NeurIPS 2022 Papers

The ability to estimate epistemic uncertainty is often crucial when deploying machine learning in the real world, but modern methods often produce overconfident, uncalibrated uncertainty predictions. A common approach to quantify epistemic uncertainty, usable across a wide class of prediction models, is to train a model ensemble. In a naive implementation, the ensemble approach has high computational cost and high memory demand. This challenges in particular modern deep learning, where even a single deep network is already demanding in terms of compute and memory, and has given rise to a number of attempts to emulate the model ensemble without actually instantiating separate ensemble members. We introduce FiLM-Ensemble, a deep, implicit ensemble method based on the concept of Feature-wise Linear Modulation (FiLM). That technique was originally developed for multi-task learning, with the aim of decoupling different tasks. We show that the idea can be extended to uncertainty quantification: by modulating the network activations of a single deep network with FiLM, one obtains a model ensemble with high diversity, and consequently well-calibrated estimates of epistemic uncertainty, with low computational overhead in comparison. Empirically, FiLM-Ensemble outperforms other implicit ensemble methods, and it comes very close to the upper bound of an explicit ensemble of networks (sometimes even beating it), at a fraction of the memory cost.

Overparameterized models with millions of parameters have been hugely successful. In this work, we ask: can the need for large models be, at least in part, due to the \emph{computational} limitations of the learner? Additionally, we ask, is this situation exacerbated for \emph{robust} learning? We show that this indeed could be the case. We show learning tasks for which computationally bounded learners need \emph{significantly more} model parameters than what information-theoretic learners need. Furthermore, we show that even more model parameters could be necessary for robust learning. In particular, for computationally bounded learners, we extend the recent result of Bubeck and Sellke [NeurIPS'2021] which shows that robust models might need more parameters, to the computational regime and show that bounded learners could provably need an even larger number of parameters. Then, we address the following related question: can we hope to remedy the situation for robust computationally bounded learning by restricting \emph{adversaries} to also be computationally bounded for sake of obtaining models with fewer parameters? Here again, we show that this could be possible. Specifically, building on the work of Garg, Jha, Mahloujifar, and Mahmoody [ALT'2020], we demonstrate a learning task that can be learned efficiently and robustly against a computationally bounded attacker, while to be robust against an information-theoretic attacker requires the learner to utilize significantly more parameters.

A deeper network structure generally handles more complicated non-linearity and performs more competitively. Nowadays, advanced network designs often contain a large number of repetitive structures (e.g., Transformer). They empower the network capacity to a new level but also increase the model size inevitably, which is unfriendly to either model restoring or transferring. In this study, we are the first to investigate the representative potential of fixed random weights with limited unique values by learning diverse masks and introduce the Parameter-Efficient Masking Networks (PEMN). It also naturally leads to a new paradigm for model compression to diminish the model size. Concretely, motivated by the repetitive structures in modern neural networks, we utilize one random initialized layer, accompanied with different masks, to convey different feature mappings and represent repetitive network modules. Therefore, the model can be expressed as \textit{one-layer} with a bunch of masks, which significantly reduce the model storage cost. Furthermore, we enhance our strategy by learning masks for a model filled by padding a given random weights vector. In this way, our method can further lower the space complexity, especially for models without many repetitive architectures. We validate the potential of PEMN learning masks on random weights with limited unique values and test its effectiveness for a new compression paradigm based on different network architectures. Code is available at \href{https://github.com/yueb17/PEMN}{\textcolor{magenta}{https://github.com/yueb17/PEMN}}.

We consider the problem of controlling an unknown stochastic linear system with quadratic costs -- called the adaptive LQ control problem. We re-examine an approach called ``Reward-Biased Maximum Likelihood Estimate'' (RBMLE) that was proposed more than forty years ago, and which predates the ``Upper Confidence Bound'' (UCB) method, as well as the definition of ``regret'' for bandit problems. It simply added a term favoring parameters with larger rewards to the criterion for parameter estimation. We show how the RBMLE and UCB methods can be reconciled, and thereby propose an Augmented RBMLE-UCB algorithm that combines the penalty of the RBMLE method with the constraints of the UCB method, uniting the two approaches to optimism in the face of uncertainty. We establish that theoretically, this method retains ${\mathcal{O}}(\sqrt{T})$ regret, the best known so far. We further compare the empirical performance of the proposed Augmented RBMLE-UCB and the standard RBMLE (without the augmentation) with UCB, Thompson Sampling, Input Perturbation, Randomized Certainty Equivalence and StabL on many real-world examples including flight control of Boeing 747 and Unmanned Aerial Vehicle. We perform extensive simulation studies showing that the Augmented RBMLE consistently outperforms UCB, Thompson Sampling and StabL by a huge margin, while it is marginally better than Input Perturbation and moderately better than Randomized Certainty Equivalence.

A surprising phenomenon in modern machine learning is the ability of a highly overparameterized model to generalize well (small error on the test data) even when it is trained to memorize the training data (zero error on the training data). This has led to an arms race towards increasingly overparameterized models (c.f., deep learning). In this paper, we study an underexplored hidden cost of overparameterization: the fact that overparameterized models may be more vulnerable to privacy attacks, in particular the membership inference attack that predicts the (potentially sensitive) examples used to train a model. We significantly extend the relatively few empirical results on this problem by theoretically proving for an overparameterized linear regression model in the Gaussian data setting that membership inference vulnerability increases with the number of parameters. Moreover, a range of empirical studies indicates that more complex, nonlinear models exhibit the same behavior. Finally, we extend our analysis towards ridge-regularized linear regression and show in the Gaussian data setting that increased regularization also increases membership inference vulnerability in the overparameterized regime.

Recently, the accuracy of image-text matching has been greatly improved by multimodal pretrained models, all of which are trained on millions or billions of paired images and texts. Different from them, this paper studies a new scenario as unpaired image-text matching, in which paired images and texts are assumed to be unavailable during model training. To deal with this, we propose a simple yet effective method namely Multimodal Aligned Conceptual Knowledge (MACK), which is inspired by the knowledge use in human brain. It can be directly used as general knowledge to correlate images and texts even without model training, or further fine-tuned based on unpaired images and texts to better generalize to certain datasets. In addition, we extend it as a re-ranking method, which can be easily combined with existing image-text matching models to substantially improve their performance.

Graphical models such as Gaussian graphical models have been widely applied for direct interaction inference in many different areas. In many modern applications, such as single-cell RNA sequencing (scRNA-seq) studies, the observed data are counts and often contain many small counts. Traditional graphical models for continuous data are inappropriate for network inference of count data. We consider the Poisson log-normal (PLN) graphical model for count data and the precision matrix of the latent normal distribution represents the network. We propose a two-step method PLNet to estimate the precision matrix. PLNet first estimates the latent covariance matrix using the maximum marginal likelihood estimator (MMLE) and then estimates the precision matrix by minimizing the lasso-penalized D-trace loss function. We establish the convergence rate of the MMLE of the covariance matrix and further establish the convergence rate and the sign consistency of the proposed PLNet estimator of the precision matrix in the high dimensional setting. Importantly, although the PLN model is not sub-Gaussian, we show that the PLNet estimator is consistent even if the model dimension goes to infinity exponentially as the sample size increases. The performance of PLNet is evaluated and compared with available methods using simulation and gene regulatory network analysis of real scRNA-seq data.

In the era of deep learning, word embeddings are essential when dealing with text tasks. However, storing and accessing these embeddings requires a large amount of space. This is not conducive to the deployment of these models on resource-limited devices. Combining the powerful compression capability of tensor products, we propose a word embedding compression method with morphological augmentation, Morphologically-enhanced Tensorized Embeddings (MorphTE). A word consists of one or more morphemes, the smallest units that bear meaning or have a grammatical function. MorphTE represents a word embedding as an entangled form of its morpheme vectors via the tensor product, which injects prior semantic and grammatical knowledge into the learning of embeddings. Furthermore, the dimensionality of the morpheme vector and the number of morphemes are much smaller than those of words, which greatly reduces the parameters of the word embeddings. We conduct experiments on tasks such as machine translation and question answering. Experimental results on four translation datasets of different languages show that MorphTE can compress word embedding parameters by about $20$ times without performance loss and significantly outperforms related embedding compression methods.

The score-based query attacks (SQAs) pose practical threats to deep neural networks by crafting adversarial perturbations within dozens of queries, only using the model's output scores. Nonetheless, we note that if the loss trend of the outputs is slightly perturbed, SQAs could be easily misled and thereby become much less effective. Following this idea, we propose a novel defense, namely Adversarial Attack on Attackers (AAA), to confound SQAs towards incorrect attack directions by slightly modifying the output logits. In this way, (1) SQAs are prevented regardless of the model's worst-case robustness; (2) the original model predictions are hardly changed, i.e., no degradation on clean accuracy; (3) the calibration of confidence scores can be improved simultaneously. Extensive experiments are provided to verify the above advantages. For example, by setting $\ell_\infty=8/255$ on CIFAR-10, our proposed AAA helps WideResNet-28 secure 80.59% accuracy under Square attack (2500 queries), while the best prior defense (i.e., adversarial training) only attains 67.44%. Since AAA attacks SQA's general greedy strategy, such advantages of AAA over 8 defenses can be consistently observed on 8 CIFAR-10/ImageNet models under 6 SQAs, using different attack targets, bounds, norms, losses, and strategies. Moreover, AAA calibrates better without hurting the accuracy. Our code is available at https://github.com/Sizhe-Chen/AAA.

In this work, we study how to efficiently obtain perfect samples from a discrete distribution $\mathcal{D}$ given access only to pairwise comparisons of elements of its support. Specifically, we assume access to samples $(x, S)$, where $S$ is drawn from a distribution over sets $\mathcal{Q}$ (indicating the elements being compared), and $x$ is drawn from the conditional distribution $\mathcal{D}_S$ (indicating the winner of the comparison) and aim to output a clean sample $y$ distributed according to $\mathcal{D}$. We mainly focus on the case of pairwise comparisons where all sets $S$ have size 2. We design a Markov chain whose stationary distribution coincides with $\mathcal{D}$ and give an algorithm to obtain exact samples using the technique of Coupling from the Past. However, the sample complexity of this algorithm depends on the structure of the distribution $\mathcal{D}$ and can be even exponential in the support of $\mathcal{D}$ in many natural scenarios. Our main contribution is to provide an efficient exact sampling algorithm whose complexity does not depend on the structure of $\mathcal{D}$. To this end, we give a parametric Markov chain that mixes significantly faster given a good approximation to the stationary distribution. We can obtain such an approximation using an efficient learning from pairwise comparisons algorithm (Shah et al., JMLR 17, 2016). Our technique for speeding up sampling from a Markov chain whose stationary distribution is approximately known is simple, general and possibly of independent interest.

Neural signals are typical nonstationary data where the functional mapping between neural activities and the intentions (such as the velocity of movements) can occasionally change. Existing studies mostly use a fixed neural decoder, thus suffering from an unstable performance given neural functional changes. We propose a novel evolutionary ensemble framework (EvoEnsemble) to dynamically cope with changes in neural signals by evolving the decoder model accordingly. EvoEnsemble integrates evolutionary computation algorithms in a Bayesian framework where the fitness of models can be sequentially computed with their likelihoods according to the incoming data at each time slot, which enables online tracking of time-varying functions. Two strategies of evolve-at-changes and history-model-archive are designed to further improve efficiency and stability. Experiments with simulations and neural signals demonstrate that EvoEnsemble can track the changes in functions effectively thus improving the accuracy and robustness of neural decoding. The improvement is most significant in neural signals with functional changes.

Deep neural networks (DNNs) have achieved remarkable success in a variety of computer vision tasks, where massive labeled images are routinely required for model optimization. Yet, the data collected from the open world are unavoidably polluted by noise, which may significantly undermine the efficacy of the learned models. Various attempts have been made to reliably train DNNs under data noise, but they separately account for either the noise existing in the labels or that existing in the images. A naive combination of the two lines of works would suffer from the limitations in both sides, and miss the opportunities to handle the two kinds of noise in parallel. This works provides a first, unified framework for reliable learning under the joint (image, label)-noise. Technically, we develop a confidence-based sample filter to progressively filter out noisy data without the need of pre-specifying noise ratio. Then, we penalize the model uncertainty of the detected noisy data instead of letting the model continue over-fitting the misleading information in them. Experimental results on various challenging synthetic and real-world noisy datasets verify that the proposed method can outperform competing baselines in the aspect of classification performance.

The Bayes-Adaptive Markov Decision Process (BAMDP) formalism pursues the Bayes-optimal solution to the exploration-exploitation trade-off in reinforcement learning. As the computation of exact solutions to Bayesian reinforcement-learning problems is intractable, much of the literature has focused on developing suitable approximation algorithms. In this work, before diving into algorithm design, we first define, under mild structural assumptions, a complexity measure for BAMDP planning. As efficient exploration in BAMDPs hinges upon the judicious acquisition of information, our complexity measure highlights the worst-case difficulty of gathering information and exhausting epistemic uncertainty. To illustrate its significance, we establish a computationally-intractable, exact planning algorithm that takes advantage of this measure to show more efficient planning. We then conclude by introducing a specific form of state abstraction with the potential to reduce BAMDP complexity and gives rise to a computationally-tractable, approximate planning algorithm.

This paper introduces Honor of Kings Arena, a reinforcement learning (RL) environment based on the Honor of Kings, one of the world’s most popular games at present. Compared to other environments studied in most previous work, ours presents new generalization challenges for competitive reinforcement learning. It is a multi-agent problem with one agent competing against its opponent; and it requires the generalization ability as it has diverse targets to control and diverse opponents to compete with. We describe the observation, action, and reward specifications for the Honor of Kings domain and provide an open-source Python-based interface for communicating with the game engine. We provide twenty target heroes with a variety of tasks in Honor of Kings Arena and present initial baseline results for RL-based methods with feasible computing resources. Finally, we showcase the generalization challenges imposed by Honor of Kings Arena and possible remedies to the challenges. All of the software, including the environment-class, are publicly available.

In consequential decision-making applications, mitigating unwanted biases in machine learning models that yield systematic disadvantage to members of groups delineated by sensitive attributes such as race and gender is one key intervention to strive for equity. Focusing on demographic parity and equality of opportunity, in this paper we propose an algorithm that improves the fairness of a pre-trained classifier by simply dropping carefully selected training data points. We select instances based on their influence on the fairness metric of interest, computed using an infinitesimal jackknife-based approach. The dropping of training points is done in principle, but in practice does not require the model to be refit. Crucially, we find that such an intervention does not substantially reduce the predictive performance of the model but drastically improves the fairness metric. Through careful experiments, we evaluate the effectiveness of the proposed approach on diverse tasks and find that it consistently improves upon existing alternatives.

In this study, we present \textit{meta-sequential prediction} (MSP), an unsupervised framework to learn the symmetry from the time sequence of length at least three. Our method leverages the stationary property~(e.g. constant velocity, constant acceleration) of the time sequence to learn the underlying equivariant structure of the dataset by simply training the encoder-decoder model to be able to predict the future observations. We will demonstrate that, with our framework, the hidden disentangled structure of the dataset naturally emerges as a by-product by applying \textit{simultaneous block-diagonalization} to the transition operators in the latent space, the procedure which is commonly used in representation theory to decompose the feature-space based on the type of response to group actions. We will showcase our method from both empirical and theoretical perspectives. Our result suggests that finding a simple structured relation and learning a model with extrapolation capability are two sides of the same coin. The code is available at https://github.com/takerum/meta_sequential_prediction.

We study semi-supervised learning (SSL) for vision transformers (ViT), an under-explored topic despite the wide adoption of the ViT architectures to different tasks. To tackle this problem, we use a SSL pipeline, consisting of first un/self-supervised pre-training, followed by supervised fine-tuning, and finally semi-supervised fine-tuning. At the semi-supervised fine-tuning stage, we adopt an exponential moving average (EMA)-Teacher framework instead of the popular FixMatch, since the former is more stable and delivers higher accuracy for semi-supervised vision transformers. In addition, we propose a probabilistic pseudo mixup mechanism to interpolate unlabeled samples and their pseudo labels for improved regularization, which is important for training ViTs with weak inductive bias. Our proposed method, dubbed Semi-ViT, achieves comparable or better performance than the CNN counterparts in the semi-supervised classification setting. Semi-ViT also enjoys the scalability benefits of ViTs that can be readily scaled up to large-size models with increasing accuracy. For example, Semi-ViT-Huge achieves an impressive 80\% top-1 accuracy on ImageNet using only 1\% labels, which is comparable with Inception-v4 using 100\% ImageNet labels. The code is available at https://github.com/amazon-science/semi-vit.

We explore the connection between outlier-robust high-dimensional statistics and non-convex optimization in the presence of sparsity constraints, with a focus on the fundamental tasks of robust sparse mean estimation and robust sparse PCA. We develop novel and simple optimization formulations for these problems such that any approximate stationary point of the associated optimization problem yields a near-optimal solution for the underlying robust estimation task. As a corollary, we obtain that any first-order method that efficiently converges to stationarity yields an efficient algorithm for these tasks. The obtained algorithms are simple, practical, and succeed under broader distributional assumptions compared to prior work.

Learning an informative representation with behavioral metrics is able to accelerate the deep reinforcement learning process. There are two key research issues on behavioral metric-based representation learning: 1) how to relax the computation of a specific behavioral metric, which is difficult or even intractable to compute, and 2) how to approximate the relaxed metric by learning an embedding space for states. In this paper, we analyze the potential relaxation and/or approximation gaps for existing behavioral metric-based representation learning methods. Based on the analysis, we propose a new behavioral distance, the RAP distance, and develop a practical representation learning algorithm on top of it with a theoretical analysis. We conduct extensive experiments on DeepMind Control Suite with distraction, Robosuite, and autonomous driving simulator CARLA to demonstrate new state-of-the-art results.