NeurIPS 2021 Papers

We present two sample-efficient differentially private mean estimators for $d$-dimensional (sub)Gaussian distributions with unknown covariance. Informally, given $n \gtrsim d/\alpha^2$ samples from such a distribution with mean $\mu$ and covariance $\Sigma$, our estimators output $\tilde\mu$ such that $\| \tilde\mu - \mu \|_{\Sigma} \leq \alpha$, where $\| \cdot \|_{\Sigma}$ is the \emph{Mahalanobis distance}. All previous estimators with the same guarantee either require strong a priori bounds on the covariance matrix or require $\Omega(d^{3/2})$ samples. Each of our estimators is based on a simple, general approach to designing differentially private mechanisms, but with novel technical steps to make the estimator private and sample-efficient. Our first estimator samples a point with approximately maximum Tukey depth using the exponential mechanism, but restricted to the set of points of large Tukey depth. Proving that this mechanism is private requires a novel analysis. Our second estimator perturbs the empirical mean of the data set with noise calibrated to the empirical covariance. Only the mean is released, however; the covariance is only used internally. Its sample complexity guarantees hold more generally for subgaussian distributions, albeit with a slightly worse dependence on the privacy parameter. For both estimators, careful preprocessing of the data is required to satisfy differential privacy.

Distributional reinforcement learning (RL) – in which agents learn about all the possible long-term consequences of their actions, and not just the expected value – is of great recent interest. One of the most important affordances of a distributional view is facilitating a modern, measured, approach to risk when outcomes are not completely certain. By contrast, psychological and neuroscientific investigations into decision making under risk have utilized a variety of more venerable theoretical models such as prospect theory that lack axiomatically desirable properties such as coherence. Here, we consider a particularly relevant risk measure for modeling human and animal planning, called conditional value-at-risk (CVaR), which quantifies worst-case outcomes (e.g., vehicle accidents or predation). We first adopt a conventional distributional approach to CVaR in a sequential setting and reanalyze the choices of human decision-makers in the well-known two-step task, revealing substantial risk aversion that had been lurking under stickiness and perseveration. We then consider a further critical property of risk sensitivity, namely time consistency, showing alternatives to this form of CVaR that enjoy this desirable characteristic. We use simulations to examine settings in which the various forms differ in ways that have implications for human and animal planning and behavior.

Recent experiments have shown that deep networks can approximate solutions to high-dimensional PDEs, seemingly escaping the curse of dimensionality. However, questions regarding the theoretical basis for such approximations, including the required network size remain open. In this paper, we investigate the representational power of neural networks for approximating solutions to linear elliptic PDEs with Dirichlet boundary conditions. We prove that when a PDE's coefficients are representable by small neural networks, the parameters required to approximate its solution scale polynomially with the input dimension $d$ and proportionally to the parameter counts of the coefficient networks. To this end, we develop a proof technique that simulates gradient descent (in an appropriate Hilbert space) by growing a neural network architecture whose iterates each participate as sub-networks in their (slightly larger) successors, and converge to the solution of the PDE.

We investigate how to exploit structural similarities of an individual's potential outcomes (POs) under different treatments to obtain better estimates of conditional average treatment effects in finite samples. Especially when it is unknown whether a treatment has an effect at all, it is natural to hypothesize that the POs are similar -- yet, some existing strategies for treatment effect estimation employ regularization schemes that implicitly encourage heterogeneity even when it does not exist and fail to fully make use of shared structure. In this paper, we investigate and compare three end-to-end learning strategies to overcome this problem -- based on regularization, reparametrization and a flexible multi-task architecture -- each encoding inductive bias favoring shared behavior across POs. To build understanding of their relative strengths, we implement all strategies using neural networks and conduct a wide range of semi-synthetic experiments. We observe that all three approaches can lead to substantial improvements upon numerous baselines and gain insight into performance differences across various experimental settings.

Learning efficiently from small amounts of data has long been the focus of model-based reinforcement learning, both for the online case when interacting with the environment, and the offline case when learning from a fixed dataset. However, to date no single unified algorithm could demonstrate state-of-the-art results for both settings. In this work, we describe the Reanalyse algorithm, which uses model-based policy and value improvement operators to compute improved training targets for existing data points, allowing for efficient learning at data budgets varying by several orders of magnitude. We further show that Reanalyse can also be used to learn completely without environment interactions, as in the case of Offline Reinforcement Learning (Offline RL). Combining Reanalyse with the MuZero algorithm, we introduce MuZero Unplugged, a single unified algorithm for any data budget, including Offline RL. In contrast to previous work, our algorithm requires no special adaptations for the off-policy or Offline RL settings. MuZero Unplugged sets new state-of-the-art results for Atari in the standard 200 million frame online setting as well as in the RL Unplugged Offline RL benchmark.

A $k$-decision tree $t$ (or $k$-tree) is a recursive partition of a matrix (2D-signal) into $k\geq 1$ block matrices (axis-parallel rectangles, leaves) where each rectangle is assigned a real label. Its regression or classification loss to a given matrix $D$ of $N$ entries (labels) is the sum of squared differences over every label in $D$ and its assigned label by $t$. Given an error parameter $\varepsilon\in(0,1)$, a $(k,\varepsilon)$-coreset $C$ of $D$ is a small summarization that provably approximates this loss to \emph{every} such tree, up to a multiplicative factor of $1\pm\varepsilon$. In particular, the optimal $k$-tree of $C$ is a $(1+\varepsilon)$-approximation to the optimal $k$-tree of $D$. We provide the first algorithm that outputs such a $(k,\varepsilon)$-coreset for \emph{every} such matrix $D$. The size $|C|$ of the coreset is polynomial in $k\log(N)/\varepsilon$, and its construction takes $O(Nk)$ time. This is by forging a link between decision trees from machine learning -- to partition trees in computational geometry. Experimental results on \texttt{sklearn} and \texttt{lightGBM} show that applying our coresets on real-world data-sets boosts the computation time of random forests and their parameter tuning by up to x$10$, while keeping similar accuracy. Full open source code is provided.

We study the problem of learning revenue-optimal multi-bidder auctions from samples when the samples of bidders' valuations can be adversarially corrupted or drawn from distributions that are adversarially perturbed. First, we prove tight upper bounds on the revenue we can obtain with a corrupted distribution under a population model, for both regular valuation distributions and distributions with monotone hazard rate (MHR). We then propose new algorithms that, given only an ``approximate distribution'' for the bidder's valuation, can learn a mechanism whose revenue is nearly optimal simultaneously for all ``true distributions'' that are $\alpha$-close to the original distribution in Kolmogorov-Smirnov distance. The proposed algorithms operate beyond the setting of bounded distributions that have been studied in prior works, and are guaranteed to obtain a fraction $1-O(\alpha)$ of the optimal revenue under the true distribution when the distributions are MHR. Moreover, they are guaranteed to yield at least a fraction $1-O(\sqrt{\alpha})$ of the optimal revenue when the distributions are regular. We prove that these upper bounds cannot be further improved, by providing matching lower bounds. Lastly, we derive sample complexity upper bounds for learning a near-optimal auction for both MHR and regular distributions.

Multi-hop reasoning (i.e., reasoning across two or more documents) is a key ingredient for NLP models that leverage large corpora to exhibit broad knowledge. To retrieve evidence passages, multi-hop models must contend with a fast-growing search space across the hops, represent complex queries that combine multiple information needs, and resolve ambiguity about the best order in which to hop between training passages. We tackle these problems via Baleen, a system that improves the accuracy of multi-hop retrieval while learning robustly from weak training signals in the many-hop setting. To tame the search space, we propose condensed retrieval, a pipeline that summarizes the retrieved passages after each hop into a single compact context. To model complex queries, we introduce a focused late interaction retriever that allows different parts of the same query representation to match disparate relevant passages. Lastly, to infer the hopping dependencies among unordered training passages, we devise latent hop ordering, a weak-supervision strategy in which the trained retriever itself selects the sequence of hops. We evaluate Baleen on retrieval for two-hop question answering and many-hop claim verification, establishing state-of-the-art performance.

We give a fast algorithm to compose privacy guarantees of differentially private (DP) algorithms to arbitrary accuracy. Our method is based on the notion of privacy loss random variables to quantify the privacy loss of DP algorithms. The running time and memory needed for our algorithm to approximate the privacy curve of a DP algorithm composed with itself $k$ times is $\tilde{O}(\sqrt{k})$. This improves over the best prior method by Koskela et al. (2020) which requires $\tilde{\Omega}(k^{1.5})$ running time. We demonstrate the utility of our algorithm by accurately computing the privacy loss of DP-SGD algorithm of Abadi et al. (2016) and showing that our algorithm speeds up the privacy computations by a few orders of magnitude compared to prior work, while maintaining similar accuracy.

We consider the problem of quantifying uncertainty for the estimation error of the leading eigenvector from Oja's algorithm for streaming principal component analysis, where the data are generated IID from some unknown distribution. By combining classical tools from the U-statistics literature with recent results on high-dimensional central limit theorems for quadratic forms of random vectors and concentration of matrix products, we establish a weighted $\chi^2$ approximation result for the $\sin^2$ error between the population eigenvector and the output of Oja’s algorithm. Since estimating the covariance matrix associated with the approximating distribution requires knowledge of unknown model parameters, we propose a multiplier bootstrap algorithm that may be updated in an online manner. We establish conditions under which the bootstrap distribution is close to the corresponding sampling distribution with high probability, thereby establishing the bootstrap as a consistent inferential method in an appropriate asymptotic regime.

Machine learning for understanding and editing source code has recently attracted significant interest, with many developments in new models, new code representations, and new tasks. This proliferation can appear disparate and disconnected, making each approach seemingly unique and incompatible, thus obscuring the core machine learning challenges and contributions. In this work, we demonstrate that the landscape can be significantly simplified by taking a general approach of mapping a graph to a sequence of tokens and pointers. Our main result is to show that 16 recently published tasks of different shapes can be cast in this form, based on which a single model architecture achieves near or above state-of-the-art results on nearly all tasks, outperforming custom models like code2seq and alternative generic models like Transformers. This unification further enables multi-task learning and a series of cross-cutting experiments about the importance of different modeling choices for code understanding and repair tasks. The full framework, called PLUR, is easily extensible to more tasks, and will be open-sourced (https://github.com/google-research/plur).

Motivated by the consideration of fairly sharing the cost of exploration between multiple groups in learning problems, we develop the Nash bargaining solution in the context of multi-armed bandits. Specifically, the 'grouped' bandit associated with any multi-armed bandit problem associates, with each time step, a single group from some finite set of groups. The utility gained by a given group under some learning policy is naturally viewed as the reduction in that group's regret relative to the regret that group would have incurred 'on its own'. We derive policies that yield the Nash bargaining solution relative to the set of incremental utilities possible under any policy. We show that on the one hand, the 'price of fairness' under such policies is limited, while on the other hand, regret optimal policies are arbitrarily unfair under generic conditions. Our theoretical development is complemented by a case study on contextual bandits for warfarin dosing where we are concerned with the cost of exploration across multiple races and age groups.

Deep neural networks (DNNs) have shown to perform very well on large scale object recognition problems and lead to widespread use for real-world applications, including situations where DNN are implemented as “black boxes”. A promising approach to secure their use is to accept decisions that are likely to be correct while discarding the others. In this work, we propose DOCTOR, a simple method that aims to identify whether the prediction of a DNN classifier should (or should not) be trusted so that, consequently, it would be possible to accept it or to reject it. Two scenarios are investigated: Totally Black Box (TBB) where only the soft-predictions are available and Partially Black Box (PBB) where gradient-propagation to perform input pre-processing is allowed. Empirically, we show that DOCTOR outperforms all state-of-the-art methods on various well-known images and sentiment analysis datasets. In particular, we observe a reduction of up to 4% of the false rejection rate (FRR) in the PBB scenario. DOCTOR can be applied to any pre-trained model, it does not require prior information about the underlying dataset and is as simple as the simplest available methods in the literature.

This paper develops a conformal method to compute prediction intervals for non-parametric regression that can automatically adapt to skewed data. Leveraging black-box machine learning algorithms to estimate the conditional distribution of the outcome using histograms, it translates their output into the shortest prediction intervals with approximate conditional coverage. The resulting prediction intervals provably have marginal coverage in finite samples, while asymptotically achieving conditional coverage and optimal length if the black-box model is consistent. Numerical experiments with simulated and real data demonstrate improved performance compared to state-of-the-art alternatives, including conformalized quantile regression and other distributional conformal prediction approaches.

Maximising a cumulative reward function that is Markov and stationary, i.e., defined over state-action pairs and independent of time, is sufficient to capture many kinds of goals in a Markov decision process (MDP). However, not all goals can be captured in this manner. In this paper we study convex MDPs in which goals are expressed as convex functions of the stationary distribution and show that they cannot be formulated using stationary reward functions. Convex MDPs generalize the standard reinforcement learning (RL) problem formulation to a larger framework that includes many supervised and unsupervised RL problems, such as apprenticeship learning, constrained MDPs, and so-called `pure exploration'. Our approach is to reformulate the convex MDP problem as a min-max game involving policy and cost (negative reward) `players', using Fenchel duality. We propose a meta-algorithm for solving this problem and show that it unifies many existing algorithms in the literature.

In this work, we investigate the expressiveness of the "conditional mutual information" (CMI) framework of Steinke and Zakynthinou (2020) and the prospect of using it to provide a unified framework for proving generalization bounds in the realizable setting. We first demonstrate that one can use this framework to express non-trivial (but sub-optimal) bounds for any learning algorithm that outputs hypotheses from a class of bounded VC dimension. We then explore two directions of strengthening this bound: (i) Can the CMI framework express optimal bounds for VC classes? (ii) Can the CMI framework be used to analyze algorithms whose output hypothesis space is unrestricted (i.e. has an unbounded VC dimension)? With respect to Item (i) we prove that the CMI framework yields the optimal bound on the expected risk of Support Vector Machines (SVMs) for learning halfspaces. This result is an application of our general result showing that stable compression schemes Bousquet al. (2020) of size $k$ have uniformly bounded CMI of order $O(k)$. We further show that an inherent limitation of proper learning of VC classes contradicts the existence of a proper learner with constant CMI, and it implies a negative resolution to an open problem of Steinke and Zakynthinou (2020). We further study the CMI of empirical risk minimizers (ERMs) of class $H$ and show that it is possible to output all consistent classifiers (version space) with bounded CMI if and only if $H$ has a bounded star number (Hanneke and Yang (2015)). With respect to Item (ii) we prove a general reduction showing that "leave-one-out" analysis is expressible via the CMI framework. As a corollary we investigate the CMI of the one-inclusion-graph algorithm proposed by Haussler et al. (1994). More generally, we show that the CMI framework is universal in the sense that for every consistent algorithm and data distribution, the expected risk vanishes as the number of samples diverges if and only if its evaluated CMI has sublinear growth with the number of samples.

Recent works on Bayesian neural networks (BNNs) have highlighted the need to better understand the implications of using Gaussian priors in combination with the compositional structure of the network architecture. Similar in spirit to the kind of analysis that has been developed to devise better initialization schemes for neural networks (cf. He- or Xavier initialization), we derive a precise characterization of the prior predictive distribution of finite-width ReLU networks with Gaussian weights. While theoretical results have been obtained for their heavy-tailedness, the full characterization of the prior predictive distribution (i.e. its density, CDF and moments), remained unknown prior to this work. Our analysis, based on the Meijer-G function, allows us to quantify the influence of architectural choices such as the width or depth of the network on the resulting shape of the prior predictive distribution. We also formally connect our results to previous work in the infinite width setting, demonstrating that the moments of the distribution converge to those of a normal log-normal mixture in the infinite depth limit. Finally, our results provide valuable guidance on prior design: for instance, controlling the predictive variance with depth- and width-informed priors on the weights of the network.

We introduce Habitat 2.0 (H2.0), a simulation platform for training virtual robots in interactive 3D environments and complex physics-enabled scenarios. We make comprehensive contributions to all levels of the embodied AI stack – data, simulation, and benchmark tasks. Specifically, we present: (i) ReplicaCAD: an artist-authored, annotated, reconfigurable 3D dataset of apartments (matching real spaces) with articulated objects (e.g. cabinets and drawers that can open/close); (ii) H2.0: a high-performance physics-enabled 3D simulator with speeds exceeding 25,000 simulation steps per second (850x real-time) on an 8-GPU node, representing 100x speed-ups over prior work; and, (iii) Home Assistant Benchmark (HAB): a suite of common tasks for assistive robots (tidy the house, stock groceries, set the table) that test a range of mobile manipulation capabilities. These large-scale engineering contributions allow us to systematically compare deep reinforcement learning (RL) at scale and classical sense-plan-act (SPA) pipelines in long-horizon structured tasks, with an emphasis on generalization to new objects, receptacles, and layouts. We find that (1) flat RL policies struggle on HAB compared to hierarchical ones; (2) a hierarchy with independent skills suffers from ‘hand-off problems’, and (3) SPA pipelines are more brittle than RL policies.

We present a novel neural surface reconstruction method, called NeuS, for reconstructing objects and scenes with high fidelity from 2D image inputs. Existing neural surface reconstruction approaches, such as DVR [Niemeyer et al., 2020] and IDR [Yariv et al., 2020], require foreground mask as supervision, easily get trapped in local minima, and therefore struggle with the reconstruction of objects with severe self-occlusion or thin structures. Meanwhile, recent neural methods for novel view synthesis, such as NeRF [Mildenhall et al., 2020] and its variants, use volume rendering to produce a neural scene representation with robustness of optimization, even for highly complex objects. However, extracting high-quality surfaces from this learned implicit representation is difficult because there are not sufficient surface constraints in the representation. In NeuS, we propose to represent a surface as the zero-level set of a signed distance function (SDF) and develop a new volume rendering method to train a neural SDF representation. We observe that the conventional volume rendering method causes inherent geometric errors (i.e. bias) for surface reconstruction, and therefore propose a new formulation that is free of bias in the first order of approximation, thus leading to more accurate surface reconstruction even without the mask supervision. Experiments on the DTU dataset and the BlendedMVS dataset show that NeuS outperforms the state-of-the-arts in high-quality surface reconstruction, especially for objects and scenes with complex structures and self-occlusion.