problems, all tasks share a common low-dimensional linear representation, and our goal is to leverage this feature to accelerate the best arm (policy) identification process for all tasks. For these problems, we design computationally and sample efficient algorithms DouExpDes and C-DouExpDes, which perform double experimental designs to plan optimal sample allocations for learning the global representation. We show that by learning the common representation among tasks, our sample complexity is significantly better than that of the native approach which solves tasks independently. To the best of our knowledge, this is the first work to demonstrate the benefits of representation learning for multi-task pure exploration.

Crowdsourcing has emerged as an effective platform for labeling large amounts of data in a cost- and time-efficient manner. Most previous work has focused on designing an efficient algorithm to recover only the ground-truth labels of the data. In this paper, we consider multi-choice crowdsourcing tasks with the goal of recovering not only the ground truth, but also the most confusing answer and the confusion probability. The most confusing answer provides useful information about the task by revealing the most plausible answer other than the ground truth and how plausible it is. To theoretically analyze such scenarios, we propose a model in which there are the top two plausible answers for each task, distinguished from the rest of the choices. Task difficulty is quantified by the probability of confusion between the top two, and worker reliability is quantified by the probability of giving an answer among the top two. Under this model, we propose a two-stage inference algorithm to infer both the top two answers and the confusion probability. We show that our algorithm achieves the minimax optimal convergence rate. We conduct both synthetic and real data experiments and demonstrate that our algorithm outperforms other recent algorithms. We also show the applicability of our algorithms in inferring the difficulty of tasks and in training neural networks with top-two soft labels.

We investigate the problem of best arm identification in Multi-Agent Multi-Armed Bandits (MAMABs) where the rewards are defined through a factor graph. The objective is to find an optimal global action with a prescribed level of confidence and minimal sample complexity. We derive a tight instance-specific lower bound of the sample complexity and characterize the corresponding optimal sampling strategy. Unfortunately, this bound is obtained by solving a combinatorial optimization problem with a number of variables and constraints exponentially growing with the number of agents. We leverage Mean Field (MF) techniques to obtain, in a computationally efficient manner, an approximation of the lower bound. The approximation scales at most as $\rho K^d$ (where $\rho$, $K$, and $d$ denote the number of factors in the graph, the number of possible actions per agent, and the maximal degree of the factor graph). We devise MF-TaS (Mean-Field-Track-and-Stop), an algorithm whose sample complexity provably matches our approximated lower bound. We illustrate the performance of MF-TaS numerically using both synthetic and real-world experiments (e.g., to solve the antenna tilt optimization problem in radio communication networks).

We introduce MABe22, a large-scale, multi-agent video and trajectory benchmark to assess the quality of learned behavior representations. This dataset is collected from a variety of biology experiments, and includes triplets of interacting mice (4.7 million frames video+pose tracking data, 10 million frames pose only), symbiotic beetle-ant interactions (10 million frames video data), and groups of interacting flies (4.4 million frames of pose tracking data). Accompanying these data, we introduce a panel of real-life downstream analysis tasks to assess the quality of learned representations by evaluating how well they preserve information about the experimental conditions (e.g. strain, time of day, optogenetic stimulation) and animal behavior. We test multiple state-of-the-art self-supervised video and trajectory representation learning methods to demonstrate the use of our benchmark, revealing that methods developed using human action datasets do not fully translate to animal datasets. We hope that our benchmark and dataset encourage a broader exploration of behavior representation learning methods across species and settings.

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose the first multi-domain, multi-task language model that can solve a wide range of tasks in both the chemical and natural language domains. Our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.

Population Based Training (PBT) is an efficient hyperparameter optimization algorithm. PBT is a single-objective algorithm, but many real-world hyperparameter optimization problems involve two or more conflicting objectives. In this work, we therefore introduce a multi-objective version of PBT, MO-PBT. Our experiments on diverse multi-objective hyperparameter optimization problems (Precision/Recall, Accuracy/Fairness, Accuracy/Adversarial Robustness) show that MO-PBT outperforms random search, single-objective PBT, and the state-of-the-art multi-objective hyperparameter optimization algorithm MO-ASHA.

A number of methods have been proposed for causal effect estimation, yet few have demonstrated efficacy in handling data with complex structures, such as images. To fill this gap, we propose Causal Multi-task Deep Ensemble (CMDE), a novel framework that learns both shared and group-specific information from the study population. We provide proofs demonstrating equivalency of CDME to a multi-task Gaussian process (GP) with a coregionalization kernel a priori. Compared to multi-task GP, CMDE efficiently handles high-dimensional and multi-modal covariates and provides pointwise uncertainty estimates of causal effects. We evaluate our method across various types of datasets and tasks and find that CMDE outperforms state-of-the-art methods on a majority of these tasks.