NeurIPS 2022 Papers

Symmetries built into a neural network have appeared to be very beneficial for a wide range of tasks as it saves the data to learn them. We depart from the position that when symmetries are not built into a model a priori, it is advantageous for robust networks to learn symmetries directly from the data to fit a task function. In this paper, we present a method to extract symmetries learned by a neural network and to evaluate the degree to which a network is invariant to them. With our method, we are able to explicitly retrieve learned invariances in a form of the generators of corresponding Lie-groups without prior knowledge of symmetries in the data. We use the proposed method to study how symmetrical properties depend on a neural network's parameterization and configuration. We found that the ability of a network to learn symmetries generalizes over a range of architectures. However, the quality of learned symmetries depends on the depth and the number of parameters.

We study sequential general online regression, known also as sequential probability assignments, under logarithmic loss when compared against a broad class of experts. We obtain tight, often matching, lower and upper bounds for sequential minimax regret, which is defined as the excess loss incurred by the predictor over the best expert in the class. After proving a general upper bound we consider some specific classes of experts from Lipschitz class to bounded Hessian class and derive matching lower and upper bounds with provably optimal constants. Our bounds work for a wide range of values of the data dimension and the number of rounds. To derive lower bounds, we use tools from information theory (e.g., Shtarkov sum) and for upper bounds, we resort to new "smooth truncated covering" of the class of experts. This allows us to find constructive proofs by applying a simple and novel truncated Bayesian algorithm. Our proofs are substantially simpler than the existing ones and yet provide tighter (and often optimal) bounds.

Learned representations are a central component in modern ML systems, serving a multitude of downstream tasks. When training such representations, it is often the case that computational and statistical constraints for each downstream task are unknown. In this context rigid, fixed capacity representations can be either over or under-accommodating to the task at hand. This leads us to ask: can we design a flexible representation that can adapt to multiple downstream tasks with varying computational resources? Our main contribution is Matryoshka Representation Learning (MRL) which encodes information at different granularities and allows a single embedding to adapt to the computational constraints of downstream tasks. MRL minimally modifies existing representation learning pipelines and imposes no additional cost during inference and deployment. MRL learns coarse-to-fine representations that are at least as accurate and rich as independently trained low-dimensional representations. The flexibility within the learned Matryoshka Representations offer: (a) up to $\mathbf{14}\times$ smaller embedding size for ImageNet-1K classification at the same level of accuracy; (b) up to $\mathbf{14}\times$ real-world speed-ups for large-scale retrieval on ImageNet-1K and 4K; and (c) up to $\mathbf{2}\%$ accuracy improvements for long-tail few-shot classification, all while being as robust as the original representations. Finally, we show that MRL extends seamlessly to web-scale datasets (ImageNet, JFT) across various modalities -- vision (ViT, ResNet), vision + language (ALIGN) and language (BERT). MRL code and pretrained models are open-sourced at https://github.com/RAIVNLab/MRL.

We study the differentially private (DP) $k$-means and $k$-median clustering problems of $n$ points in $d$-dimensional Euclidean space in the massively parallel computation (MPC) model. We provide two near-optimal algorithms where the near-optimality is in three aspects: they both achieve (1). $O(1)$ parallel computation rounds, (2). near-linear in $n$ and polynomial in $k$ total computational work (i.e., near-linear running time when $n$ is a sufficient polynomial in $k$), (3). $O(1)$ relative approximation and $\text{poly}(k, d)$ additive error. Note that $\Omega(1)$ relative approximation is provably necessary even for any polynomial-time non-private algorithm, and $\Omega(k)$ additive error is a provable lower bound for any polynomial-time DP $k$-means/median algorithm. Our two algorithms provide a tradeoff between the relative approximation and the additive error: the first has $O(1)$ relative approximation and $\sim (k^{2.5} + k^{1.01} \sqrt{d})$ additive error, and the second one achieves $(1+\gamma)$ relative approximation to the optimal non-private algorithm for an arbitrary small constant $\gamma>0$ and with $\text{poly}(k, d)$ additive error for a larger polynomial dependence on $k$ and $d$. To achieve our result, we develop a general framework which partitions the data and reduces the DP clustering problem for the entire dataset to the DP clustering problem for each part. To control the blow-up of the additive error introduced by each part, we develop a novel charging argument which might be of independent interest.

The usage of automated learning agents is becoming increasingly prevalent in many online economic applications such as online auctions and automated trading. Motivated by such applications, this paper is dedicated to fundamental modeling and analysis of the strategic situations that the users of automated learning agents are facing. We consider strategic settings where several users engage in a repeated online interaction, assisted by regret-minimizing learning agents that repeatedly play a "game" on their behalf. We propose to view the outcomes of the agents' dynamics as inducing a "meta-game" between the users. Our main focus is on whether users can benefit in this meta-game from "manipulating" their own agents by misreporting their parameters to them. We define a general framework to model and analyze these strategic interactions between users of learning agents for general games and analyze the equilibria induced between the users in three classes of games. We show that, generally, users have incentives to misreport their parameters to their own agents, and that such strategic user behavior can lead to very different outcomes than those anticipated by standard analysis.

Recently Transformer has been largely explored in tracking and shown state-of-the-art (SOTA) performance. However, existing efforts mainly focus on fusing and enhancing features generated by convolutional neural networks (CNNs). The potential of Transformer in representation learning remains under-explored. In this paper, we aim to further unleash the power of Transformer by proposing a simple yet efficient fully-attentional tracker, dubbed SwinTrack, within classic Siamese framework. In particular, both representation learning and feature fusion in SwinTrack leverage the Transformer architecture, enabling better feature interactions for tracking than pure CNN or hybrid CNN-Transformer frameworks. Besides, to further enhance robustness, we present a novel motion token that embeds historical target trajectory to improve tracking by providing temporal context. Our motion token is lightweight with negligible computation but brings clear gains. In our thorough experiments, SwinTrack exceeds existing approaches on multiple benchmarks. Particularly, on the challenging LaSOT, SwinTrack sets a new record with 0.713 SUC score. It also achieves SOTA results on other benchmarks. We expect SwinTrack to serve as a solid baseline for Transformer tracking and facilitate future research. Our codes and results are released at https://github.com/LitingLin/SwinTrack.

More than twenty years after its introduction, Annealed Importance Sampling (AIS) remains one of the most effective methods for marginal likelihood estimation. It relies on a sequence of distributions interpolating between a tractable initial distribution and the target distribution of interest which we simulate from approximately using a non-homogeneous Markov chain. To obtain an importance sampling estimate of the marginal likelihood, AIS introduces an extended target distribution to reweight the Markov chain proposal. While much effort has been devoted to improving the proposal distribution used by AIS, by changing the intermediate distributions and corresponding Markov kernels, an underappreciated issue is that AIS uses a convenient but suboptimal extended target distribution. This can hinder its performance. We here leverage recent progress in score-based generative modeling (SGM) to approximate the optimal extended target distribution for AIS proposals corresponding to the discretization of Langevin and Hamiltonian dynamics. We demonstrate these novel, differentiable, AIS procedures on a number of synthetic benchmark distributions and variational auto-encoders.

Associative memory plays an important role in human intelligence and its mechanisms have been linked to attention in machine learning. While the machine learning community's interest in associative memories has recently been rekindled, most work has focused on memory recall ($read$) over memory learning ($write$). In this paper, we present BayesPCN, a hierarchical associative memory capable of performing continual one-shot memory writes without meta-learning. Moreover, BayesPCN is able to gradually forget past observations ($forget$) to free its memory. Experiments show that BayesPCN can recall corrupted i.i.d. high-dimensional data observed hundreds to a thousand ``timesteps'' ago without a large drop in recall ability compared to the state-of-the-art offline-learned parametric memory models.

Fair machine learning aims to avoid treating individuals or sub-populations unfavourably based on \textit{sensitive attributes}, such as gender and race. Those methods in fair machine learning that are built on causal inference ascertain discrimination and bias through causal effects. Though causality-based fair learning is attracting increasing attention, current methods assume the true causal graph is fully known. This paper proposes a general method to achieve the notion of counterfactual fairness when the true causal graph is unknown. To select features that lead to counterfactual fairness, we derive the conditions and algorithms to identify ancestral relations between variables on a \textit{Partially Directed Acyclic Graph (PDAG)}, specifically, a class of causal DAGs that can be learned from observational data combined with domain knowledge. Interestingly, we find that counterfactual fairness can be achieved as if the true causal graph were fully known, when specific background knowledge is provided: the sensitive attributes do not have ancestors in the causal graph. Results on both simulated and real-world datasets demonstrate the effectiveness of our method.

Designing and analyzing model-based RL (MBRL) algorithms with guaranteed monotonic improvement has been challenging, mainly due to the interdependence between policy optimization and model learning. Existing discrepancy bounds generally ignore the impacts of model shifts, and their corresponding algorithms are prone to degrade performance by drastic model updating. In this work, we first propose a novel and general theoretical scheme for a non-decreasing performance guarantee of MBRL. Our follow-up derived bounds reveal the relationship between model shifts and performance improvement. These discoveries encourage us to formulate a constrained lower-bound optimization problem to permit the monotonicity of MBRL. A further example demonstrates that learning models from a dynamically-varying number of explorations benefit the eventual returns. Motivated by these analyses, we design a simple but effective algorithm CMLO (Constrained Model-shift Lower-bound Optimization), by introducing an event-triggered mechanism that flexibly determines when to update the model. Experiments show that CMLO surpasses other state-of-the-art methods and produces a boost when various policy optimization methods are employed.

We show that label noise exists in adversarial training. Such label noise is due to the mismatch between the true label distribution of adversarial examples and the label inherited from clean examples – the true label distribution is distorted by the adversarial perturbation, but is neglected by the common practice that inherits labels from clean examples. Recognizing label noise sheds insights on the prevalence of robust overfitting in adversarial training, and explains its intriguing dependence on perturbation radius and data quality. Also, our label noise perspective aligns well with our observations of the epoch-wise double descent in adversarial training. Guided by our analyses, we proposed a method to automatically calibrate the label to address the label noise and robust overfitting. Our method achieves consistent performance improvements across various models and datasets without introducing new hyper-parameters or additional tuning.

The application of machine learning in safety-critical systems requires a reliable assessment of uncertainty. However, deep neural networks are known to produce highly overconfident predictions on out-of-distribution (OOD) data. Even if trained to be non-confident on OOD data, one can still adversarially manipulate OOD data so that the classifier again assigns high confidence to the manipulated samples. We show that two previously published defenses can be broken by better adapted attacks, highlighting the importance of robustness guarantees around OOD data. Since the existing method for this task is hard to train and significantly limits accuracy, we construct a classifier that can simultaneously achieve provably adversarially robust OOD detection and high clean accuracy. Moreover, by slightly modifying the classifier's architecture our method provably avoids the asymptotic overconfidence problem of standard neural networks. We provide code for all our experiments.

The susceptibility of Variational Autoencoders (VAEs) to adversarial attacks indicates the necessity to evaluate the robustness of the learned representations along with the generation performance. The vulnerability of VAEs has been attributed to the limitations associated with their variational formulation. Deterministic autoencoders could overcome the practical limitations associated with VAEs and offer a promising alternative for image generation applications. In this work, we propose an adversarially robust deterministic autoencoder with superior performance in terms of both generation and robustness of the learned representations. We introduce a regularization scheme to incorporate adversarially perturbed data points to the training pipeline without increasing the computational complexity or compromising the generation fidelity by leveraging a loss based on the two-point Kolmogorov–Smirnov test between representations. We conduct extensive experimental studies on popular image benchmark datasets to quantify the robustness of the proposed approach based on the adversarial attacks targeted at VAEs. Our empirical findings show that the proposed method achieves significant performance in both robustness and fidelity when compared to the robust VAE models.

Regularization can mitigate the generalization gap between training and inference by introducing inductive bias. Existing works have already proposed various inductive biases from diverse perspectives. However, none of them explores inductive bias from the perspective of class-dependent response distribution of individual neurons. In this paper, we conduct a substantial analysis of the characteristics of such distribution. Based on the analysis results, we articulate the Neuron Steadiness Hypothesis: the neuron with similar responses to instances of the same class leads to better generalization. Accordingly, we propose a new regularization method called Neuron Steadiness Regularization (NSR) to reduce neuron intra-class response variance. Based on the Complexity Measure, we theoretically guarantee the effectiveness of NSR for improving generalization. We conduct extensive experiments on Multilayer Perceptron, Convolutional Neural Networks, and Graph Neural Networks with popular benchmark datasets of diverse domains, which show that our Neuron Steadiness Regularization consistently outperforms the vanilla version of models with significant gain and low additional computational overhead.

Predictive multiplicity occurs when classification models with statistically indistinguishable performances assign conflicting predictions to individual samples. When used for decision-making in applications of consequence (e.g., lending, education, criminal justice), models developed without regard for predictive multiplicity may result in unjustified and arbitrary decisions for specific individuals. We introduce a new metric, called Rashomon Capacity, to measure predictive multiplicity in probabilistic classification. Prior metrics for predictive multiplicity focus on classifiers that output thresholded (i.e., 0-1) predicted classes. In contrast, Rashomon Capacity applies to probabilistic classifiers, capturing more nuanced score variations for individual samples. We provide a rigorous derivation for Rashomon Capacity, argue its intuitive appeal, and demonstrate how to estimate it in practice. We show that Rashomon Capacity yields principled strategies for disclosing conflicting models to stakeholders. Our numerical experiments illustrate how Rashomon Capacity captures predictive multiplicity in various datasets and learning models, including neural networks. The tools introduced in this paper can help data scientists measure and report predictive multiplicity prior to model deployment.

Neural Networks (NNs) have been successfully employed to represent the state evolution of complex dynamical systems. Such models, referred to as NN dynamic models (NNDMs), use iterative noisy predictions of NN to estimate a distribution of system trajectories over time. Despite their accuracy, safety analysis of NNDMs is known to be a challenging problem and remains largely unexplored. To address this issue, in this paper, we introduce a method of providing safety guarantees for NNDMs. Our approach is based on stochastic barrier functions, whose relation with safety are analogous to that of Lyapunov functions with stability. We first show a method of synthesizing stochastic barrier functions for NNDMs via a convex optimization problem, which in turn provides a lower bound on the system's safety probability. A key step in our method is the employment of the recent convex approximation results for NNs to find piece-wise linear bounds, which allow the formulation of the barrier function synthesis problem as a sum-of-squares optimization program. If the obtained safety probability is above the desired threshold, the system is certified. Otherwise, we introduce a method of generating controls for the system that robustly minimize the unsafety probability in a minimally-invasive manner. We exploit the convexity property of the barrier function to formulate the optimal control synthesis problem as a linear program. Experimental results illustrate the efficacy of the method. Namely, they show that the method can scale to multi-dimensional NNDMs with multiple layers and hundreds of neurons per layer, and that the controller can significantly improve the safety probability.

Uncertainty estimation is essential to make neural networks trustworthy in real-world applications. Extensive research efforts have been made to quantify and reduce predictive uncertainty. However, most existing works are designed for unimodal data, whereas multi-view uncertainty estimation has not been sufficiently investigated. Therefore, we propose a new multi-view classification framework for better uncertainty estimation and out-of-domain sample detection, where we associate each view with an uncertainty-aware classifier and combine the predictions of all the views in a principled way. The experimental results with real-world datasets demonstrate that our proposed approach is an accurate, reliable, and well-calibrated classifier, which predominantly outperforms the multi-view baselines tested in terms of expected calibration error, robustness to noise, and accuracy for the in-domain sample classification and the out-of-domain sample detection tasks

In recommendation systems, global positioning, system identification and mobile social networks, it is a fundamental routine that a server completes a low-rank matrix from an observed subset of its entries. However, sending data to a cloud server raises up the data privacy concern due to eavesdropping attacks and the single-point failure problem, e.g., the Netflix prize contest was canceled after a privacy lawsuit. In this paper, we propose a homomorphic matrix completion algorithm for privacy-preserving data completion. First, we formulate a \textit{homomorphic matrix completion} problem where a server performs matrix completion on cyphertexts, and propose an encryption scheme that is fast and easy to implement. Secondly, we prove that the proposed scheme satisfies the \textit{homomorphism property} that decrypting the recovered matrix on cyphertexts will obtain the target complete matrix in plaintext. Thirdly, we prove that the proposed scheme satisfies an $(\epsilon, \delta)$-differential privacy property. While with similar level of privacy guarantee, we reduce the best-known error bound $O(\sqrt[10]{n_1^3n_2})$ to EXACT recovery at a price of more samples. Finally, on numerical data and real-world data, we show that both homomorphic nuclear-norm minimization and alternating minimization algorithms achieve accurate recoveries on cyphertexts, verifying the homomorphism property.

Our goal is to synthesize realistic underwater scenes with various fish species in different fish cages, which can be utilized to train computer vision models to automate fish counting and sizing tasks. It is a challenging problem to prepare a sufficiently diverse labeled dataset of images from aquatic environments. We solve this challenge by introducing an adaptive bio-inspired fish simulation. The behavior of caged fish changes based on the species, size and number of fish, and the size and shape of the cage, among other variables. However, a method to autonomously achieve schooling behavior for caged fish did not exist. In this paper, we propose a method for achieving schooling behavior for any given combination of variables, using multi-agent deep reinforcement learning (DRL) in various fish cages in arbitrary environments. Furthermore, to visually reproduce the underwater scene in different locations and seasons, we incorporate a physically-based underwater simulation.