mtybilly/Instruct2DS huggingface dataset:
Two Sides of Meta-Learning Evaluation: In vs. Out of Distribution
Authors: Amrith Setlur, Oscar Li, Virginia Smith
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We categorize meta-learning evaluation into two settings: $\textit{in-distribution}$ [ID], in which the train and test tasks are sampled $\textit{iid}$ from the same underlying task distribution, and $\textit{out-of-distribution}$ [OOD], in which they are not. While most meta-learning theory and some FSL applications follow the ID setting, we identify that most existing few-shot classification benchmarks instead reflect OOD evaluation, as they use disjoint sets of train (base) and test (novel) classes for task generation. This discrepancy is problematic because -- as we show on numerous benchmarks -- meta-learning methods that perform better on existing OOD datasets may perform significantly worse in the ID setting. In addition, in the OOD setting, even though current FSL benchmarks seem befitting, our study highlights concerns in 1) reliably performing model selection for a given meta-learning method, and 2) consistently comparing the performance of different methods. To address these concerns, we provide suggestions on how to construct FSL benchmarks to allow for ID evaluation as well as more reliable OOD evaluation. Our work aims to inform the meta-learning community about the importance and distinction of ID vs. OOD evaluation, as well as the subtleties of OOD evaluation with current benchmarks.
Debiased Visual Question Answering from Feature and Sample Perspectives
Authors: Zhiquan Wen, Guanghui Xu, Mingkui Tan, Qingyao Wu, Qi Wu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Visual question answering (VQA) is designed to examine the visual-textual reasoning ability of an intelligent agent. However, recent observations show that many VQA models may only capture the biases between questions and answers in a dataset rather than showing real reasoning abilities. For example, given a question, some VQA models tend to output the answer that occurs frequently in the dataset and ignore the images. To reduce this tendency, existing methods focus on weakening the language bias. Meanwhile, only a few works also consider vision bias implicitly. However, these methods introduce additional annotations or show unsatisfactory performance. Moreover, not all biases are harmful to the models. Some “biases” learnt from datasets represent natural rules of the world and can help limit the range of answers. Thus, how to filter and remove the true negative biases in language and vision modalities remain a major challenge. In this paper, we propose a method named D-VQA to alleviate the above challenges from the feature and sample perspectives. Specifically, from the feature perspective, we build a question-to-answer and vision-to-answer branch to capture the language and vision biases, respectively. Next, we apply two unimodal bias detection modules to explicitly recognise and remove the negative biases. From the sample perspective, we construct two types of negative samples to assist the training of the models, without introducing additional annotations. Extensive experiments on the VQA-CP v2 and VQA v2 datasets demonstrate the effectiveness of our D-VQA method.
Towards a Unified Game-Theoretic View of Adversarial Perturbations and Robustness
Authors: Jie Ren, Die Zhang, Yisen Wang, Lu Chen, Zhanpeng Zhou, Yiting Chen, Xu Cheng, Xin Wang, Meng Zhou, Jie Shi, Quanshi Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: This paper provides a unified view to explain different adversarial attacks and defense methods, i.e. the view of multi-order interactions between input variables of DNNs. Based on the multi-order interaction, we discover that adversarial attacks mainly affect high-order interactions to fool the DNN. Furthermore, we find that the robustness of adversarially trained DNNs comes from category-specific low-order interactions. Our findings provide a potential method to unify adversarial perturbations and robustness, which can explain the existing robustness-boosting methods in a principle way. Besides, our findings also make a revision of previous inaccurate understanding of the shape bias of adversarially learned features. Our code is available online at https://github.com/Jie-Ren/A-Unified-Game-Theoretic-Interpretation-of-Adversarial-Robustness.
On the Out-of-distribution Generalization of Probabilistic Image Modelling
Authors: Mingtian Zhang, Andi Zhang, Steven McDonagh
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Out-of-distribution (OOD) detection and lossless compression constitute two problems that can be solved by the training of probabilistic models on a first dataset with subsequent likelihood evaluation on a second dataset, where data distributions differ. By defining the generalization of probabilistic models in terms of likelihood we show that, in the case of image models, the OOD generalization ability is dominated by local features. This motivates our proposal of a Local Autoregressive model that exclusively models local image features towards improving OOD performance. We apply the proposed model to OOD detection tasks and achieve state-of-the-art unsupervised OOD detection performance without the introduction of additional data. Additionally, we employ our model to build a new lossless image compressor: NeLLoC (Neural Local Lossless Compressor) and report state-of-the-art compression rates and model size.
Exploiting Local Convergence of Quasi-Newton Methods Globally: Adaptive Sample Size Approach
Authors: Qiujiang Jin, Aryan Mokhtari
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In this paper, we study the application of quasi-Newton methods for solving empirical risk minimization (ERM) problems defined over a large dataset. Traditional deterministic and stochastic quasi-Newton methods can be executed to solve such problems; however, it is known that their global convergence rate may not be better than first-order methods, and their local superlinear convergence only appears towards the end of the learning process. In this paper, we use an adaptive sample size scheme that exploits the superlinear convergence of quasi-Newton methods globally and throughout the entire learning process. The main idea of the proposed adaptive sample size algorithms is to start with a small subset of data points and solve their corresponding ERM problem within its statistical accuracy, and then enlarge the sample size geometrically and use the optimal solution of the problem corresponding to the smaller set as an initial point for solving the subsequent ERM problem with more samples. We show that if the initial sample size is sufficiently large and we use quasi-Newton methods to solve each subproblem, the subproblems can be solved superlinearly fast (after at most three iterations), as we guarantee that the iterates always stay within a neighborhood that quasi-Newton methods converge superlinearly. Numerical experiments on various datasets confirm our theoretical results and demonstrate the computational advantages of our method.
PDE-GCN: Novel Architectures for Graph Neural Networks Motivated by Partial Differential Equations
Authors: Moshe Eliasof, Eldad Haber, Eran Treister
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Graph neural networks are increasingly becoming the go-to approach in various fields such as computer vision, computational biology and chemistry, where data are naturally explained by graphs. However, unlike traditional convolutional neural networks, deep graph networks do not necessarily yield better performance than shallow graph networks. This behavior usually stems from the over-smoothing phenomenon. In this work, we propose a family of architecturesto control this behavior by design. Our networks are motivated by numerical methods for solving Partial Differential Equations (PDEs) on manifolds, and as such, their behavior can be explained by similar analysis. Moreover, as we demonstrate using an extensive set of experiments, our PDE-motivated networks can generalize and be effective for various types of problems from different fields. Our architectures obtain better or on par with the current state-of-the-art results for problems that are typically approached using different architectures.
Information Directed Reward Learning for Reinforcement Learning
Authors: David Lindner, Matteo Turchetta, Sebastian Tschiatschek, Kamil Ciosek, Andreas Krause
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: For many reinforcement learning (RL) applications, specifying a reward is difficult. In this paper, we consider an RL setting where the agent can obtain information about the reward only by querying an expert that can, for example, evaluate individual states or provide binary preferences over trajectories. From such expensive feedback, we aim to learn a model of the reward function that allows standard RL algorithms to achieve high expected return with as few expert queries as possible. For this purpose, we propose Information Directed Reward Learning (IDRL), which uses a Bayesian model of the reward function and selects queries that maximize the information gain about the difference in return between potentially optimal policies. In contrast to prior active reward learning methods designed for specific types of queries, IDRL naturally accommodates different query types. Moreover, by shifting the focus from reducing the reward approximation error to improving the policy induced by the reward model, it achieves similar or better performance with significantly fewer queries. We support our findings with extensive evaluations  in multiple environments and with different types of queries.
SSMF: Shifting Seasonal Matrix Factorization
Authors: Koki Kawabata, Siddharth Bhatia, Rui Liu, Mohit Wadhwa, Bryan Hooi
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Given taxi-ride counts information between departure and destination locations, how can we forecast their future demands? In general, given a data stream of events with seasonal patterns that innovate over time, how can we effectively and efficiently forecast future events? In this paper, we propose Shifting Seasonal Matrix Factorization approach, namely SSMF, that can adaptively learn multiple seasonal patterns (called regimes), as well as switching between them. Our proposed method has the following properties: (a) it accurately forecasts future events by detecting regime shifts in seasonal patterns as the data stream evolves; (b) it works in an online setting, i.e., processes each observation in constant time and memory; (c) it effectively realizes regime shifts without human intervention by using a lossless data compression scheme. We demonstrate that our algorithm outperforms state-of-the-art baseline methods by accurately forecasting upcoming events on three real-world data streams.
Associative Memories via Predictive Coding
Authors: Tommaso Salvatori, Yuhang Song, Yujian Hong, Lei Sha, Simon Frieder, Zhenghua Xu, Rafal Bogacz, Thomas Lukasiewicz
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Associative memories in the brain receive and store patterns of activity registered by the sensory neurons, and are able to retrieve them when necessary. Due to their importance in human intelligence, computational models of associative memories have been developed for several decades now. In this paper, we present a novel neural model for realizing associative memories, which is based on a hierarchical generative network that receives external stimuli via sensory neurons. It is trained using predictive coding, an error-based learning algorithm inspired by information processing in the cortex. To test the model's capabilities, we perform multiple retrieval experiments from both corrupted and incomplete data points. In an extensive comparison, we show that this new model outperforms in retrieval accuracy and robustness popular associative memory models, such as  autoencoders trained via backpropagation, and modern Hopfield networks. In particular, in completing partial data points, our model achieves remarkable results on natural image datasets, such as ImageNet, with a surprisingly high accuracy, even when only a tiny fraction of pixels of the original images is presented. Our model provides a plausible framework to study learning and retrieval of memories in the brain, as it closely mimics the behavior of the hippocampus as a memory index and generative model.
Robust and differentially private mean estimation
Authors: Xiyang Liu, Weihao Kong, Sham Kakade, Sewoong Oh
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In statistical learning and analysis from shared data, which is increasingly widely adopted in platforms such as federated learning and meta-learning, there are two major concerns: privacy and robustness. Each participating individual should be able to contribute without the fear of leaking one's sensitive information.  At the same time, the system should be robust in the presence of malicious participants inserting corrupted data. Recent algorithmic advances in learning from shared data focus on either one of these threats, leaving the system vulnerable to the other. We bridge this gap for the canonical problem of estimating the mean from i.i.d.~samples. We introduce PRIME, which is the first efficient algorithm that achieves both privacy and robustness for a wide range of distributions. We further complement this result with a novel exponential time algorithm that improves the sample complexity of PRIME, achieving a near-optimal guarantee and matching that of a known lower bound for (non-robust) private mean estimation. This proves that there is no extra statistical cost to simultaneously guaranteeing privacy and robustness.
Adaptable Agent Populations via a Generative Model of Policies
Authors: Kenneth Derek, Phillip Isola
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In the natural world, life has found innumerable ways to survive and often thrive. Between and even within species, each individual is in some manner unique, and this diversity lends adaptability and robustness to life. In this work, we aim to learn a space of diverse and high-reward policies in a given environment. To this end, we introduce a generative model of policies for reinforcement learning, which maps a low-dimensional latent space to an agent policy space. Our method enables learning an entire population of agent policies, without requiring the use of separate policy parameters. Just as real world populations can adapt and evolve via natural selection, our method is able to adapt to changes in our environment solely by selecting for policies in latent space. We test our generative model’s capabilities in a variety of environments, including an open-ended grid-world and a two-player soccer environment. Code, visualizations, and additional experiments can be found at https://kennyderek.github.io/adap/.
A No-go Theorem for Robust Acceleration in the Hyperbolic Plane
Authors: Linus Hamilton, Ankur Moitra
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In recent years there has been significant effort to adapt the key tools and ideas in convex optimization to the Riemannian setting. One key challenge has remained: Is there a Nesterov-like accelerated gradient method for geodesically convex functions on a Riemannian manifold? Recent work has given partial answers and the hope was that this ought to be possible. Here we prove that in a noisy setting, there is no analogue of accelerated gradient descent for geodesically convex functions on the hyperbolic plane. Our results apply even when the noise is exponentially small. The key intuition behind our proof is short and simple: In negatively curved spaces, the volume of a ball grows so fast that information about the past gradients is not useful in the future.
Privately Learning Mixtures of Axis-Aligned Gaussians
Authors: Ishaq Aden-Ali, Hassan Ashtiani, Christopher Liaw
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We consider the problem of learning multivariate Gaussians under the constraint of approximate differential privacy. We prove that $\widetilde{O}(k^2 d \log^{3/2}(1/\delta) / \alpha^2 \varepsilon)$ samples are sufficient to learn a mixture of $k$ axis-aligned Gaussians in $\mathbb{R}^d$ to within total variation distance $\alpha$ while satisfying $(\varepsilon, \delta)$-differential privacy. This is the first result for privately learning mixtures of unbounded axis-aligned (or even unbounded univariate) Gaussians. If the covariance matrices of each of the Gaussians is the identity matrix, we show that $\widetilde{O}(kd/\alpha^2 + kd \log(1/\delta) / \alpha \varepsilon)$ samples are sufficient.To prove our results, we design a new technique for privately learning mixture distributions.  A class of distributions $\mathcal{F}$ is said to be list-decodable if there is an algorithm that, given "heavily corrupted" samples from $f \in \mathcal{F}$, outputs a list of distributions one of which approximates $f$. We show that if $\mathcal{F}$ is privately list-decodable then we can learn mixtures of distributions in $\mathcal{F}$. Finally, we show axis-aligned Gaussian distributions are privately list-decodable, thereby proving mixtures of such distributions are privately learnable.
Deep Self-Dissimilarities as Powerful Visual Fingerprints
Authors: Idan Kligvasser, Tamar Shaham, Yuval Bahat, Tomer Michaeli
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Features extracted from deep layers of classification networks are widely used as image descriptors. Here, we exploit an unexplored property of these features: their internal dissimilarity. While small image patches are known to have similar statistics across image scales, it turns out that the internal distribution of deep features varies distinctively between scales. We show how this deep self dissimilarity (DSD) property can be used as a powerful visual fingerprint. Particularly, we illustrate that full-reference and no-reference image quality measures derived from DSD are highly correlated with human preference. In addition, incorporating DSD as a loss function in training of image restoration networks, leads to results that are at least as photo-realistic as those obtained by GAN based methods, while not requiring adversarial training.
Invariant Causal Imitation Learning for Generalizable Policies
Authors: Ioana Bica, Daniel Jarrett, Mihaela van der Schaar
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Consider learning an imitation policy on the basis of demonstrated behavior from multiple environments, with an eye towards deployment in an unseen environment. Since the observable features from each setting may be different, directly learning individual policies as mappings from features to actions is prone to spurious correlations---and may not generalize well. However, the expert’s policy is often a function of a shared latent structure underlying those observable features that is invariant across settings. By leveraging data from multiple environments, we propose Invariant Causal Imitation Learning (ICIL), a novel technique in which we learn a feature representation that is invariant across domains, on the basis of which we learn an imitation policy that matches expert behavior. To cope with transition dynamics mismatch, ICIL learns a shared representation of causal features (for all training environments), that is disentangled from the specific representations of noise variables (for each of those environments). Moreover, to ensure that the learned policy matches the observation distribution of the expert's policy, ICIL estimates the energy of the expert's observations and uses a regularization term that minimizes the imitator policy's next state energy. Experimentally, we compare our methods against several benchmarks in control and healthcare tasks and show its effectiveness in learning imitation policies capable of generalizing to unseen environments.
CoAtNet: Marrying Convolution and Attention for All Data Sizes
Authors: Zihang Dai, Hanxiao Liu, Quoc V Le, Mingxing Tan
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Transformers have attracted increasing interests in computer vision, but they still fall behind state-of-the-art convolutional networks. In this work, we show that while Transformers tend to have larger model capacity, their generalization can be worse than convolutional networks due to the lack of the right inductive bias. To effectively combine the strengths from both architectures, we present CoAtNets(pronounced "coat" nets), a family of hybrid models built from two key insights: (1) depthwise Convolution and self-Attention can be naturally unified via simple relative attention; (2) vertically stacking convolution layers and attention layers in a principled way is surprisingly effective in improving generalization, capacity and efficiency. Experiments show that our CoAtNets achieve state-of-the-art performance under different resource constraints across various datasets: Without extra data, CoAtNet achieves 86.0% ImageNet top-1 accuracy; When pre-trained with 13M images from ImageNet-21K, our CoAtNet achieves 88.56% top-1 accuracy, matching ViT-huge pre-trained with 300M images from JFT-300M while using 23x less data; Notably, when we further scale up CoAtNet with JFT-3B, it achieves 90.88% top-1 accuracy on ImageNet, establishing a new state-of-the-art result.
Mixed Supervised Object Detection by Transferring Mask Prior and Semantic Similarity
Authors: Yan Liu, Zhijie Zhang, Li Niu, Junjie Chen, Liqing Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Object detection has achieved promising success, but requires large-scale fully-annotated data, which is time-consuming and labor-extensive. Therefore, we consider object detection with mixed supervision, which learns novel object categories using weak annotations with the help of full annotations of existing base object categories. Previous works using mixed supervision mainly learn the class-agnostic objectness from fully-annotated categories, which can be transferred to upgrade the weak annotations to pseudo full annotations for novel categories. In this paper, we further transfer mask prior and semantic similarity to bridge the gap between novel categories and base categories. Specifically, the ability of using mask prior to help detect objects is learned from base categories and transferred to novel categories. Moreover, the semantic similarity between objects learned from base categories is transferred to denoise the pseudo full annotations for novel categories. Experimental results on three benchmark datasets demonstrate the effectiveness of our method over existing methods. Codes are available at https://github.com/bcmi/TraMaS-Weak-Shot-Object-Detection.
Celebrating Diversity in Shared Multi-Agent Reinforcement Learning
Authors: Chenghao Li, Tonghan Wang, Chengjie Wu, Qianchuan Zhao, Jun Yang, Chongjie Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recently, deep multi-agent reinforcement learning (MARL) has shown the promise to solve complex cooperative tasks. Its success is partly because of parameter sharing among agents. However, such sharing may lead agents to behave similarly and limit their coordination capacity. In this paper, we aim to introduce diversity in both optimization and representation of shared multi-agent reinforcement learning. Specifically, we propose an information-theoretical regularization to maximize the mutual information between agents' identities and their trajectories, encouraging extensive exploration and diverse individualized behaviors. In representation, we incorporate agent-specific modules in the shared neural network architecture, which are regularized by L1-norm to promote learning sharing among agents while keeping necessary diversity. Empirical results show that our method achieves state-of-the-art performance on Google Research Football and super hard StarCraft II micromanagement tasks.
Rebounding Bandits for Modeling Satiation Effects
Authors: Liu Leqi, Fatma Kilinc Karzan, Zachary Lipton, Alan Montgomery
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Psychological research shows that enjoyment of many goods is subject to satiation, with short-term satisfaction declining after repeated exposures to the same item. Nevertheless, proposed algorithms for powering recommender systems seldom model these dynamics, instead proceeding as though user preferences were fixed in time. In this work, we introduce rebounding bandits, a multi-armed bandit setup, where satiation dynamics are modeled as time-invariant linear dynamical systems. Expected rewards for each arm decline monotonically with consecutive exposures and rebound towards the initial reward whenever that arm is not pulled. Unlike classical bandit algorithms, methods for tackling rebounding bandits must plan ahead and model-based methods rely on estimating the parameters of the satiation dynamics. We characterize the planning problem, showing that the greedy policy is optimal when the arms exhibit identical deterministic dynamics. To address stochastic satiation dynamics with unknown parameters, we propose Explore-Estimate-Plan, an algorithm that pulls arms methodically, estimates the system dynamics, and then plans accordingly.
Sample Complexity of Tree Search Configuration: Cutting Planes and Beyond
Authors: Maria-Florina F Balcan, Siddharth Prasad, Tuomas Sandholm, Ellen Vitercik
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Cutting-plane methods have enabled remarkable successes in integer programming over the last few decades. State-of-the-art solvers integrate a myriad of cutting-plane techniques to speed up the underlying tree-search algorithm used to find optimal solutions. In this paper we provide sample complexity bounds for cut-selection in branch-and-cut (B&C). Given a training set of integer programs sampled from an application-specific input distribution and a family of cut selection policies, these guarantees bound the number of samples sufficient to ensure that using any policy in the family, the size of the tree B&C builds on average over the training set is close to the expected size of the tree B&C builds. We first bound the sample complexity of learning cutting planes from the canonical family of Chvátal-Gomory cuts. Our bounds handle any number of waves of any number of cuts and are fine tuned to the magnitudes of the constraint coefficients. Next, we prove sample complexity bounds for more sophisticated cut selection policies that use a combination of scoring rules to choose from a family of cuts. Finally, beyond the realm of cutting planes for integer programming, we develop a general abstraction of tree search that captures key components such as node selection and variable selection. For this abstraction, we bound the sample complexity of learning a good policy for building the search tree.
IQ-Learn: Inverse soft-Q Learning for Imitation
Authors: Divyansh Garg, Shuvam Chakraborty, Chris Cundy, Jiaming Song, Stefano Ermon
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In many sequential decision-making problems (e.g., robotics control, game playing, sequential prediction), human or expert data is available containing useful information about the task. However, imitation learning (IL) from a small amount of expert data can be challenging in high-dimensional environments with complex dynamics. Behavioral cloning is a simple method that is widely used due to its simplicity of implementation and stable convergence but doesn't utilize any information involving the environment’s dynamics. Many existing methods that exploit dynamics information are difficult to train in practice due to an adversarial optimization process over reward and policy approximators or biased, high variance gradient estimators. We introduce a method for dynamics-aware IL which avoids adversarial training by learning a single Q-function, implicitly representing both reward and policy. On standard benchmarks, the implicitly learned rewards show a high positive correlation with the ground-truth rewards, illustrating our method can also be used for inverse reinforcement learning (IRL). Our method, Inverse soft-Q learning (IQ-Learn) obtains state-of-the-art results in offline and online imitation learning settings, significantly outperforming existing methods both in the number of required environment interactions and scalability in high-dimensional spaces, often by more than 3x.
Task-Agnostic Undesirable Feature Deactivation Using Out-of-Distribution Data
Authors: Dongmin Park, Hwanjun Song, Minseok Kim, Jae-Gil Lee
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: A deep neural network (DNN) has achieved great success in many machine learning tasks by virtue of its high expressive power. However, its prediction can be easily biased to undesirable features, which are not essential for solving the target task and are even imperceptible to a human, thereby resulting in poor generalization. Leveraging plenty of undesirable features in out-of-distribution (OOD) examples has emerged as a potential solution for de-biasing such features, and a recent study shows that softmax-level calibration of OOD examples can successfully remove the contribution of undesirable features to the last fully-connected layer of a classifier. However, its applicability is confined to the classification task, and its impact on a DNN feature extractor is not properly investigated. In this paper, we propose Taufe, a novel regularizer that deactivates many undesirable features using OOD examples in the feature extraction layer and thus removes the dependency on the task-specific softmax layer. To show the task-agnostic nature of Taufe, we rigorously validate its performance on three tasks, classification, regression, and a mix of them, on CIFAR-10, CIFAR-100, ImageNet, CUB200, and CAR datasets. The results demonstrate that Taufe consistently outperforms the state-of-the-art method as well as the baselines without regularization.
Private Non-smooth ERM and SCO in Subquadratic Steps
Authors: Janardhan Kulkarni, Yin Tat Lee, Daogao Liu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study the differentially private Empirical Risk Minimization (ERM) and Stochastic Convex Optimization (SCO) problems for non-smooth convex functions. We get a (nearly) optimal bound on the excess empirical risk for ERM with $O(\frac{N^{3/2}}{d^{1/8}}+ \frac{N^2}{d})$ gradient queries, which is achieved with the help of subsampling and smoothing the function via convolution. Combining this result with the iterative localization technique of Feldman et al. \cite{fkt20}, we achieve the optimal excess population loss for the SCO problem with $O(\min\{N^{5/4}d^{1/8},\frac{ N^{3/2}}{d^{1/8}}\})$ gradient queries.Our work makes progress towards resolving a question raised by Bassily et al. \cite{bfgt20}, giving first algorithms for private SCO with subquadratic steps. In a concurrent work, Asi et al. \cite{afkt21} gave other algorithms for private ERM and SCO with subquadratic steps.
Towards Instance-Optimal Offline Reinforcement Learning with Pessimism
Authors: Ming Yin, Yu-Xiang Wang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study the \emph{offline reinforcement learning}  (offline RL) problem, where the goal is to learn a reward-maximizing policy in an unknown \emph{Markov Decision Process} (MDP) using the data coming from a policy $\mu$. In particular, we consider the sample complexity problems of offline RL for the finite horizon MDPs. Prior works derive the information-theoretical lower bounds based on different data-coverage assumptions and their upper bounds are expressed by the covering coefficients which lack the explicit characterization of system quantities. In this work, we analyze the \emph{Adaptive Pessimistic Value Iteration} (APVI) algorithm and derive the suboptimality upper bound that nearly matches\[O\left(\sum_{h=1}^H\sum_{s_h,a_h}d^{\pi^\star}_h(s_h,a_h)\sqrt{\frac{\mathrm{Var}_{P_{s_h,a_h}}{(V^\star_{h+1}+r_h)}}{d^\mu_h(s_h,a_h)}}\sqrt{\frac{1}{n}}\right).\]We also prove an information-theoretical lower bound to show this quantity is required under the weak assumption that $d^\mu_h(s_h,a_h)>0$ if $d^{\pi^\star}_h(s_h,a_h)>0$. Here $\pi^\star$ is a optimal policy, $\mu$ is the behavior policy and $d(s_h,a_h)$ is the marginal state-action probability. We call this adaptive bound the \emph{intrinsic offline reinforcement learning bound} since it directly implies all the existing optimal results: minimax rate under uniform data-coverage assumption, horizon-free setting, single policy concentrability, and the tight problem-dependent results. Later, we extend the result to the \emph{assumption-free} regime (where we make no assumption on $\mu$) and obtain the assumption-free intrinsic bound. Due to its generic form, we believe the intrinsic bound could help illuminate what makes a specific problem hard and reveal the fundamental challenges in offline RL.
Speedy Performance Estimation for Neural Architecture Search
Authors: Robin Ru, Clare Lyle, Lisa Schut, Miroslav Fil, Mark van der Wilk, Yarin Gal
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Reliable yet efficient evaluation of generalisation performance of a proposed architecture is crucial to the success of neural architecture search (NAS). Traditional approaches face a variety of limitations: training each architecture to completion is prohibitively expensive, early stopped validation accuracy may correlate poorly with fully trained performance, and model-based estimators require large training sets. We instead propose to estimate the final test performance based on a simple measure of training speed. Our estimator is theoretically motivated by the connection between generalisation and training speed, and is also inspired by the reformulation of a PAC-Bayes bound under the Bayesian setting. Our model-free estimator is simple, efficient, and cheap to implement, and does not require hyperparameter-tuning or surrogate training before deployment. We demonstrate on various NAS search spaces that our estimator consistently outperforms other alternatives in achieving better correlation with the true test performance rankings. We further show that our estimator can be easily incorporated into both query-based and one-shot NAS methods to improve the speed or quality of the search.
How Tight Can PAC-Bayes be in the Small Data Regime?
Authors: Andrew Foong, Wessel Bruinsma, David Burt, Richard Turner
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: 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.
Dynamic Analysis of Higher-Order Coordination in Neuronal Assemblies via De-Sparsified Orthogonal Matching Pursuit
Authors: Shoutik Mukherjee, Behtash Babadi
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Coordinated ensemble spiking activity is widely observable in neural recordings and central in the study of population codes, with hypothesized roles including robust stimulus representation, interareal communication of neural information, and learning and memory formation. Model-free measures of synchrony characterize the coherence of pairwise activity, but not higher-order interactions; this limitation is transcended by statistical models of ensemble spiking activity. However, existing model-based analyses often impose assumptions about the relevance of higher-order interactions and require multiple repeated trials in order to characterize dynamics in the correlational structure of ensemble activity. To address these shortcomings, we propose an adaptive greedy filtering algorithm based on a discretized mark point-process model of ensemble spiking and a corresponding precise statistical inference framework to identify significant coordinated higher-order spiking activity. In the course of developing the statistical inference procedures, we also show that confidence intervals can be constructed for greedily estimated parameters. We demonstrate the utility of our proposed methods on simulated neuronal assemblies. Applied to multi-electrode recordings of human cortical ensembles, our proposed methods provide new insights into the dynamics underlying localized population activity during transitions between brain states.
Efficient Training of Retrieval Models using Negative Cache
Authors: Erik Lindgren, Sashank Reddi, Ruiqi Guo, Sanjiv Kumar
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Factorized models, such as two tower neural network models, are widely used for scoring (query, document) pairs in information retrieval tasks. These models are typically trained by optimizing the model parameters to score relevant positive" pairs higher than the irrelevantnegative" ones. While a large set of negatives typically improves the model performance, limited computation and memory budgets place constraints on the number of negatives used during training. In this paper, we develop a novel negative sampling technique for accelerating training with softmax cross-entropy loss. By using cached (possibly stale) item embeddings, our technique enables training with a large pool of negatives with reduced memory and computation. We also develop a streaming variant of our algorithm geared towards very large datasets. Furthermore, we establish a theoretical basis for our approach by showing that updating a very small fraction of the cache at each iteration can still ensure fast convergence. Finally, we experimentally validate our approach and show that it is efficient and compares favorably with more complex, state-of-the-art approaches.
Understanding Partial Multi-Label Learning via Mutual Information
Authors: Xiuwen Gong, Dong Yuan, Wei Bao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: To deal with ambiguities in partial multilabel learning (PML), state-of-the-art methods perform disambiguation by identifying ground-truth labels directly. However, there is an essential question:“Can the ground-truth labels be identified precisely?". If yes, “How can the ground-truth labels be found?". This paper provides affirmative answers to these questions. Instead of adopting hand-made heuristic strategy, we propose a novel Mutual Information Label Identification for Partial Multilabel Learning (MILI-PML), which is derived from a clear probabilistic formulation and could be easily interpreted theoretically from the mutual information perspective, as well as naturally incorporates the feature/label relevancy considerations. Extensive experiments on synthetic and real-world datasets clearly demonstrate the superiorities of the proposed MILI-PML.
Environment Generation for Zero-Shot Compositional Reinforcement Learning
Authors: Izzeddin Gur, Natasha Jaques, Yingjie Miao, Jongwook Choi, Manoj Tiwari, Honglak Lee, Aleksandra Faust
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Many real-world problems are compositional – solving them requires completing interdependent sub-tasks, either in series or in parallel, that can be represented as a dependency graph. Deep reinforcement learning (RL) agents often struggle to learn such complex tasks due to the long time horizons and sparse rewards. To address this problem, we present Compositional Design of Environments (CoDE), which trains a Generator agent to automatically build a series of compositional tasks tailored to the RL agent’s current skill level. This automatic curriculum not only enables the agent to learn more complex tasks than it could have otherwise, but also selects tasks where the agent’s performance is weak, enhancing its robustness and ability to generalize zero-shot to unseen tasks at test-time. We analyze why current environment generation techniques are insufficient for the problem of generating compositional tasks, and propose a new algorithm that addresses these issues. Our results assess learning and generalization across multiple compositional tasks, including the real-world problem of learning to navigate and interact with web pages. We learn to generate environments composed of multiple pages or rooms, and train RL agents capable of completing wide-range of complex tasks in those environments. We contribute two new benchmark frameworks for generating compositional tasks, compositional MiniGrid and gMiniWoB for web navigation. CoDE yields 4x higher success rate than the strongest baseline, and demonstrates strong performance of real websites learned on 3500 primitive tasks.
Optimizing Conditional Value-At-Risk of Black-Box Functions
Authors: Quoc Phong Nguyen, Zhongxiang Dai, Bryan Kian Hsiang Low, Patrick Jaillet
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: This paper presents two Bayesian optimization (BO) algorithms with theoretical performance guarantee to maximize the conditional value-at-risk (CVaR) of a black-box function: CV-UCB and CV-TS which are based on the well-established principle of optimism in the face of uncertainty and Thompson sampling, respectively. To achieve this, we develop an upper confidence bound of CVaR and prove the no-regret guarantee of CV-UCB by utilizing an interesting connection between CVaR and value-at-risk (VaR). For CV-TS, though it is straightforwardly performed with Thompson sampling, bounding its Bayesian regret is non-trivial because it requires a tail expectation bound for the distribution of CVaR of a black-box function, which has not been shown in the literature. The performances of both CV-UCB and CV-TS are empirically evaluated in optimizing CVaR of synthetic benchmark functions and simulated real-world optimization problems.
E(n) Equivariant Normalizing Flows
Authors: Victor Garcia Satorras, Emiel Hoogeboom, Fabian Fuchs, Ingmar Posner, Max Welling
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential equation to obtain an invertible equivariant function: a continuous-time normalizing flow. We demonstrate that E-NFs considerably outperform baselines and existing methods from the literature on particle systems such as DW4 and LJ13, and on molecules from QM9 in terms of log-likelihood. To the best of our knowledge, this is the first flow that jointly generates molecule features and positions in 3D.
Revitalizing CNN Attention via Transformers in Self-Supervised Visual Representation Learning
Authors: Chongjian GE, Youwei Liang, YIBING SONG, Jianbo Jiao, Jue Wang, Ping Luo
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Studies on self-supervised visual representation learning (SSL) improve encoder backbones to discriminate training samples without labels. While CNN encoders via SSL achieve comparable recognition performance to those via supervised learning, their network attention is under-explored for further improvement. Motivated by the transformers that explore visual attention effectively in recognition scenarios, we propose a CNN Attention REvitalization (CARE) framework to train attentive CNN encoders guided by transformers in SSL. The proposed CARE framework consists of a CNN stream (C-stream) and a transformer stream (T-stream), where each stream contains two branches. C-stream follows an existing SSL framework with two CNN encoders, two projectors, and a predictor. T-stream contains two transformers, two projectors, and a predictor. T-stream connects to CNN encoders and is in parallel to the remaining C-Stream. During training, we perform SSL in both streams simultaneously and use the T-stream output to supervise C-stream. The features from CNN encoders are modulated in T-stream for visual attention enhancement and become suitable for the SSL scenario. We use these modulated features to supervise C-stream for learning attentive CNN encoders. To this end, we revitalize CNN attention by using transformers as guidance. Experiments on several standard visual recognition benchmarks, including image classification, object detection, and semantic segmentation, show that the proposed CARE framework improves CNN encoder backbones to the state-of-the-art performance.