NeurIPS 2021 Papers

When facing uncertainty, decision-makers want predictions they can trust. A machine learning provider can convey confidence to decision-makers by guaranteeing their predictions are distribution calibrated--- amongst the inputs that receive a predicted vector of class probabilities q, the actual distribution over classes is given by q. For multi-class prediction problems, however, directly optimizing predictions under distribution calibration tends to be infeasible, requiring sample complexity that grows exponentially in the number of classes C. In this work, we introduce a new notion---decision calibration---that requires the predicted distribution and true distribution over classes to be ``indistinguishable'' to downstream decision-makers. This perspective gives a new characterization of distribution calibration: a predictor is distribution calibrated if and only if it is decision calibrated with respect to all decision-makers. Our main result shows that under a mild restriction, unlike distribution calibration, decision calibration is actually feasible. We design a recalibration algorithm that provably achieves decision calibration efficiently, provided that the decision-makers have a bounded number of actions (e.g., polynomial in C). We validate our recalibration algorithm empirically: compared to existing methods, decision calibration improves decision-making on skin lesion and ImageNet classification with modern neural network predictors.

Conditional image synthesis aims to create an image according to some multi-modal guidance in the forms of textual descriptions, reference images, and image blocks to preserve, as well as their combinations. In this paper, instead of investigating these control signals separately, we propose a new two-stage architecture, UFC-BERT, to unify any number of multi-modal controls. In UFC-BERT, both the diverse control signals and the synthesized image are uniformly represented as a sequence of discrete tokens to be processed by Transformer. Different from existing two-stage autoregressive approaches such as DALL-E and VQGAN, UFC-BERT adopts non-autoregressive generation (NAR) at the second stage to enhance the holistic consistency of the synthesized image, to support preserving specified image blocks, and to improve the synthesis speed. Further, we design a progressive algorithm that iteratively improves the non-autoregressively generated image, with the help of two estimators developed for evaluating the compliance with the controls and evaluating the fidelity of the synthesized image, respectively. Extensive experiments on a newly collected large-scale clothing dataset M2C-Fashion and a facial dataset Multi-Modal CelebA-HQ verify that UFC-BERT can synthesize high-fidelity images that comply with flexible multi-modal controls.

This paper considers two fundamental sequential decision-making problems: the problem of prediction with expert advice and the multi-armed bandit problem. We focus on stochastic regimes in which an adversary may corrupt losses, and we investigate what level of robustness can be achieved against adversarial corruption. The main contribution of this paper is to show that optimal robustness can be expressed by a square-root dependency on the amount of corruption. More precisely, we show that two classes of algorithms, anytime Hedge with decreasing learning rate and algorithms with second-order regret bounds, achieve $O( \frac{\log N}{\Delta} + \sqrt{ \frac{C \log N }{\Delta} } )$-regret, where $N, \Delta$, and $C$ represent the number of experts, the gap parameter, and the corruption level, respectively. We further provide a matching lower bound, which means that this regret bound is tight up to a constant factor. For the multi-armed bandit problem, we also provide a nearly-tight lower bound up to a logarithmic factor.

We present Coordinated Proximal Policy Optimization (CoPPO), an algorithm that extends the original Proximal Policy Optimization (PPO) to the multi-agent setting. The key idea lies in the coordinated adaptation of step size during the policy update process among multiple agents. We prove the monotonicity of policy improvement when optimizing a theoretically-grounded joint objective, and derive a simplified optimization objective based on a set of approximations. We then interpret that such an objective in CoPPO can achieve dynamic credit assignment among agents, thereby alleviating the high variance issue during the concurrent update of agent policies. Finally, we demonstrate that CoPPO outperforms several strong baselines and is competitive with the latest multi-agent PPO method (i.e. MAPPO) under typical multi-agent settings, including cooperative matrix games and the StarCraft II micromanagement tasks.

We present and analyze an algorithm for optimizing smooth and convex or strongly convex objectives using minibatch stochastic gradient estimates. The algorithm is optimal with respect to its dependence on both the minibatch size and minimum expected loss simultaneously. This improves over the optimal method of Lan, which is insensitive to the minimum expected loss; over the optimistic acceleration of Cotter et al., which has suboptimal dependence on the minibatch size; and over the algorithm of Liu and Belkin, which is limited to least squares problems and is also similarly suboptimal. Applied to interpolation learning, the improvement over Cotter et al.~and Liu and Belkin translates to a linear, rather than square-root, parallelization speedup.

We present a novel approach to unsupervised learning for video object segmentation (VOS). Unlike previous work, our formulation allows to learn dense feature representations directly in a fully convolutional regime. We rely on uniform grid sampling to extract a set of anchors and train our model to disambiguate between them on both inter- and intra-video levels. However, a naive scheme to train such a model results in a degenerate solution. We propose to prevent this with a simple regularisation scheme, accommodating the equivariance property of the segmentation task to similarity transformations. Our training objective admits efficient implementation and exhibits fast training convergence. On established VOS benchmarks, our approach exceeds the segmentation accuracy of previous work despite using significantly less training data and compute power.

We investigate a low-rank model of quadratic classification inspired by previous work on factorization machines, polynomial networks, and capsule-based architectures for visual object recognition. The model is parameterized by a pair of affine transformations, and it classifies examples by comparing the magnitudes of vectors that these transformations produce. The model is also over-parameterized in the sense that different pairs of affine transformations can describe classifiers with the same decision boundary and confidence scores. We show that such pairs arise from discrete and continuous symmetries of the model’s parameter space: in particular, the latter define symmetry groups of rotations and Lorentz transformations, and we use these group structures to devise appropriately invariant procedures for model alignment and averaging. We also leverage the form of the model’s decision boundary to derive simple margin-based updates for online learning. Here we explore a strategy of passive-aggressive learning: for each example, we compute the minimum change in parameters that is required to predict its correct label with high confidence. We derive these updates by solving a quadratically constrained quadratic program (QCQP); interestingly, this QCQP is nonconvex but tractable, and it can be solved efficiently by elementary methods. We highlight the conceptual and practical contributions of this approach. Conceptually, we show that it extends the paradigm of passive-aggressive learning to a larger family of nonlinear models for classification. Practically, we show that these models perform well on large-scale problems in online learning.

We present a novel neural network Maximum Mean Discrepancy (MMD) statistic by identifying a new connection between neural tangent kernel (NTK) and MMD. This connection enables us to develop a computationally efficient and memory-efficient approach to compute the MMD statistic and perform NTK based two-sample tests towards addressing the long-standing challenge of memory and computational complexity of the MMD statistic, which is essential for online implementation to assimilating new samples. Theoretically, such a connection allows us to understand the NTK test statistic properties, such as the Type-I error and testing power for performing the two-sample test, by adapting existing theories for kernel MMD. Numerical experiments on synthetic and real-world datasets validate the theory and demonstrate the effectiveness of the proposed NTK-MMD statistic.

We consider a stochastic multi-armed bandit (MAB) problem with delayed impact of actions. In our setting, actions taken in the past impact the arm rewards in the subsequent future. This delayed impact of actions is prevalent in the real world. For example, the capability to pay back a loan for people in a certain social group might depend on historically how frequently that group has been approved loan applications. If banks keep rejecting loan applications to people in a disadvantaged group, it could create a feedback loop and further damage the chance of getting loans for people in that group. In this paper, we formulate this delayed and long-term impact of actions within the context of multi-armed bandits. We generalize the bandit setting to encode the dependency of this ``bias" due to the action history during learning. The goal is to maximize the collected utilities over time while taking into account the dynamics created by the delayed impacts of historical actions. We propose an algorithm that achieves a regret of $\tilde{O}(KT^{2/3})$ and show a matching regret lower bound of $\Omega(KT^{2/3})$, where $K$ is the number of arms and $T$ is the learning horizon. Our results complement the bandit literature by adding techniques to deal with actions with long-term impacts and have implications in designing fair algorithms.

The objective of change point detection (CPD) is to detect significant and abrupt changes in the dynamics of the underlying system of interest through multivariate time series observations. In this work, we develop and analyze an algorithm for CPD that is inspired by a variant of the classical singular spectrum analysis (SSA) approach for time series by combining it with the classical cumulative sum (CUSUM) statistic from sequential hypothesis testing. In particular, we model the underlying dynamics of multivariate time series observations through the spatio-temporal model introduced recently in the multivariate SSA (mSSA) literature. The change point in such a setting corresponds to a change in the underlying spatio-temporal model. As the primary contributions of this work, we develop an algorithm based on CUSUM-statistic to detect such change points in an online fashion. We extend the analysis of CUSUM statistics, traditionally done for the setting of independent observations, to the dependent setting of (multivariate) time series under the spatio-temporal model. Specifically, for a given parameter $h > 0$, our method achieves the following desirable trade-off: when a change happens, it detects it within $O(h)$ time delay on average, while in the absence of change, it does not declare false detection for at least $\exp(\Omega(h))$ time length on average. We conduct empirical experiments using benchmark and synthetic datasets. We find that the proposed method performs competitively or outperforms the state-of-the-art change point detection methods across datasets.

A major problem in motor control is understanding how the brain plans and executes proper movements in the face of delayed and noisy stimuli. A prominent framework for addressing such control problems is Optimal Feedback Control (OFC). OFC generates control actions that optimize behaviorally relevant criteria by integrating noisy sensory stimuli and the predictions of an internal model using the Kalman filter or its extensions. However, a satisfactory neural model of Kalman filtering and control is lacking because existing proposals have the following limitations: not considering the delay of sensory feedback, training in alternating phases, requiring knowledge of the noise covariance matrices, as well as that of systems dynamics. Moreover, the majority of these studies considered Kalman filtering in isolation, and not jointly with control. To address these shortcomings, we introduce a novel online algorithm which combines adaptive Kalman filtering with a model free control approach (i.e., policy gradient algorithm). We implement this algorithm in a biologically plausible neural network with local synaptic plasticity rules. This network, with local synaptic plasticity rules, performs system identification, Kalman filtering and control with delayed noisy sensory feedback. This network performs system identification and Kalman filtering, without the need for multiple phases with distinct update rules or the knowledge of the noise covariances. It can perform state estimation with delayed sensory feedback, with the help of an internal model. It learns the control policy without requiring any knowledge of the dynamics, thus avoiding the need for weight transport. In this way, our implementation of OFC solves the credit assignment problem needed to produce the appropriate sensory-motor control in the presence of stimulus delay.

Value function factorization (VFF) is a popular approach to cooperative multi-agent reinforcement learning in order to learn local value functions from global rewards. However, state-of-the-art VFF is limited to a handful of agents in most domains. We hypothesize that this is due to the flat factorization scheme, where the VFF operator becomes a performance bottleneck with an increasing number of agents. Therefore, we propose VFF with variable agent sub-teams (VAST). VAST approximates a factorization for sub-teams which can be defined in an arbitrary way and vary over time, e.g., to adapt to different situations. The sub-team values are then linearly decomposed for all sub-team members. Thus, VAST can learn on a more focused and compact input representation of the original VFF operator. We evaluate VAST in three multi-agent domains and show that VAST can significantly outperform state-of-the-art VFF, when the number of agents is sufficiently large.

This paper presents a problem in power networks that creates an exciting and yet challenging real-world scenario for application of multi-agent reinforcement learning (MARL). The emerging trend of decarbonisation is placing excessive stress on power distribution networks. Active voltage control is seen as a promising solution to relieve power congestion and improve voltage quality without extra hardware investment, taking advantage of the controllable apparatuses in the network, such as roof-top photovoltaics (PVs) and static var compensators (SVCs). These controllable apparatuses appear in a vast number and are distributed in a wide geographic area, making MARL a natural candidate. This paper formulates the active voltage control problem in the framework of Dec-POMDP and establishes an open-source environment. It aims to bridge the gap between the power community and the MARL community and be a drive force towards real-world applications of MARL algorithms. Finally, we analyse the special characteristics of the active voltage control problems that cause challenges (e.g. interpretability) for state-of-the-art MARL approaches, and summarise the potential directions.

The rapid proliferation of machine learning models across domains and deployment settings has given rise to various communities (e.g. industry practitioners) which seek to benchmark models across tasks and objectives of personal value. Unfortunately, these users cannot use standard benchmark results to perform such value-driven comparisons as traditional benchmarks evaluate models on a single objective (e.g. average accuracy) and fail to facilitate a standardized training framework that controls for confounding variables (e.g. computational budget), making fair comparisons difficult. To address these challenges, we introduce the open-source Ludwig Benchmarking Toolkit (LBT), a personalized benchmarking toolkit for running end-to-end benchmark studies (from hyperparameter optimization to evaluation) across an easily extensible set of tasks, deep learning models, datasets and evaluation metrics. LBT provides a configurable interface for controlling training and customizing evaluation, a standardized training framework for eliminating confounding variables, and support for multi-objective evaluation. We demonstrate how LBT can be used to create personalized benchmark studies with a large-scale comparative analysis for text classification across 7 models and 9 datasets. We explore the trade-offs between inference latency and performance, relationships between dataset attributes and performance, and the effects of pretraining on convergence and robustness, showing how LBT can be used to satisfy various benchmarking objectives.

A common pain point in differentially private machine learning is the significant runtime overhead incurred when executing Differentially Private Stochastic Gradient Descent (DPSGD), which may be as large as two orders of magnitude. We thoroughly demonstrate that by exploiting powerful language primitives, including vectorization, just-in-time compilation, and static graph optimization, one can dramatically reduce these overheads, in many cases nearly matching the best non-private running times. These gains are realized in two frameworks: one is JAX, which provides rich support for these primitives through the XLA compiler. We also rebuild core parts of TensorFlow Privacy, integrating more effective vectorization as well as XLA compilation, granting significant memory and runtime improvements over previous release versions. Our proposed approaches allow us to achieve up to 50x speedups compared to the best alternatives. Our code is available at https://github.com/TheSalon/fast-dpsgd.

Feature selection, as a vital dimension reduction technique, reduces data dimension by identifying an essential subset of input features, which can facilitate interpretable insights into learning and inference processes. Algorithmic stability is a key characteristic of an algorithm regarding its sensitivity to perturbations of input samples. In this paper, we propose an innovative unsupervised feature selection algorithm attaining this stability with provable guarantees. The architecture of our algorithm consists of a feature scorer and a feature selector. The scorer trains a neural network (NN) to globally score all the features, and the selector adopts a dependent sub-NN to locally evaluate the representation abilities for selecting features. Further, we present algorithmic stability analysis and show that our algorithm has a performance guarantee via a generalization error bound. Extensive experimental results on real-world datasets demonstrate superior generalization performance of our proposed algorithm to strong baseline methods. Also, the properties revealed by our theoretical analysis and the stability of our algorithm-selected features are empirically confirmed.

In recent years, the Transformer architecture has proven to be very successful in sequence processing, but its application to other data structures, such as graphs, has remained limited due to the difficulty of properly defining positions. Here, we present the \textit{Spectral Attention Network} (SAN), which uses a learned positional encoding (LPE) that can take advantage of the full Laplacian spectrum to learn the position of each node in a given graph. This LPE is then added to the node features of the graph and passed to a fully-connected Transformer. By leveraging the full spectrum of the Laplacian, our model is theoretically powerful in distinguishing graphs, and can better detect similar sub-structures from their resonance. Further, by fully connecting the graph, the Transformer does not suffer from over-squashing, an information bottleneck of most GNNs, and enables better modeling of physical phenomenons such as heat transfer and electric interaction. When tested empirically on a set of 4 standard datasets, our model performs on par or better than state-of-the-art GNNs, and outperforms any attention-based model by a wide margin, becoming the first fully-connected architecture to perform well on graph benchmarks.

An increasingly common setting in machine learning involves multiple parties, each with their own data, who want to jointly make predictions on future test points. Agents wish to benefit from the collective expertise of the full set of agents to make better predictions than they would individually, but may not be willing to release labeled data or model parameters. In this work, we explore a decentralized mechanism to make collective predictions at test time, that is inspired by the literature in social science on human consensus-making. Building on a query model to facilitate information exchange among agents, our approach leverages each agent’s pre-trained model without relying on external validation, model retraining, or data pooling. A theoretical analysis shows that our approach recovers inverse mean-squared-error (MSE) weighting in the large-sample limit which is known to be the optimal way to combine independent, unbiased estimators. Empirically, we demonstrate that our scheme effectively combines models with differing quality across the input space: the proposed consensus prediction achieves significant gains over classical model averaging, and even outperforms weighted averaging schemes that have access to additional validation data. Finally, we propose a decentralized Jackknife procedure as a tool to evaluate the sensitivity of the collective predictions with respect to a single agent's opinion.

Multi-task learning can leverage information learned by one task to benefit the training of other tasks. Despite this capacity, naively training all tasks together in one model often degrades performance, and exhaustively searching through combinations of task groupings can be prohibitively expensive. As a result, efficiently identifying the tasks that would benefit from training together remains a challenging design question without a clear solution. In this paper, we suggest an approach to select which tasks should train together in multi-task learning models. Our method determines task groupings in a single run by training all tasks together and quantifying the effect to which one task's gradient would affect another task's loss. On the large-scale Taskonomy computer vision dataset, we find this method can decrease test loss by 10.0% compared to simply training all tasks together while operating 11.6 times faster than a state-of-the-art task grouping method.