mtybilly/Instruct2DS huggingface dataset:
End-to-End Weak Supervision
Authors: Benedikt Boecking, Artur Dubrawski Salva Rühling Cachay
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Aggregating multiple sources of weak supervision (WS) can ease the data-labeling bottleneck prevalent in many machine learning applications, by replacing the tedious manual collection of ground truth labels. Current state of the art approaches that do not use any labeled training data, however, require two separate modeling steps: Learning a probabilistic latent variable model based on the WS sources -- making assumptions that rarely hold in practice -- followed by downstream model training. Importantly, the first step of modeling does not consider the performance of the downstream model.To address these caveats we propose an end-to-end approach for directly learning the downstream model by maximizing its agreement with probabilistic labels generated by reparameterizing previous probabilistic posteriors with a neural network. Our results show improved performance over prior work in terms of end model performance on downstream test sets, as well as in terms of improved robustness to dependencies among weak supervision sources.
Shift Invariance Can Reduce Adversarial Robustness
Authors: Songwei Ge, Basri Ronen, David Jacobs Vasu Singla
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Shift invariance is a critical property of CNNs that improves performance on classification.  However, we show that invariance to circular shifts can also lead to greater sensitivity to adversarial attacks.  We first characterize the margin between classes when a shift-invariant {\em linear} classifier is used. We show that the margin can only depend on the DC component of the signals.  Then, using results about infinitely wide networks, we show that in some simple cases, fully connected and shift-invariant neural networks produce linear decision boundaries.  Using this, we prove that shift invariance in neural networks produces adversarial examples for the simple case of two classes, each consisting of a single image with a black or white dot on a gray background.  This is more than a curiosity; we show empirically that with real datasets and realistic architectures, shift invariance reduces adversarial robustness.  Finally, we describe initial experiments using synthetic data to probe the source of this connection.
Wisdom of the Crowd Voting: Truthful Aggregation of Voter Information and Preferences
Authors: Biaoshuai Tao Grant Schoenebeck
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We consider two-alternative elections where voters' preferences depend on a state variable that is not directly observable. Each voter receives a private signal that is correlated to the state variable. As a special case, our model captures the common scenario where voters can be categorized into three types: those who always prefer one alternative, those who always prefer the other, and those contingent voters whose preferences depends on the state.  In this setting, even if every voter is a contingent voter, agents voting according to their private information need not result in the adoption of the universally preferred alternative, because the signals can be systematically biased.We present a mechanism that elicits and aggregates the private signals from the voters, and outputs the alternative that is favored by the majority.  In particular, voters truthfully reporting their signals forms a strong Bayes Nash equilibrium (where no coalition of voters can deviate and receive a better outcome).
Replay-Guided Adversarial Environment Design
Authors: Michael Dennis, Jack Parker-Holder, Jakob Foerster, Edward Grefenstette, Tim Rocktäschel Minqi Jiang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Deep reinforcement learning (RL) agents may successfully generalize to new settings if trained on an appropriately diverse set of environment and task configurations. Unsupervised Environment Design (UED) is a promising self-supervised RL paradigm, wherein the free parameters of an underspecified environment are automatically adapted during training to the agent's capabilities, leading to the emergence of diverse training environments. Here, we cast Prioritized Level Replay (PLR), an empirically successful but theoretically unmotivated method that selectively samples randomly-generated training levels, as UED. We argue that by curating completely random levels, PLR, too, can generate novel and complex levels for effective training. This insight reveals a natural class of UED methods we call Dual Curriculum Design (DCD). Crucially, DCD includes both PLR and a popular UED algorithm, PAIRED, as special cases and inherits similar theoretical guarantees. This connection allows us to develop novel theory for PLR, providing a version with a robustness guarantee at Nash equilibria. Furthermore, our theory suggests a highly counterintuitive improvement to PLR: by stopping the agent from updating its policy on uncurated levels (training on less data), we can improve the convergence to Nash equilibria. Indeed, our experiments confirm that our new method, PLR$^{\perp}$, obtains better results on a suite of out-of-distribution, zero-shot transfer tasks, in addition to demonstrating that PLR$^{\perp}$ improves the performance of PAIRED, from which it inherited its theoretical framework.
There Is No Turning Back: A Self-Supervised Approach for Reversibility-Aware Reinforcement Learning
Authors: Johan Ferret, Olivier Pietquin, philippe preux, Matthieu Geist Nathan Grinsztajn
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We propose to learn to distinguish reversible from irreversible actions for better informed decision-making in Reinforcement Learning (RL). From theoretical considerations, we show that approximate reversibility can be learned through a simple surrogate task: ranking randomly sampled trajectory events in chronological order. Intuitively, pairs of events that are always observed in the same order are likely to be separated by an irreversible sequence of actions. Conveniently, learning the temporal order of events can be done in a fully self-supervised way, which we use to estimate the reversibility of actions from experience, without any priors.We propose two different strategies that incorporate reversibility in RL agents, one strategy for exploration (RAE) and one strategy for control (RAC). We demonstrate the potential of reversibility-aware agents in several environments, including the challenging Sokoban game. In synthetic tasks, we show that we can learn control policies that never fail and reduce to zero the side-effects of interactions, even without access to the reward function.
Learning to Execute: Efficient Learning of Universal Plan-Conditioned Policies in Robotics
Authors: Danny Driess, Ozgur S. Oguz, Marc Toussaint Ingmar Schubert
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Applications of Reinforcement Learning (RL) in robotics are often limited by high data demand. On the other hand, approximate models are readily available in many robotics scenarios, making model-based approaches like planning a data-efficient alternative. Still, the performance of these methods suffers if the model is imprecise or wrong. In this sense, the respective strengths and weaknesses of RL and model-based planners are complementary. In the present work, we investigate how both approaches can be integrated into one framework that combines their strengths. We introduce Learning to Execute (L2E), which leverages information contained in approximate plans to learn universal policies that are conditioned on plans. In our robotic manipulation experiments, L2E exhibits increased performance when compared to pure RL, pure planning, or baseline methods combining learning and planning.
Self-Diagnosing GAN: Diagnosing Underrepresented Samples in Generative Adversarial Networks
Authors: Haeri Kim, Youngkyu Hong, Hye Won Chung Jinhee Lee
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Despite remarkable performance in producing realistic samples, Generative Adversarial Networks (GANs) often produce low-quality samples near low-density regions of the data manifold, e.g., samples of minor groups. Many techniques have been developed to improve the quality of generated samples, either by post-processing generated samples or by pre-processing the empirical data distribution, but at the cost of reduced diversity. To promote diversity in sample generation without degrading the overall quality, we propose a simple yet effective method to diagnose and emphasize underrepresented samples during training of a GAN. The main idea is to use the statistics of the discrepancy between the data distribution and the model distribution at each data instance. Based on the observation that the underrepresented samples have a high average discrepancy or high variability in discrepancy, we propose a method to emphasize those samples during training of a GAN. Our experimental results demonstrate that the proposed method improves GAN performance on various datasets, and it is especially effective in improving the quality and diversity of sample generation for minor groups.
Online Multi-Armed Bandits with Adaptive Inference
Authors: Zhimei Ren, Zhengyuan Zhou Maria Dimakopoulou
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: During online decision making in Multi-Armed Bandits (MAB), one needs to conduct inference on the true mean reward of each arm based on data collected so far at each step. However, since the arms are adaptively selected--thereby yielding non-iid data--conducting inference accurately is not straightforward. In particular, sample averaging, which is used in the family of UCB and Thompson sampling (TS) algorithms, does not provide a good choice as it suffers from bias and a lack of good statistical properties (e.g.  asymptotic normality). Our thesis in this paper is that more sophisticated inference schemes that take into account the adaptive nature of the sequentially collected data can unlock further performance gains, even though both UCB and TS type algorithms are optimal in the worst case. In particular, we propose a variant of TS-style algorithms--which we call doubly adaptive TS--that leverages recent advances in causal inference and adaptively reweights the terms of a doubly robust estimator on the true mean reward of each arm. Through 20 synthetic domain experiments and a semi-synthetic experiment based on data from an A/B test of a web service, we demonstrate that using an adaptive inferential scheme (while still retaining the exploration efficacy of TS) provides clear benefits in online decision making: the proposed DATS algorithm has superior empirical performance to existing baselines (UCB and TS) in terms of regret and sample complexity in identifying the best arm. In addition, we also provide a finite-time regret bound of doubly adaptive TS that matches (up to log factors) those of UCB and TS algorithms, thereby establishing that its improved practical benefits do not come at the expense of worst-case suboptimality.
Efficient Truncated Linear Regression with Unknown Noise Variance
Authors: Patroklos Stefanou, Rui Yao, Emmanouil Zampetakis Constantinos Daskalakis
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Truncated linear regression is a classical challenge in Statistics, wherein a label, $y = w^T x + \varepsilon$, and its corresponding feature vector, $x \in \mathbb{R}^k$, are only observed if the label falls in some subset $S \subseteq \mathbb{R}$; otherwise the existence of the pair $(x, y)$ is hidden from observation. Linear regression with truncated observations has remained a challenge, in its general form, since the early works of [Tobin'58, Amemiya '73]. When the distribution of the error is normal with known variance, recent work of [Daskalakis et al. '19] provides computationally and statistically efficient estimators of the linear model, $w$. In this paper, we provide the first computationally and statistically efficient estimators for truncated linear regression when the noise variance is unknown, estimating both the linear model and the variance of the noise. Our estimator is based on an efficient implementation of Projected Stochastic Gradient Descent on the negative log-likelihood of the truncated sample. Importantly, we show that the error of our estimates is asymptotically normal, and we use this to provide explicit confidence regions for our estimates.
Breaking the Dilemma of Medical Image-to-image Translation
Authors: Chenyu Lian, Detian Huang, zhenjiang li, Yanle Hu, Qichao Zhou Lingke Kong
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Supervised Pix2Pix and unsupervised Cycle-consistency are two modes that dominate the field of medical image-to-image translation. However, neither modes are ideal. The Pix2Pix mode has excellent performance. But it requires paired and well pixel-wise aligned images, which may not always be achievable due to respiratory motion or anatomy change between times that paired images are acquired. The Cycle-consistency mode is less stringent with training data and works well on unpaired or misaligned images. But its performance may not be optimal. In order to break the dilemma of the existing modes, we propose a new unsupervised mode called RegGAN for medical image-to-image translation. It is based on the theory of "loss-correction". In RegGAN, the misaligned target images are considered as noisy labels and the generator is trained with an additional registration network to fit the misaligned noise distribution adaptively. The goal is to search for the common optimal solution to both image-to-image translation and registration tasks. We incorporated RegGAN into a few state-of-the-art image-to-image translation methods and demonstrated that RegGAN could be easily combined with these methods to improve their performances. Such as a simple CycleGAN in our mode surpasses latest NICEGAN even though using less network parameters. Based on our results, RegGAN outperformed both Pix2Pix on aligned data and Cycle-consistency on misaligned or unpaired data. RegGAN is insensitive to noises which makes it a better choice for a wide range of scenarios, especially for medical image-to-image translation tasks in which well pixel-wise aligned data are not available. Code and dataset are available at https://github.com/Kid-Liet/Reg-GAN.
Temporally Abstract Partial Models
Authors: Zafarali Ahmed, Gheorghe Comanici, Doina Precup Khimya Khetarpal
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Humans and animals have the ability to reason and make predictions about different courses of action at many time scales. In reinforcement learning, option models (Sutton, Precup \& Singh, 1999; Precup, 2000) provide the framework for this kind of temporally abstract prediction and reasoning. Natural intelligent agents are also able to focus their attention on courses of action that are relevant or feasible in a given situation, sometimes termed affordable actions. In this paper, we define a notion of affordances for options, and develop temporally abstract partial option models, that take into account the fact that an option might be affordable only in certain situations. We analyze the trade-offs between estimation and approximation error in planning and learning when using such models, and identify some interesting special cases. Additionally, we empirically demonstrate the ability to learn both affordances and partial option models online resulting in improved sample efficiency and planning time in the Taxi domain.
TransMatcher: Deep Image Matching Through Transformers for Generalizable Person Re-identification
Authors: Ling Shao Shengcai Liao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Transformers have recently gained increasing attention in computer vision. However, existing studies mostly use Transformers for feature representation learning, e.g. for image classification and dense predictions, and the generalizability of Transformers is unknown. In this work, we further investigate the possibility of applying Transformers for image matching and metric learning given pairs of images. We find that the Vision Transformer (ViT) and the vanilla Transformer with decoders are not adequate for image matching due to their lack of image-to-image attention. Thus, we further design two naive solutions, i.e. query-gallery concatenation in ViT, and query-gallery cross-attention in the vanilla Transformer. The latter improves the performance, but it is still limited. This implies that the attention mechanism in Transformers is primarily designed for global feature aggregation, which is not naturally suitable for image matching. Accordingly, we propose a new simplified decoder, which drops the full attention implementation with the softmax weighting, keeping only the query-key similarity computation. Additionally, global max pooling and a multilayer perceptron (MLP) head are applied to decode the matching result. This way, the simplified decoder is computationally more efficient, while at the same time more effective for image matching. The proposed method, called TransMatcher, achieves state-of-the-art performance in generalizable person re-identification, with up to 6.1% and 5.7% performance gains in Rank-1 and mAP, respectively, on several popular datasets. Code is available at https://github.com/ShengcaiLiao/QAConv.
Multi-Objective SPIBB: Seldonian Offline Policy Improvement with Safety Constraints in Finite MDPs
Authors: Philip S. Thomas, Joelle Pineau, Romain Laroche harsh satija
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study the problem of Safe Policy Improvement (SPI) under constraints in the offline Reinforcement Learning (RL) setting. We consider the scenario where: (i) we have a dataset collected under a known baseline policy, (ii) multiple reward signals are received from the environment inducing as many objectives to optimize. We present an SPI formulation for this RL setting that takes into account the preferences of the algorithm’s user for handling the trade-offs for different reward signals while ensuring that the new policy performs at least as well as the baseline policy along each individual objective. We build on traditional SPI algorithms and propose a novel method based on Safe Policy Iteration with Baseline Bootstrapping (SPIBB, Laroche et al., 2019) that provides high probability guarantees on the performance of the agent in the true environment. We show the effectiveness of our method on a synthetic grid-world safety task as well as in a real-world critical care context to learn a policy for the administration of IV fluids and vasopressors to treat sepsis.
Is Automated Topic Model Evaluation Broken? The Incoherence of Coherence
Authors: Pranav Goel, Andrew Hian-Cheong, Denis Peskov, Jordan Boyd-Graber, Philip Resnik Alexander Hoyle
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Topic model evaluation, like evaluation of other unsupervised methods, can be contentious. However, the field has coalesced around automated estimates of topic coherence, which rely on the frequency of word co-occurrences in a reference corpus. Contemporary neural topic models surpass classical ones according to these metrics. At the same time, topic model evaluation suffers from a validation gap: automated coherence, developed for classical models, has not been validated using human experimentation for neural models. In addition, a meta-analysis of topic modeling literature reveals a substantial standardization gap in automated topic modeling benchmarks. To address the validation gap, we compare automated coherence with the two most widely accepted human judgment tasks: topic rating and word intrusion. To address the standardization gap, we systematically evaluate a dominant classical model and two state-of-the-art neural models on two commonly used datasets. Automated evaluations declare a winning model when corresponding human evaluations do not, calling into question the validity of fully automatic evaluations independent of human judgments.
INDIGO: GNN-Based Inductive Knowledge Graph Completion Using Pair-Wise Encoding
Authors: Bernardo Grau, Ian Horrocks, Egor Kostylev Shuwen Liu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The aim of knowledge graph (KG) completion is to extend an incomplete KG with missing triples. Popular approaches based on graph embeddings typically work by first representing the KG in a vector space, and then applying a predefined scoring function to the resulting vectors to complete the KG. These approaches work well in transductive settings, where predicted triples involve only constants seen during training; however, they are not applicable in inductive settings, where the KG on which the model was trained is extended with new constants or merged with other KGs. The use of Graph Neural Networks (GNNs) has recently been proposed as a way to overcome these limitations; however, existing approaches do not fully exploit the capabilities of GNNs and still rely on heuristics and ad-hoc scoring functions. In this paper, we propose a novel approach, where the KG is fully encoded into a GNN in a transparent way, and where the predicted triples can be read out directly from the last layer of the GNN without the need for additional components or scoring functions. Our experiments show that our model outperforms state-of-the-art approaches on inductive KG completion benchmarks.
Do Input Gradients Highlight Discriminative Features?
Authors: Prateek Jain, Praneeth Netrapalli Harshay Shah
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients—gradients of logits with respect to input—noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach:1. We develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A).2. We then introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models.3. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A).Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.
Improving Conditional Coverage via Orthogonal Quantile Regression
Authors: Stephen Bates, Yaniv Romano Shai Feldman
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We develop a method to generate prediction intervals that have a user-specified coverage level across all regions of feature-space, a property called conditional coverage. A typical approach to this task is to estimate the conditional quantiles with quantile regression---it is well-known that this leads to correct coverage in the large-sample limit, although it may not be accurate in finite samples. We find in experiments that traditional quantile regression can have poor conditional coverage. To remedy this, we modify the loss function to promote independence between the size of the intervals and the indicator of a miscoverage event. For the true conditional quantiles, these two quantities are independent (orthogonal), so the modified loss function continues to be valid. Moreover, we empirically show that the modified loss function leads to improved conditional coverage, as evaluated by several metrics. We also introduce two new metrics that check conditional coverage by looking at the strength of the dependence between the interval size and the indicator of miscoverage.
Minimizing Polarization and Disagreement in Social Networks via Link Recommendation
Authors: Qi Bao, Zhongzhi Zhang Liwang Zhu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Individual's opinions are fundamentally shaped  and evolved by their interactions with other people, and social phenomena such as disagreement and polarization are now tightly woven into daily life. The quantification and optimization of these concepts have been the subject of much recent research behind a wealth of high-impact data mining applications. In particular, researchers have addressed the question of how such concepts can be optimized by influencing the opinion of a small number of individuals or by designing the network from scratch.Here, rather than  a “design-from-scratch” approach or altering the initial opinion, we study the optimization problem of recommending $k$ new links to minimize the sum of polarization and disagreement in a social network with $n$ nodes and $m$ edges.  We show that our objective function of this combinatorial optimization problem is not submodular, although it is monotone. We propose a simple greedy algorithm with a constant-factor approximation that  solves the problem in cubic running time, and we provide  theoretical analysis of the approximation guarantee for the algorithm. To overcome the computation challenge for large networks, we also provide a fast algorithm with computation complexity $\Otil (mk\eps^{-2})$ for any $\eps>0$,  where the $\Otil (\cdot)$ notation suppresses the ${\rm poly} (\log n)$ factors. Extensive experiments on real datasets demonstrate both the efficiency and effectiveness of our algorithms.
Adversarial Attacks on Black Box Video Classifiers: Leveraging the Power of Geometric Transformations
Authors: Abhishek Aich, Shitong Zhu, Salman Asif, Chengyu Song, Amit Roy-Chowdhury, Srikanth Krishnamurthy Shasha Li
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: When compared to the image classification models, black-box adversarial attacks against video classification models have been largely understudied. This could be possible because, with video, the temporal dimension poses significant additional challenges in gradient estimation. Query-efficient black-box attacks rely on effectively estimated gradients towards maximizing the probability of misclassifying the target video. In this work, we demonstrate that such effective gradients can be searched for by parameterizing the temporal structure of the search space with geometric transformations. Specifically, we design a novel iterative algorithm GEOmetric TRAnsformed Perturbations (GEO-TRAP), for attacking video classification models. GEO-TRAP employs standard geometric transformation operations to reduce the search space for effective gradients into searching for a small group of parameters that define these operations. This group of parameters describes the geometric progression of gradients, resulting in a reduced and structured search space. Our algorithm inherently leads to successful perturbations with surprisingly few queries. For example, adversarial examples generated from GEO-TRAP have better attack success rates with ~73.55% fewer queries compared to the state-of-the-art method for video adversarial attacks on the widely used Jester dataset. Overall, our algorithm exposes vulnerabilities of diverse video classification models and achieves new state-of-the-art results under black-box settings on two large datasets.
Optimal Rates for Random Order Online Optimization
Authors: Tomer Koren, Yishay Mansour Uri Sherman
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study online convex optimization in the random order model, recently proposed by Garber et al. (2020), where the loss functions may be chosen by an adversary, but are then presented to the online algorithm in a uniformly random order. Focusing on the scenario where the cumulative loss function is (strongly) convex, yet individual loss functions are smooth but might be non-convex, we give algorithms that achieve the optimal bounds and significantly outperform the results of Garber et al. (2020), completely removing the dimension dependence and improve their scaling with respect to the strong convexity parameter. Our analysis relies on novel connections between algorithmic stability and generalization for sampling without-replacement analogous to those studied in the with-replacement i.i.d. setting, as well as on a refined average stability analysis of stochastic gradient descent.
Discrete-Valued Neural Communication
Authors: Alex M Lamb, Kenji Kawaguchi, Anirudh Goyal ALIAS PARTH GOYAL, Chen Sun, Michael Mozer, Yoshua Bengio Dianbo Liu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Deep learning has advanced from fully connected architectures to structured models organized into components, e.g., the transformer composed of positional elements, modular architectures divided into slots, and graph neural nets made up of nodes. The nature of structured models is that communication among the components has a bottleneck, typically achieved by restricted connectivity and attention. In this work, we further tighten the bottleneck via discreteness of the representations transmitted between components. We hypothesize that this constraint serves as a useful form of inductive bias. Our hypothesis is motivated by past empirical work showing the benefits of discretization in non-structured architectures as well as our own theoretical results showing that discretization increases noise robustness and reduces the underlying dimensionality of the model. Building on an existing technique for discretization from the VQ-VAE, we consider multi-headed discretization with shared codebooks as the output of each architectural component. One motivating intuition is human language in which communication occurs through multiple discrete symbols. This form of communication is hypothesized to facilitate transmission of information between functional components of the brain by providing a common interlingua, just as it does for human-to-human communication. Our experiments show that discrete-valued neural communication (DVNC) substantially improves systematic generalization in a variety of architectures—transformers, modular architectures, and graph neural networks. We also show that the DVNC is robust to the choice of hyperparameters, making the method useful in practice.
Skyformer: Remodel Self-Attention with Gaussian Kernel and Nystr\"om Method
Authors: Qi Zeng, Heng Ji, Yun Yang Yifan Chen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Transformers are expensive to train due to the quadratic time and space complexity in the self-attention mechanism. On the other hand, although kernel machines suffer from the same computation bottleneck in pairwise dot products, several approximation schemes have been successfully incorporated to considerably reduce their computational cost without sacrificing too much accuracy. In this work, we leverage the computation methods for kernel machines to alleviate the high computational cost and introduce Skyformer, which replaces the softmax structure with a Gaussian kernel to stabilize the model training and adapts the Nyström method to a non-positive semidefinite matrix to accelerate the computation. We further conduct theoretical analysis by showing that the matrix approximation error of our proposed method is small in the spectral norm. Experiments on Long Range Arena benchmark show that the proposed method is sufficient in getting comparable or even better performance than the full self-attention while requiring fewer computation resources.
TransMIL: Transformer based Correlated Multiple Instance Learning for Whole Slide Image Classification
Authors: Hao Bian, Yang Chen, Yifeng Wang, Jian Zhang, Xiangyang Ji, yongbing zhang Zhuchen Shao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Multiple instance learning (MIL) is a powerful tool to solve the weakly supervised classification in whole slide image (WSI) based pathology diagnosis. However, the current MIL methods are usually based on independent and identical distribution hypothesis, thus neglect the correlation among different instances. To address this problem, we proposed a new framework, called correlated MIL, and provided a proof for convergence. Based on this framework, we devised a Transformer based MIL (TransMIL), which explored both morphological and spatial information. The proposed TransMIL can effectively deal with unbalanced/balanced and binary/multiple classification with great visualization and interpretability. We conducted various experiments for three different computational pathology problems and achieved better performance and faster convergence compared with state-of-the-art methods. The test AUC for the binary tumor classification can be up to 93.09% over CAMELYON16 dataset. And the AUC over the cancer subtypes classification can be up to 96.03% and 98.82% over TCGA-NSCLC dataset and TCGA-RCC dataset, respectively. Implementation is available at: https://github.com/szc19990412/TransMIL.
Multi-view Contrastive Graph Clustering
Authors: Zhao Kang ErLin Pan
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: With the explosive growth of information technology, multi-view graph data have become increasingly prevalent and valuable. Most existing multi-view clustering techniques either focus on the scenario of multiple graphs or multi-view attributes. In this paper, we propose a generic framework to cluster multi-view attributed graph data. Specifically, inspired by the success of contrastive learning, we propose multi-view contrastive graph clustering (MCGC) method to learn a consensus graph since the original graph could be noisy or incomplete and is not directly applicable. Our method composes of two key steps: we first filter out the undesirable high-frequency noise while preserving the graph geometric features via graph filtering and obtain a smooth representation of nodes; we then learn a consensus graph regularized by graph contrastive loss. Results on several benchmark datasets show the superiority of our method with respect to state-of-the-art approaches. In particular, our simple approach outperforms existing deep learning-based methods.
Inverse-Weighted Survival Games
Authors: Mark Goldstein, Aahlad Puli, Thomas Wies, Adler J. Perotte, Rajesh Ranganath Xintian Han
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Deep models trained through maximum likelihood have achieved state-of-the-art results for survival analysis. Despite this training scheme, practitioners evaluate models under other criteria, such as binary classification losses at a chosen set of time horizons, e.g. Brier score (BS) and Bernoulli log likelihood (BLL). Models trained with maximum likelihood may have poor BS or BLL since maximum likelihood does not directly optimize these criteria. Directly optimizing criteria like BS requires inverse-weighting by the censoring distribution. However, estimating the censoring model under these metrics requires inverse-weighting by the failure distribution. The objective for each model requires the other, but neither are known. To resolve this dilemma, we introduce Inverse-Weighted Survival Games. In these games, objectives for each model are built from re-weighted estimates featuring the other model, where the latter is held fixed during training. When the loss is proper, we show that the games always have the true failure and censoring distributions as a stationary point. This means models in the game do not leave the correct distributions once reached. We construct one case where this stationary point is unique. We show that these games optimize BS on simulations and then apply these principles on real world cancer and critically-ill patient data.
Generalization Bounds for Meta-Learning via PAC-Bayes and Uniform Stability
Authors: Anirudha Majumdar Alec Farid
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We are motivated by the problem of providing strong generalization guarantees in the context of meta-learning. Existing generalization bounds are either challenging to evaluate or provide vacuous guarantees in even relatively simple settings. We derive a probably approximately correct (PAC) bound for gradient-based meta-learning using two different generalization frameworks in order to deal with the qualitatively different challenges of generalization at the "base" and "meta" levels. We employ bounds for uniformly stable algorithms at the base level and bounds from the PAC-Bayes framework at the meta level. The result of this approach is a novel PAC bound that is tighter when the base learner adapts quickly, which is precisely the goal of meta-learning. We show that our bound provides a tighter guarantee than other bounds on a toy non-convex problem on the unit sphere and a text-based classification example. We also present a practical regularization scheme motivated by the bound in settings where the bound is loose and demonstrate improved performance over baseline techniques.
Parallel Bayesian Optimization of Multiple Noisy Objectives with Expected Hypervolume Improvement
Authors: Maximilian Balandat, Eytan Bakshy Samuel Daulton
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Optimizing multiple competing black-box objectives is a challenging problem in many fields, including science, engineering, and machine learning. Multi-objective Bayesian optimization (MOBO) is a sample-efficient approach for identifying the optimal trade-offs between the objectives. However, many existing methods perform poorly when the observations are corrupted by noise. We propose a novel acquisition function, NEHVI, that overcomes this important practical limitation by applying a Bayesian treatment to the popular expected hypervolume improvement (EHVI) criterion and integrating over this uncertainty in the Pareto frontier. We argue that, even in the noiseless setting, generating multiple candidates in parallel is an incarnation of EHVI with uncertainty in the Pareto frontier and therefore can be addressed using the same underlying technique. Through this lens, we derive a natural parallel variant, qNEHVI, that reduces computational complexity of parallel EHVI from exponential to polynomial with respect to the batch size. qNEHVI is one-step Bayes-optimal for hypervolume maximization in both noisy and noiseless environments, and we show that it can be optimized effectively with gradient-based methods via sample average approximation. Empirically, we demonstrate not only that qNEHVI is substantially more robust to observation noise than existing MOBO approaches, but also that it achieves state-of-the-art optimization performance and competitive wall-times in large-batch environments.
Evolution Gym: A Large-Scale Benchmark for Evolving Soft Robots
Authors: Holly Jackson, Yunsheng Tian, Jie Xu, Wojciech Matusik Jagdeep Bhatia
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Both the design and control of a robot play equally important roles in its task performance. However, while optimal control is well studied in the machine learning and robotics community, less attention is placed on finding the optimal robot design. This is mainly because co-optimizing design and control in robotics is characterized as a challenging problem, and more importantly, a comprehensive evaluation benchmark for co-optimization does not exist. In this paper, we propose Evolution Gym, the first large-scale benchmark for co-optimizing the design and control of soft robots. In our benchmark, each robot is composed of different types of voxels (e.g., soft, rigid, actuators), resulting in a modular and expressive robot design space. Our benchmark environments span a wide range of tasks, including locomotion on various types of terrains and manipulation. Furthermore, we develop several robot co-evolution algorithms by combining state-of-the-art design optimization methods and deep reinforcement learning techniques. Evaluating the algorithms on our benchmark platform, we observe robots exhibiting increasingly complex behaviors as evolution progresses, with the best evolved designs solving many of our proposed tasks. Additionally, even though robot designs are evolved autonomously from scratch without prior knowledge, they often grow to resemble existing natural creatures while outperforming hand-designed robots. Nevertheless, all tested algorithms fail to find robots that succeed in our hardest environments. This suggests that more advanced algorithms are required to explore the high-dimensional design space and evolve increasingly intelligent robots -- an area of research in which we hope Evolution Gym will accelerate progress. Our website with code, environments, documentation, and tutorials is available at http://evogym.csail.mit.edu/.
On Calibration and Out-of-Domain Generalization
Authors: Amir Feder, Daniel Greenfeld, Uri Shalit Yoav Wald
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Out-of-domain (OOD) generalization is a significant challenge for machine learning models. Many techniques have been proposed to overcome this challenge, often focused on learning models with certain invariance properties. In this work, we draw a link between OOD performance and model calibration, arguing that calibration across multiple domains can be viewed as a special case of an invariant representation leading to better OOD generalization. Specifically, we show that under certain conditions, models which achieve \emph{multi-domain calibration} are provably free of spurious correlations. This leads us to propose multi-domain calibration as a measurable and trainable surrogate for the OOD performance of a classifier. We therefore introduce methods that are easy to apply and allow practitioners to improve multi-domain calibration by training or modifying an existing model, leading to better performance on unseen domains. Using four datasets from the recently proposed WILDS OOD benchmark, as well as the Colored MNIST, we demonstrate that training or tuning models so they are calibrated across multiple domains leads to significantly improved performance on unseen test domains. We believe this intriguing connection between calibration and OOD generalization is promising from both a practical and theoretical point of view.
On the Convergence and Sample Efficiency of Variance-Reduced Policy Gradient Method
Authors: Chengzhuo Ni, zheng Yu, Csaba Szepesvari, Mengdi Wang Junyu Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Policy gradient (PG) gives rise to a rich class of reinforcement learning (RL) methods. Recently, there has been an emerging trend to augment the existing PG methods such as REINFORCE by the \emph{variance reduction} techniques.  However, all existing variance-reduced PG methods heavily rely on an uncheckable importance weight assumption made for every single iteration of the algorithms. In this paper, a simple gradient truncation mechanism is proposed to address this issue. Moreover, we design a Truncated Stochastic Incremental Variance-Reduced Policy Gradient (TSIVR-PG) method, which is able to maximize not only a cumulative sum of rewards but also a general utility function over a policy's long-term visiting distribution.  We show an $\tilde{\mathcal{O}}(\epsilon^{-3})$ sample complexity for TSIVR-PG to find an $\epsilon$-stationary policy. By assuming the \emph{overparameterization} of policy and exploiting the \emph{hidden convexity} of the problem, we further show that TSIVR-PG converges to global $\epsilon$-optimal policy with $\tilde{\mathcal{O}}(\epsilon^{-2})$ samples.
Circa: Stochastic ReLUs for Private Deep Learning
Authors: Nandan Kumar Jha, Brandon Reagen, Siddharth Garg Zahra Ghodsi
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The simultaneous rise of machine learning as a service and concerns over user privacy have increasingly motivated the need for private inference (PI). While recent work demonstrates PI is possible using cryptographic primitives, the computational overheads render it impractical. State-of-art deep networks are inadequate in this context because the source of slowdown in PI stems from the ReLU operations whereas optimizations for plaintext inference focus on reducing FLOPs. In this paper we re-think ReLU computations and propose optimizations for PI tailored to properties of neural networks. Specifically, we reformulate ReLU as an approximate sign test and introduce a novel truncation method for the sign test that significantly reduces the cost per ReLU. These optimizations result in a specific type of stochastic ReLU. The key observation is that the stochastic fault behavior is well suited for the fault-tolerant properties of neural network inference. Thus, we provide significant savings without impacting accuracy. We collectively call the optimizations Circa and demonstrate improvements of up to 4.7$\times$ storage and 3$\times$ runtime over baseline implementations; we further show that Circa can be used on top of recent PI optimizations to obtain 1.8$\times$ additional speedup.