NeurIPS 2021 Papers

In traditional software programs, it is easy to trace program logic from variables back to input, apply assertion statements to block erroneous behavior, and compose programs together. Although deep learning programs have demonstrated strong performance on novel applications, they sacrifice many of the functionalities of traditional software programs. With this as motivation, we take a modest first step towards improving deep learning programs by jointly training a generative model to constrain neural network activations to "decode" back to inputs. We call this design a Decodable Neural Network, or DecNN. Doing so enables a form of compositionality in neural networks, where one can recursively compose DecNN with itself to create an ensemble-like model with uncertainty. In our experiments, we demonstrate applications of this uncertainty to out-of-distribution detection, adversarial example detection, and calibration --- while matching standard neural networks in accuracy. We further explore this compositionality by combining DecNN with pretrained models, where we show promising results that neural networks can be regularized from using protected features.

Evaluating adversarial robustness amounts to finding the minimum perturbation needed to have an input sample misclassified. The inherent complexity of the underlying optimization requires current gradient-based attacks to be carefully tuned, initialized, and possibly executed for many computationally-demanding iterations, even if specialized to a given perturbation model. In this work, we overcome these limitations by proposing a fast minimum-norm (FMN) attack that works with different $\ell_p$-norm perturbation models ($p=0, 1, 2, \infty$), is robust to hyperparameter choices, does not require adversarial starting points, and converges within few lightweight steps. It works by iteratively finding the sample misclassified with maximum confidence within an $\ell_p$-norm constraint of size $\epsilon$, while adapting $\epsilon$ to minimize the distance of the current sample to the decision boundary. Extensive experiments show that FMN significantly outperforms existing $\ell_0$, $\ell_1$, and $\ell_\infty$-norm attacks in terms of perturbation size, convergence speed and computation time, while reporting comparable performances with state-of-the-art $\ell_2$-norm attacks. Our open-source code is available at: https://github.com/pralab/Fast-Minimum-Norm-FMN-Attack.

Model-based reinforcement learning aims to improve the sample efficiency of policy learning by modeling the dynamics of the environment. Recently, the latent dynamics model is further developed to enable fast planning in a compact space. It summarizes the high-dimensional experiences of an agent, which mimics the memory function of humans. Learning policies via imagination with the latent model shows great potential for solving complex tasks. However, only considering memories from the true experiences in the process of imagination could limit its advantages. Inspired by the memory prosthesis proposed by neuroscientists, we present a novel model-based reinforcement learning framework called Imagining with Derived Memory (IDM). It enables the agent to learn policy from enriched diverse imagination with prediction-reliability weight, thus improving sample efficiency and policy robustness. Experiments on various high-dimensional visual control tasks in the DMControl benchmark demonstrate that IDM outperforms previous state-of-the-art methods in terms of policy robustness and further improves the sample efficiency of the model-based method.

An important goal of AutoML is to automate-away the design of neural networks on new tasks in under-explored domains. Motivated by this goal, we study the problem of enabling users to discover the right neural operations given data from their specific domain. We introduce a search space of operations called XD-Operations that mimic the inductive bias of standard multi-channel convolutions while being much more expressive: we prove that it includes many named operations across multiple application areas. Starting with any standard backbone such as ResNet, we show how to transform it into a search space over XD-operations and how to traverse the space using a simple weight sharing scheme. On a diverse set of tasks—solving PDEs, distance prediction for protein folding, and music modeling—our approach consistently yields models with lower error than baseline networks and often even lower error than expert-designed domain-specific approaches.

Due to the broad range of applications of reinforcement learning (RL), understanding the effects of adversarial attacks against RL model is essential for the safe applications of this model. Prior theoretical works on adversarial attacks against RL mainly focus on either reward poisoning attacks or environment poisoning attacks. In this paper, we introduce a new class of attacks named action poisoning attacks, where an adversary can change the action signal selected by the agent. Compared with existing attack models, the attacker’s ability in the proposed action poisoning attack model is more restricted, which brings some design challenges. We study the action poisoning attack in both white-box and black-box settings. We introduce an adaptive attack scheme called LCB-H, which works for most RL agents in the black-box setting. We prove that LCB-H attack can force any efficient RL agent, whose dynamic regret scales sublinearly with the total number of steps taken, to choose actions according to a policy selected by the attacker very frequently, with only sublinear cost. In addition, we apply LCB-H attack against a very popular model-free RL algorithm: UCB-H. We show that, even in black-box setting, by spending only logarithm cost, the proposed LCB-H attack scheme can force the UCB-H agent to choose actions according to the policy selected by the attacker very frequently.

We study private synthetic data generation for query release, where the goal is to construct a sanitized version of a sensitive dataset, subject to differential privacy, that approximately preserves the answers to a large collection of statistical queries. We first present an algorithmic framework that unifies a long line of iterative algorithms in the literature. Under this framework, we propose two new methods. The first method, private entropy projection (PEP), can be viewed as an advanced variant of MWEM that adaptively reuses past query measurements to boost accuracy. Our second method, generative networks with the exponential mechanism (GEM), circumvents computational bottlenecks in algorithms such as MWEM and PEP by optimizing over generative models parameterized by neural networks, which capture a rich family of distributions while enabling fast gradient-based optimization. We demonstrate that PEP and GEM empirically outperform existing algorithms. Furthermore, we show that GEM nicely incorporates prior information from public data while overcoming limitations of PMW^Pub, the existing state-of-the-art method that also leverages public data.

We propose the particle dual averaging (PDA) method, which generalizes the dual averaging method in convex optimization to the optimization over probability distributions with quantitative runtime guarantee. The algorithm consists of an inner loop and outer loop: the inner loop utilizes the Langevin algorithm to approximately solve for a stationary distribution, which is then optimized in the outer loop. The method can be interpreted as an extension of the Langevin algorithm to naturally handle nonlinear functional on the probability space. An important application of the proposed method is the optimization of neural network in the mean field regime, which is theoretically attractive due to the presence of nonlinear feature learning, but quantitative convergence rate can be challenging to obtain. By adapting finite-dimensional convex optimization theory into the space of measures, we not only establish global convergence of PDA for two-layer mean field neural networks under more general settings and simpler analysis, but also provide quantitative polynomial runtime guarantee. Our theoretical results are supported by numerical simulations on neural networks with reasonable size.

Interpreting Deep Reinforcement Learning (DRL) models is important to enhance trust and comply with transparency regulations. Existing methods typically explain a DRL model by visualizing the importance of low-level input features with super-pixels, attentions, or saliency maps. Our approach provides an interpretation based on high-level latent object features derived from a disentangled representation. We propose a Represent And Mimic (RAMi) framework for training 1) an identifiable latent representation to capture the independent factors of variation for the objects and 2) a mimic tree that extracts the causal impact of the latent features on DRL action values. To jointly optimize both the fidelity and the simplicity of a mimic tree, we derive a novel Minimum Description Length (MDL) objective based on the Information Bottleneck (IB) principle. Based on this objective, we describe a Monte Carlo Regression Tree Search (MCRTS) algorithm that explores different splits to find the IB-optimal mimic tree. Experiments show that our mimic tree achieves strong approximation performance with significantly fewer nodes than baseline models. We demonstrate the interpretability of our mimic tree by showing latent traversals, decision rules, causal impacts, and human evaluation results.

The effectiveness of unsupervised domain adaptation degrades when there is a large discrepancy between the source and target domains. Gradual domain adaption (GDA) is one promising way to mitigate such an issue, by leveraging additional unlabeled data that gradually shift from the source to the target. Through sequentially adapting the model along the "indexed" intermediate domains, GDA substantially improves the overall adaptation performance. In practice, however, the extra unlabeled data may not be separated into intermediate domains and indexed properly, limiting the applicability of GDA. In this paper, we investigate how to discover the sequence of intermediate domains when it is not already available. Concretely, we propose a coarse-to-fine framework, which starts with a coarse domain discovery step via progressive domain discriminator training. This coarse domain sequence then undergoes a fine indexing step via a novel cycle-consistency loss, which encourages the next intermediate domain to preserve sufficient discriminative knowledge of the current intermediate domain. The resulting domain sequence can then be used by a GDA algorithm. On benchmark data sets of GDA, we show that our approach, which we name Intermediate DOmain Labeler (IDOL), can lead to comparable or even better adaptation performance compared to the pre-defined domain sequence, making GDA more applicable and robust to the quality of domain sequences. Codes are available at https://github.com/hongyouc/IDOL.

We study a class of classification problems best exemplified by the \emph{bank loan} problem, where a lender decides whether or not to issue a loan. The lender only observes whether a customer will repay a loan if the loan is issued to begin with, and thus modeled decisions affect what data is available to the lender for future decisions. As a result, it is possible for the lender's algorithm to ``get stuck'' with a self-fulfilling model. This model never corrects its false negatives, since it never sees the true label for rejected data, thus accumulating infinite regret. In the case of linear models, this issue can be addressed by adding optimism directly into the model predictions. However, there are few methods that extend to the function approximation case using Deep Neural Networks. We present Pseudo-Label Optimism (PLOT), a conceptually and computationally simple method for this setting applicable to DNNs. \PLOT{} adds an optimistic label to the subset of decision points the current model is deciding on, trains the model on all data so far (including these points along with their optimistic labels), and finally uses the resulting \emph{optimistic} model for decision making. \PLOT{} achieves competitive performance on a set of three challenging benchmark problems, requiring minimal hyperparameter tuning. We also show that \PLOT{} satisfies a logarithmic regret guarantee, under a Lipschitz and logistic mean label model, and under a separability condition on the data.

A fundamental assumption of reinforcement learning in Markov decision processes (MDPs) is that the relevant decision process is, in fact, Markov. However, when MDPs have rich observations, agents typically learn by way of an abstract state representation, and such representations are not guaranteed to preserve the Markov property. We introduce a novel set of conditions and prove that they are sufficient for learning a Markov abstract state representation. We then describe a practical training procedure that combines inverse model estimation and temporal contrastive learning to learn an abstraction that approximately satisfies these conditions. Our novel training objective is compatible with both online and offline training: it does not require a reward signal, but agents can capitalize on reward information when available. We empirically evaluate our approach on a visual gridworld domain and a set of continuous control benchmarks. Our approach learns representations that capture the underlying structure of the domain and lead to improved sample efficiency over state-of-the-art deep reinforcement learning with visual features---often matching or exceeding the performance achieved with hand-designed compact state information.

In this paper, we investigate the question: _Given a small number of datapoints, for example $N = 30$, how tight can PAC-Bayes and test set bounds be made?_ For such small datasets, test set bounds adversely affect generalisation performance by withholding data from the training procedure. In this setting, PAC-Bayes bounds are especially attractive, due to their ability to use all the data to simultaneously learn a posterior and bound its generalisation risk. We focus on the case of i.i.d. data with a bounded loss and consider the generic PAC-Bayes theorem of Germain et al. While their theorem is known to recover many existing PAC-Bayes bounds, it is unclear what the tightest bound derivable from their framework is. For a fixed learning algorithm and dataset, we show that the tightest possible bound coincides with a bound considered by Catoni; and, in the more natural case of distributions over datasets, we establish a lower bound on the best bound achievable in expectation. Interestingly, this lower bound recovers the Chernoff test set bound if the posterior is equal to the prior. Moreover, to illustrate how tight these bounds can be, we study synthetic one-dimensional classification tasks in which it is feasible to meta-learn both the prior and the form of the bound to numerically optimise for the tightest bounds possible. We find that in this simple, controlled scenario, PAC-Bayes bounds are competitive with comparable, commonly used Chernoff test set bounds. However, the sharpest test set bounds still lead to better guarantees on the generalisation error than the PAC-Bayes bounds we consider.

Due to the discrete nature of words, language GANs require to be optimized from rewards provided by discriminator networks, via reinforcement learning methods. This is a much harder setting than for continuous tasks, which enjoy gradient flows from discriminators to generators, usually leading to dramatic learning instabilities. However, we claim that this can be solved by making discriminator and generator networks cooperate to produce output sequences during training. These cooperative outputs, inherently built to obtain higher discrimination scores, not only provide denser rewards for training but also form a more compact artificial set for discriminator training, hence improving its accuracy and stability. In this paper, we show that our SelfGAN framework, built on this cooperative principle, outperforms Teacher Forcing and obtains state-of-the-art results on two challenging tasks, Summarization and Question Generation.

The paradigm of differentiable programming has significantly enhanced the scope of machine learning via the judicious use of gradient-based optimization. However, standard differentiable programming methods (such as autodiff) typically require that the machine learning models be differentiable, limiting their applicability. Our goal in this paper is to use a new, principled approach to extend gradient-based optimization to functions well modeled by splines, which encompass a large family of piecewise polynomial models. We derive the form of the (weak) Jacobian of such functions and show that it exhibits a block-sparse structure that can be computed implicitly and efficiently. Overall, we show that leveraging this redesigned Jacobian in the form of a differentiable "layer'' in predictive models leads to improved performance in diverse applications such as image segmentation, 3D point cloud reconstruction, and finite element analysis. We also open-source the code at \url{https://github.com/idealab-isu/DSA}.

Semi-supervised learning (SSL) algorithms have had great success in recent years in limited labeled data regimes. However, the current state-of-the-art SSL algorithms are computationally expensive and entail significant compute time and energy requirements. This can prove to be a huge limitation for many smaller companies and academic groups. Our main insight is that training on a subset of unlabeled data instead of entire unlabeled data enables the current SSL algorithms to converge faster, significantly reducing computational costs. In this work, we propose RETRIEVE, a coreset selection framework for efficient and robust semi-supervised learning. RETRIEVE selects the coreset by solving a mixed discrete-continuous bi-level optimization problem such that the selected coreset minimizes the labeled set loss. We use a one-step gradient approximation and show that the discrete optimization problem is approximately submodular, enabling simple greedy algorithms to obtain the coreset. We empirically demonstrate on several real-world datasets that existing SSL algorithms like VAT, Mean-Teacher, FixMatch, when used with RETRIEVE, achieve a) faster training times, b) better performance when unlabeled data consists of Out-of-Distribution (OOD) data and imbalance. More specifically, we show that with minimal accuracy degradation, RETRIEVE achieves a speedup of around $3\times$ in the traditional SSL setting and achieves a speedup of $5\times$ compared to state-of-the-art (SOTA) robust SSL algorithms in the case of imbalance and OOD data. RETRIEVE is available as a part of the CORDS toolkit: https://github.com/decile-team/cords.

Large pretrained language models (LMs) like BERT have improved performance in many disparate natural language processing (NLP) tasks. However, fine tuning such models requires a large number of training examples for each target task. Simultaneously, many realistic NLP problems are "few shot", without a sufficiently large training set. In this work, we propose a novel conditional neural process-based approach for few-shot text classification that learns to transfer from other diverse tasks with rich annotation. Our key idea is to represent each task using gradient information from a base model and to train an adaptation network that modulates a text classifier conditioned on the task representation. While previous task-aware few-shot learners represent tasks by input encoding, our novel task representation is more powerful, as the gradient captures input-output relationships of a task. Experimental results show that our approach outperforms traditional fine-tuning, sequential transfer learning, and state-of-the-art meta learning approaches on a collection of diverse few-shot tasks. We further conducted analysis and ablations to justify our design choices.

Model smoothing is of central importance for obtaining a reliable teacher model in the student-teacher framework, where the teacher generates surrogate supervision signals to train the student. A popular model smoothing method is the Temporal Moving Average (TMA), which continuously averages the teacher parameters with the up-to-date student parameters. In this paper, we propose ''Spatial Ensemble'', a novel model smoothing mechanism in parallel with TMA. Spatial Ensemble randomly picks up a small fragment of the student model to directly replace the corresponding fragment of the teacher model. Consequentially, it stitches different fragments of historical student models into a unity, yielding the ''Spatial Ensemble'' effect. Spatial Ensemble obtains comparable student-teacher learning performance by itself and demonstrates valuable complementarity with temporal moving average. Their integration, named Spatial-Temporal Smoothing, brings general (sometimes significant) improvement to the student-teacher learning framework on a variety of state-of-the-art methods. For example, based on the self-supervised method BYOL, it yields +0.9% top-1 accuracy improvement on ImageNet, while based on the semi-supervised approach FixMatch, it increases the top-1 accuracy by around +6% on CIFAR-10 when only few training labels are available. Codes and models are available at: https://github.com/tengteng95/Spatial_Ensemble.

We present an approach for generating natural language explanations of high-level behavior of autonomous agents navigating in partially-revealed environments. Our counterfactual explanations communicate changes to interpratable statistics of the belief (e.g., the likelihood an exploratory action will reach the unseen goal) that are estimated from visual input via a deep neural network and used (via a Bellman equation variant) to inform planning far into the future. Additionally, our novel training procedure mimics explanation generation, allowing us to use planning performance as an objective measure of explanation quality. Simulated experiments validate that our explanations are both high quality and can be used in interventions to directly correct bad behavior; agents trained via our training-by-explaining procedure achieve 9.1% lower average cost than a non-learned baseline (12.7% after interventions) in environments derived from real-world floor plans.

COVID-19 pandemic has caused unprecedented negative impacts on our society, including further exposing inequity and disparity in public health. To study the impact of socioeconomic factors on COVID transmission, we first propose a spatial-temporal model to examine the socioeconomic heterogeneity and spatial correlation of COVID-19 transmission at the community level. Second, to assess the individual risk of severe COVID-19 outcomes after a positive diagnosis, we propose a dynamic, varying-coefficient model that integrates individual-level risk factors from electronic health records (EHRs) with community-level risk factors. The underlying neighborhood prevalence of infections (both symptomatic and pre-symptomatic) predicted from the previous spatial-temporal model is included in the individual risk assessment so as to better capture the background risk of virus exposure for each individual. We design a weighting scheme to mitigate multiple selection biases inherited in EHRs of COVID patients. We analyze COVID transmission data in New York City (NYC, the epicenter of the first surge in the United States) and EHRs from NYC hospitals, where time-varying effects of community risk factors and significant interactions between individual- and community-level risk factors are detected. By examining the socioeconomic disparity of infection risks and interaction among the risk factors, our methods can assist public health decision-making and facilitate better clinical management of COVID patients.