mtybilly/Instruct2DS huggingface dataset:
Intriguing Properties of Vision Transformers
Authors: Kanchana Ranasinghe, Salman H Khan, Munawar Hayat, Fahad Shahbaz Khan, Ming-Hsuan Yang Muhammad Muzammal Naseer
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Vision transformers (ViT) have demonstrated impressive performance across numerous machine vision tasks. These models are based on multi-head self-attention mechanisms that can flexibly attend to a sequence of image patches to encode contextual cues. An important question is how such flexibility (in attending image-wide context conditioned on a given patch) can facilitate handling nuisances in natural images e.g., severe occlusions, domain shifts, spatial permutations, adversarial and natural perturbations. We systematically study this question via an extensive set of experiments encompassing three ViT families and provide comparisons with a high-performing convolutional neural network (CNN). We show and analyze the following intriguing properties of ViT: (a)Transformers are highly robust to severe occlusions, perturbations and domain shifts, e.g., retain as high as 60% top-1 accuracy on ImageNet even after randomly occluding 80% of the image content. (b)The robustness towards occlusions is not due to texture bias, instead we show that ViTs are significantly less biased towards local textures, compared to CNNs. When properly trained to encode shape-based features, ViTs demonstrate shape recognition capability comparable to that of human visual system, previously unmatched in the literature. (c)Using ViTs to encode shape representation leads to an interesting consequence of accurate semantic segmentation without pixel-level supervision. (d)Off-the-shelf features from a single ViT model can be combined to create a feature ensemble,  leading to high accuracy rates across a range of classification datasets in both traditional and few-shot learning paradigms.  We show effective features of ViTs are due to flexible and dynamic receptive fields possible via self-attention mechanisms. Our code will be publicly released.
PartialFed: Cross-Domain Personalized Federated Learning via Partial Initialization
Authors: Hongxing Huo, YI YANG, Bo Bai Benyuan Sun
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The burst of applications empowered by massive data have aroused unprecedented privacy concerns in AI society. Currently, data confidentiality protection has been one core issue during deep model training. Federated Learning (FL), which enables privacy-preserving training across multiple silos, gained rising popularity for its parameter-only communication. However, previous works have shown that FL revealed a significant performance drop if the data distributions are heterogeneous among different clients, especially when the clients have cross-domain characteristic, such as traffic, aerial and in-door. To address this challenging problem, we propose a novel idea, PartialFed, which loads a subset of the global model’s parameters rather than loading the entire model used in most previous works. We first validate our algorithm with manually decided loading strategies inspired by various expert priors, named PartialFed-Fix. Then we develop PartialFed-Adaptive, which automatically selects personalized loading strategy for each client. The superiority of our algorithm is proved by demonstrating the new state-of-the-art results on cross-domain federated classification and detection. In particular, solely by initializing a small fraction of layers locally, we improve the performance of FedAvg on Office-Home and UODB by 4.88% and 2.65%, respectively. Further studies show that the adaptive strategy performs significantly better on domains with large deviation, e.g. improves AP50 by 4.03% and 4.89% on aerial and medical image detection compared to FedAvg.
Adaptive Diffusion in Graph Neural Networks
Authors: Yuxiao Dong, Ming Ding, Evgeny Kharlamov, Jie Tang Jialin Zhao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The success of graph neural networks (GNNs) largely relies on the process of aggregating information from neighbors defined by the input graph structures. Notably, message passing based GNNs, e.g., graph convolutional networks, leverage the immediate neighbors of each node during the aggregation process, and recently, graph diffusion convolution (GDC) is proposed to expand the propagation neighborhood by leveraging generalized graph diffusion. However, the neighborhood size in GDC is manually tuned for each graph by conducting grid search over the validation set, making its generalization practically limited. To address this issue, we propose the adaptive diffusion convolution (ADC) strategy to automatically learn the optimal neighborhood size from the data. Furthermore, we break the conventional assumption that all GNN layers and feature channels (dimensions) should use the same neighborhood for propagation. We design strategies to enable ADC to learn a dedicated propagation neighborhood for each GNN layer and each feature channel, making the GNN architecture fully coupled with graph structures---the unique property that differs GNNs from traditional neural networks. By directly plugging ADC into existing GNNs, we observe consistent and significant outperformance over both GDC and their vanilla versions across various datasets, demonstrating the improved model capacity brought by automatically learning unique neighborhood size per layer and per channel in GNNs.
Recurrent Submodular Welfare and Matroid Blocking Semi-Bandits
Authors: Constantine Caramanis Orestis Papadigenopoulos
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: A recent line of research focuses on the study of stochastic multi-armed bandits (MAB), in the case where temporal correlations of specific structure are imposed between the player's actions and the reward distributions of the arms. These correlations lead to (sub-)optimal solutions that exhibit interesting dynamical patterns -- a phenomenon that yields new challenges both from an algorithmic as well as a learning perspective. In this work, we extend the above direction to a combinatorial semi-bandit setting and study a variant of stochastic MAB, where arms are subject to matroid constraints and each arm becomes unavailable (blocked) for a fixed number of rounds after each play. A natural common generalization of the state-of-the-art for blocking bandits, and that for matroid bandits, only guarantees a $\frac{1}{2}$-approximation for general matroids. In this paper we develop the novel technique of correlated (interleaved) scheduling, which allows us to obtain a polynomial-time $(1 - \frac{1}{e})$-approximation algorithm (asymptotically and in expectation) for any matroid. Along the way, we discover an interesting connection to a variant of Submodular Welfare Maximization, for which we provide (asymptotically) matching upper and lower approximability bounds. In the case where the mean arm rewards are unknown, our technique naturally decouples the scheduling from the learning problem, and thus allows to control the $(1-\frac{1}{e})$-approximate regret of a UCB-based adaptation of our online algorithm.
Representer Point Selection via Local Jacobian Expansion for Post-hoc Classifier Explanation of Deep Neural Networks and Ensemble Models
Authors: Ga Wu, Scott Sanner Yi Sui
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Explaining the influence of training data on deep neural network predictions is a critical tool for debugging models through data curation.  A recent tractable and appealing approach for this task was provided via the concept of Representer Point Selection (RPS), i.e. a method the leverages the dual form of $l_2$ regularized optimization in the last layer of the neural network to identify the contribution of training points to the prediction.  However, two key drawbacks of RPS are that they (i) lead to disagreement between the originally trained network and the RP regularized network modification and (ii) often yield a static ranking of training data for the same class, independent of the data being classified.  Inspired by the RPS approach, we propose an alternative method based on a local Jacobian Taylor expansion (LJE) of the Jacobian.We empirically compared RPS-LJE with the original RPS-$l_2$ on image classification (with ResNet), text classification recurrent neural networks (with Bi-LSTM), and tabular classification (with XGBoost) tasks.Quantitatively, we show that RPS-LJE slightly outperforms RPS-$l_2$ and other state-of-the-art data explanation methods by up to 3\% on a data debugging task.  Qualitatively, we observe that RPS-LJE provides individualized explanations for each test data point rather than the class-specific static ranking of points in the original approach.  Overall, RPS-LJE represents a novel approach to RPS that provides a  powerful tool for data-oriented explanation and debugging.
Editing a classifier by rewriting its prediction rules
Authors: Dimitris Tsipras, Mahalaxmi Elango, David Bau, Antonio Torralba, Aleksander Madry Shibani Santurkar
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We propose a methodology for modifying the behavior of a classifier by directly rewriting its prediction rules. Our method requires virtually no additional data collection and can be applied to a variety of settings, including adapting a model to new environments, and modifying it to ignore spurious features.
How Modular should Neural Module Networks Be for Systematic Generalization?
Authors: Tomotake Sasaki, Xavier Boix Vanessa D'Amario
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Neural Module Networks (NMNs) aim at Visual Question Answering (VQA) via composition of modules that tackle a sub-task. NMNs are a promising strategy to achieve systematic generalization, i.e., overcoming biasing factors in the training distribution. However, the aspects of NMNs that facilitate systematic generalization are not fully understood. In this paper, we demonstrate that the degree of modularity of the NMN have large influence on systematic generalization. In a series of experiments on three VQA datasets (VQA-MNIST, SQOOP, and CLEVR-CoGenT), our results reveal that tuning the degree of modularity, especially at the image encoder stage, reaches substantially higher systematic generalization. These findings lead to new NMN architectures that outperform previous ones in terms of systematic generalization.
Contrast and Mix: Temporal Contrastive Video Domain Adaptation with Background Mixing
Authors: Rutav Shah, Rameswar Panda, Kate Saenko, Abir Das Aadarsh Sahoo
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Unsupervised domain adaptation which aims to adapt models trained on a labeled source domain to a completely unlabeled target domain has attracted much attention in recent years. While many domain adaptation techniques have been proposed for images, the problem of unsupervised domain adaptation in videos remains largely underexplored. In this paper, we introduce Contrast and Mix (CoMix), a new contrastive learning framework that aims to learn discriminative invariant feature representations for unsupervised video domain adaptation. First, unlike existing methods that rely on adversarial learning for feature alignment, we utilize temporal contrastive learning to bridge the domain gap by maximizing the similarity between encoded representations of an unlabeled video at two different speeds as well as minimizing the similarity between different videos played at different speeds. Second, we propose a novel extension to the temporal contrastive loss by using background mixing that allows additional positives per anchor, thus adapting contrastive learning to leverage action semantics shared across both domains. Moreover, we also integrate a supervised contrastive learning objective using target pseudo-labels to enhance discriminability of the latent space for video domain adaptation. Extensive experiments on several benchmark datasets demonstrate the superiority of our proposed approach over state-of-the-art methods. Project page: https://cvir.github.io/projects/comix.
The Flip Side of the Reweighted Coin: Duality of Adaptive Dropout and Regularization
Authors: Hamid Javadi, Richard Baraniuk Daniel LeJeune
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Among the most successful methods for sparsifying deep (neural) networks are those that adaptively mask the network weights throughout training. By examining this masking, or dropout, in the linear case, we uncover a duality between such adaptive methods and regularization through the so-called “η-trick” that casts both as iteratively reweighted optimizations. We show that any dropout strategy that adapts to the weights in a monotonic way corresponds to an effective subquadratic regularization penalty, and therefore leads to sparse solutions. We obtain the effective penalties for several popular sparsification strategies, which are remarkably similar to classical penalties commonly used in sparse optimization. Considering variational dropout as a case study, we demonstrate similar empirical behavior between the adaptive dropout method and classical methods on the task of deep network sparsification, validating our theory.
Active Learning of Convex Halfspaces on Graphs
Authors: Thomas Gaertner Maximilian Thiessen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We systematically study the query complexity of learning geodesically convex halfspaces on graphs. Geodesic convexity is a natural generalisation of Euclidean convexity and allows the definition of convex sets and halfspaces on graphs. We prove an upper bound on the query complexity linear in the treewidth and the minimum hull set size but only logarithmic in the diameter. We show tight lower bounds along well-established separation axioms and identify the Radon number as a central parameter of the query complexity and the VC dimension. While previous bounds typically depend on the cut size of the labelling, all parameters in our bounds can be computed from the unlabelled graph. We provide evidence that ground-truth communities in real-world graphs are often convex and empirically compare our proposed approach with other active learning algorithms.
Differentiable Spike: Rethinking Gradient-Descent for Training Spiking Neural Networks
Authors: Yufei Guo, Shanghang Zhang, Shikuang Deng, Yongqing Hai, Shi Gu Yuhang Li
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Spiking Neural Networks (SNNs) have emerged as a biology-inspired method mimicking the spiking nature of brain neurons. This bio-mimicry derives SNNs' energy efficiency of inference on neuromorphic hardware. However, it also causes an intrinsic disadvantage in training high-performing SNNs from scratch since the discrete spike prohibits the gradient calculation. To overcome this issue, the surrogate gradient (SG) approach has been proposed as a continuous relaxation. Yet the heuristic choice of SG leaves it vacant how the SG benefits the SNN training. In this work, we first theoretically study the gradient descent problem in SNN training and introduce finite difference gradient to quantitatively analyze the training behavior of SNN. Based on the introduced finite difference gradient, we propose a new family of Differentiable Spike (Dspike) functions that can adaptively evolve during training to find the optimal shape and smoothness for gradient estimation. Extensive experiments over several popular network structures show that training SNN with Dspike consistently outperforms the state-of-the-art training methods. For example, on the CIFAR10-DVS classification task, we can train a spiking ResNet-18 and achieve 75.4% top-1 accuracy with 10 time steps.
Probabilistic Entity Representation Model for Reasoning over Knowledge Graphs
Authors: Nikhil Rao, Sumeet Katariya, Karthik Subbian, Chandan Reddy Nurendra Choudhary
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Logical reasoning over Knowledge Graphs (KGs) is a fundamental technique that can provide an efficient querying mechanism over large and incomplete databases. Current approaches employ spatial geometries such as boxes to learn query representations that encompass the answer entities and model the logical operations of projection and intersection. However, their geometry is restrictive and leads to non-smooth strict boundaries, which further results in ambiguous answer entities. Furthermore, previous works propose transformation tricks to handle unions which results in non-closure and, thus, cannot be chained in a stream. In this paper, we propose a Probabilistic Entity Representation Model (PERM) to encode entities as a Multivariate Gaussian density with mean and covariance parameters to capture its semantic position and smooth decision boundary, respectively. Additionally, we also define the closed logical operations of projection, intersection, and union that can be aggregated using an end-to-end objective function. On the logical query reasoning problem, we demonstrate that the proposed PERM significantly outperforms the state-of-the-art methods on various public benchmark KG datasets on standard evaluation metrics. We also evaluate PERM’s competence on a COVID-19 drug-repurposing case study and show that our proposed work is able to recommend drugs with substantially better F1 than current methods. Finally, we demonstrate the working of our PERM’s query answering process through a low-dimensional visualization of the Gaussian representations.
Black Box Probabilistic Numerics
Authors: Christopher Foley, Philip Breen, Toni Karvonen, Chris J Oates Onur Teymur
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Probabilistic numerics casts numerical tasks, such the numerical solution of differential equations, as inference problems to be solved. One approach is to model the unknown quantity of interest as a random variable, and to constrain this variable using data generated during the course of a traditional numerical method. However, data may be nonlinearly related to the quantity of interest, rendering the proper conditioning of random variables difficult and limiting the range of numerical tasks that can be addressed. Instead, this paper proposes to construct probabilistic numerical methods based only on the final output from a traditional method. A convergent sequence of approximations to the quantity of interest constitute a dataset, from which the limiting quantity of interest can be extrapolated, in a probabilistic analogue of Richardson’s deferred approach to the limit. This black box approach (1) massively expands the range of tasks to which probabilistic numerics can be applied, (2) inherits the features and performance of state-of-the-art numerical methods, and (3) enables provably higher orders of convergence to be achieved. Applications are presented for nonlinear ordinary and partial differential equations, as well as for eigenvalue problems—a setting for which no probabilistic numerical methods have yet been developed.
Interpolation can hurt robust generalization even when there is no noise
Authors: Alexandru Tifrea, Michael Aerni, Reinhard Heckel, Fanny Yang Konstantin Donhauser
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Numerous recent works show that overparameterization implicitly reduces variance for min-norm interpolators and max-margin classifiers. These findings suggest that ridge regularization has vanishing benefits in high dimensions.  We challenge this narrative by showing that, even in the absence of noise, avoiding interpolation through ridge regularization can significantly improve generalization.  We prove this phenomenon for the robust risk of both linear regression and classification, and hence provide the first theoretical result on \emph{robust overfitting}.
On the Equivalence between Neural Network and Support Vector Machine
Authors: Wei Huang, Lam Nguyen, Tsui-Wei Weng Yilan Chen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) \citep{jacot2018neural}. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK \citep{arora2019exact}. However, the equivalence is only known for ridge regression currently \citep{arora2019harnessing}, while the equivalence between NN and other kernel machines (KMs), e.g. support vector machine (SVM), remains unknown. Therefore, in this work, we propose to establish the equivalence between NN and SVM, and specifically, the infinitely wide NN trained by soft margin loss and the standard soft margin SVM with NTK trained by subgradient descent. Our main theoretical results include establishing the equivalence between NN and a broad family of $\ell_2$ regularized KMs with finite-width bounds, which cannot be handled by prior work, and showing that every finite-width NN trained by such regularized loss functions is approximately a KM. Furthermore, we demonstrate our theory can enable three practical applications, including (i) \textit{non-vacuous} generalization bound of NN via the corresponding KM; (ii) \textit{nontrivial} robustness certificate for the infinite-width NN (while existing robustness verification methods would provide vacuous bounds); (iii) intrinsically more robust infinite-width NNs than those from previous kernel regression.
Learning Semantic Representations to Verify Hardware Designs
Authors: Wenjie (Joe) Jiang, David Bieber, Rishabh Singh, hamid shojaei, C. Richard Ho, Charles A. Sutton Shobha Vasudevan
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Verification is a serious bottleneck in the industrial hardware design cycle, routinely requiring person-years of effort. Practical verification relies on a "best effort" process that simulates the design on test inputs. This suggests a new research question: Can this simulation data be exploited to learn a continuous representation of a hardware design that allows us to predict its functionality? As a first approach to this new problem, we introduce Design2Vec, a deep architecture that learns semantic abstractions of hardware designs. The key idea is to work at a higher level of abstraction than the gate or the bit level, namely the Register Transfer Level (RTL), which is somewhat analogous to software source code, and can be represented by a graph that incorporates control and data flow. This allows us to learn representations of RTL syntax and semantics using a graph neural network. We apply these representations to several tasks within verification, including predicting what cover points of the design will be exercised by a test, and generating new tests that will exercise desired cover points. We evaluate Design2Vec on three real-world hardware designs, including an industrial chip used in commercial data centers. Our results demonstrate that Design2Vec dramatically outperforms baseline approaches that do not incorporate the RTL semantics, scales to industrial designs, and can generate tests that exercise design points that are currently hard to cover with manually written tests by design verification experts.
Rebooting ACGAN: Auxiliary Classifier GANs with Stable Training
Authors: Woohyeon Shim, Minsu Cho, Jaesik Park Minguk Kang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Conditional Generative Adversarial Networks (cGAN) generate realistic images by incorporating class information into GAN. While one of the most popular cGANs is an auxiliary classifier GAN with softmax cross-entropy loss (ACGAN), it is widely known that training ACGAN is challenging as the number of classes in the dataset increases. ACGAN also tends to generate easily classifiable samples with a lack of diversity. In this paper, we introduce two cures for ACGAN. First, we identify that gradient exploding in the classifier can cause an undesirable collapse in early training, and projecting input vectors onto a unit hypersphere can resolve the problem. Second, we propose the Data-to-Data Cross-Entropy loss (D2D-CE) to exploit relational information in the class-labeled dataset. On this foundation, we propose the Rebooted Auxiliary Classifier Generative Adversarial Network (ReACGAN). The experimental results show that ReACGAN achieves state-of-the-art generation results on CIFAR10, Tiny-ImageNet, CUB200, and ImageNet datasets. We also verify that ReACGAN benefits from differentiable augmentations and that D2D-CE harmonizes with StyleGAN2 architecture. Model weights and a software package that provides implementations of representative cGANs and all experiments in our paper are available at https://github.com/POSTECH-CVLab/PyTorch-StudioGAN.
Towards a Theoretical Framework of Out-of-Distribution Generalization
Authors: Chuanlong Xie, Tianle Cai, Ruichen Li, Zhenguo Li, Liwei Wang Haotian Ye
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Generalization to out-of-distribution (OOD) data is one of the central problems in modern machine learning. Recently, there is a surge of attempts to propose algorithms that mainly build upon the idea of extracting invariant features. Although intuitively reasonable, theoretical understanding of what kind of invariance can guarantee OOD generalization is still limited, and generalization to arbitrary out-of-distribution is clearly impossible. In this work, we take the first step towards rigorous and quantitative definitions of 1) what is OOD; and 2) what does it mean by saying an OOD problem is learnable. We also introduce a new concept of expansion function, which characterizes to what extent the variance is amplified in the test domains over the training domains, and therefore give a quantitative meaning of invariant features. Based on these, we prove an OOD generalization error bound. It turns out that OOD generalization largely depends on the expansion function. As recently pointed out by Gulrajani & Lopez-Paz (2020), any OOD learning algorithm without a model selection module is incomplete. Our theory naturally induces a model selection criterion. Extensive experiments on benchmark OOD datasets demonstrate that our model selection criterion has a significant advantage over baselines.
Slice Sampling Reparameterization Gradients
Authors: Diana Cai, Ryan P. Adams David Zoltowski
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Many probabilistic modeling problems in machine learning use gradient-based optimization in which the objective takes the form of an expectation. These problems can be challenging when the parameters to be optimized determine the probability distribution under which the expectation is being taken, as the na\"ive Monte Carlo procedure is not differentiable. Reparameterization gradients make it possible to efficiently perform optimization of these Monte Carlo objectives by transforming the expectation to be differentiable, but the approach is typically limited to distributions with simple forms and tractable normalization constants. Here we describe how to differentiate samples from slice sampling to compute \textit{slice sampling reparameterization gradients}, enabling a richer class of Monte Carlo objective functions to be optimized. Slice sampling is a Markov chain Monte Carlo algorithm for simulating samples from probability distributions; it only requires a density function that can be evaluated point-wise up to a normalization constant, making it applicable to a variety of inference problems and unnormalized models. Our approach is based on the observation that when the slice endpoints are known, the sampling path is a deterministic and differentiable function of the pseudo-random variables, since the algorithm is rejection-free. We evaluate the method on synthetic examples and apply it to a variety of applications with reparameterization of unnormalized probability distributions.
Multi-Label Learning with Pairwise Relevance Ordering
Authors: Sheng-Jun Huang Ming-Kun Xie
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Precisely annotating objects with multiple labels is costly and has become a critical bottleneck in real-world multi-label classification tasks. Instead, deciding the relative order of label pairs is obviously less laborious than collecting exact labels. However, the supervised information of pairwise relevance ordering is less informative than exact labels. It is thus an important challenge to effectively learn with such weak supervision. In this paper, we formalize this problem as a novel learning framework, called multi-label learning with pairwise relevance ordering (PRO). We show that the unbiased estimator of classification risk can be derived with a cost-sensitive loss only from PRO examples. Theoretically, we provide the estimation error bound for the proposed estimator and further prove that it is consistent with respective to the commonly used ranking loss. Empirical studies on multiple datasets and metrics validate the effectiveness of the proposed method.
Sampling  with Trusthworthy Constraints:  A Variational Gradient Framework
Authors: Xin Tong, Qiang Liu Xingchao Liu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Sampling-based inference and learning techniques, especially Bayesian inference, provide an essential approach to handling uncertainty in machine learning (ML). As these techniques are increasingly used in daily life, it becomes essential to safeguard the ML systems with various trustworthy-related constraints, such as fairness, safety, interpretability. Mathematically, enforcing these constraints in probabilistic inference can be cast into sampling from intractable distributions subject to general nonlinear constraints, for which practical efficient algorithms are still largely missing. In this work, we propose a family of constrained sampling algorithms which generalize Langevin Dynamics (LD) and Stein Variational Gradient Descent (SVGD) to incorporate a moment constraint specified by a general nonlinear function. By exploiting the gradient flow structure of LD and SVGD, we derive two types of algorithms for handling constraints, including a primal-dual gradient approach and the constraint controlled gradient descent approach. We investigate the continuous-time mean-field limit of these algorithms and show that they have O(1/t) convergence under mild conditions. Moreover, the LD variant converges linearly assuming that a log Sobolev like inequality holds. Various numerical experiments are conducted to demonstrate the efficiency of our algorithms in trustworthy settings.
Robust and Decomposable Average Precision for Image Retrieval
Authors: Nicolas THOME, Clément Rambour, Nicolas Audebert, Xavier Bitot Elias Ramzi
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In image retrieval, standard evaluation metrics rely on score ranking, e.g. average precision (AP). In this paper, we introduce a method for robust and decomposable average precision (ROADMAP) addressing two major challenges for end-to-end training of deep neural networks with AP: non-differentiability and non-decomposability.Firstly, we propose a new differentiable approximation of the rank function, which provides an upper bound of the AP loss and ensures robust training. Secondly, we design a simple yet effective loss function to reduce the decomposability gap between the AP in the whole training set and its averaged batch approximation, for which we provide theoretical guarantees.Extensive experiments conducted on three image retrieval datasets show that ROADMAP outperforms several recent AP approximation methods and highlight the importance of our two contributions. Finally, using ROADMAP for training deep models yields very good performances, outperforming state-of-the-art results on the three datasets.Code and instructions to reproduce our results will be made publicly available at https://github.com/elias-ramzi/ROADMAP.
Fast rates for prediction with limited expert advice
Authors: Gilles Blanchard El Mehdi Saad
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We investigate the problem of minimizing the excess generalization error with respect to the best expert prediction in a finite family in the stochastic setting,  under limited access to information. We consider that the learner has only access to a limited number of expert advices per training round, as well as for prediction. Assuming that the loss function is Lipschitz and strongly convex, we show that if we are allowed to see the advice of only one expert per round in the training phase, or to use the advice of only one expert for prediction in the test phase, the worst-case excess risk is ${\Omega}(1/\sqrt{T})$ with probability lower bounded by a constant. However, if we are allowed to see at least two actively chosen expert advices per training round and use at least two experts for prediction, the fast rate $\mathcal{O}(1/T)$ can be achieved. We design novel algorithms achieving this rate in this setting, and in the setting where the learner have a budget constraint on the total number of observed experts advices,  and give precise instance-dependent bounds on the number of training rounds needed to achieve a given generalization error precision.
Probabilistic Transformer For Time Series Analysis
Authors: David S Matteson Binh Tang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Generative modeling of multivariate time series has remained challenging partly due to the complex, non-deterministic dynamics across long-distance timesteps. In this paper, we propose deep probabilistic methods that combine state-space models (SSMs) with transformer architectures. In contrast to previously proposed SSMs, our approaches use attention mechanism to model non-Markovian dynamics in the latent space and avoid recurrent neural networks entirely. We also extend our models to include several layers of stochastic variables organized in a hierarchy for further expressiveness. Compared to transformer models, ours are probabilistic, non-autoregressive, and capable of generating diverse long-term forecasts with uncertainty estimates. Extensive experiments show that our models consistently outperform competitive baselines on various tasks and datasets, including time series forecasting and human motion prediction.
A Hierarchical Reinforcement Learning Based Optimization Framework for Large-scale Dynamic Pickup and Delivery Problems
Authors: Xiaotian Hao, Jianye Hao, Jiawen Lu, Xing Liu, Tong Xialiang, Mingxuan Yuan, Zhigang Li, Jie Tang, Zhaopeng Meng Yi Ma
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The Dynamic Pickup and Delivery Problem (DPDP) is an essential problem in the logistics domain, which is NP-hard. The objective is to dynamically schedule vehicles among multiple sites to serve the online generated orders such that the overall transportation cost could be minimized. The critical challenge of DPDP is the orders are not known a priori, i.e., the orders are dynamically generated in real-time. To address this problem, existing methods partition the overall DPDP into fixed-size sub-problems by caching online generated orders and solve each sub-problem, or on this basis to utilize the predicted future orders to optimize each sub-problem further. However, the solution quality and efficiency of these methods are unsatisfactory, especially when the problem scale is very large. In this paper, we propose a novel hierarchical optimization framework to better solve large-scale DPDPs. Specifically, we design an upper-level agent to dynamically partition the DPDP into a series of sub-problems with different scales to optimize vehicles routes towards globally better solutions. Besides, a lower-level agent is designed to efficiently solve each sub-problem by incorporating the strengths of classical operational research-based methods with reinforcement learning-based policies. To verify the effectiveness of the proposed framework, real historical data is collected from the order dispatching system of Huawei Supply Chain Business Unit and used to build a functional simulator. Extensive offline simulation and online testing conducted on the industrial order dispatching system justify the superior performance of our framework over existing baselines.
Spatio-Temporal Variational Gaussian Processes
Authors: William Wilkinson, Niki Loppi, Arno Solin, Theodoros Damoulas Oliver Hamelijnck
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We introduce a scalable approach to Gaussian process inference that combines spatio-temporal filtering with natural gradient variational inference, resulting in a non-conjugate GP method for multivariate data that scales linearly with respect to time. Our natural gradient approach enables application of parallel filtering and smoothing, further reducing the temporal span complexity to be logarithmic in the number of time steps. We derive a sparse approximation that constructs a state-space model over a reduced set of spatial inducing points, and show that for separable Markov kernels the full and sparse cases exactly recover the standard variational GP, whilst exhibiting favourable computational properties. To further improve the spatial scaling we propose a mean-field assumption of independence between spatial locations which, when coupled with sparsity and parallelisation, leads to an efficient and accurate method for large spatio-temporal problems.
MERLOT: Multimodal Neural Script Knowledge Models
Authors: Ximing Lu, Jack Hessel, Youngjae Yu, Jae Sung Park, Jize Cao, Ali Farhadi, Yejin Choi Rowan Zellers
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: As humans, we understand events in the visual world contextually, performing multimodal reasoning across time to make inferences about the past, present, and future. We introduce MERLOT, a model that learns multimodal script knowledge by watching millions of YouTube videos with transcribed speech -- in an entirely label-free, self-supervised manner. By pretraining with a mix of both frame-level (spatial) and video-level (temporal) objectives, our model not only learns to match images to temporally corresponding words, but also to contextualize what is happening globally over time. As a result, MERLOT exhibits strong out-of-the-box representations of temporal commonsense, and achieves state-of-the-art performance on 12 different video QA datasets when finetuned. It also transfers well to the world of static images, allowing models to reason about the dynamic context behind visual scenes. On Visual Commonsense Reasoning, MERLOT~answers questions correctly with 80.6\% accuracy, outperforming state-of-the-art models of similar size by over 3\%, even those that make heavy use of auxiliary supervised data (like object bounding boxes).Ablation analyses demonstrate the complementary importance of: 1) training on videos versus static images; 2) scaling the magnitude and diversity of the pretraining video corpus; and 3) using diverse objectives that encourage full-stack multimodal reasoning, from the recognition to cognition level.
Fast Approximate Dynamic Programming for Infinite-Horizon Markov Decision Processes
Authors: Gyula Max, Peyman Mohajerin Esfahani Mohamad Amin Sharifi Kolarijani
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In this study, we consider the infinite-horizon, discounted cost, optimal control of stochastic nonlinear systems with separable cost and constraints in the state and input variables. Using the linear-time Legendre transform, we propose a novel numerical scheme for implementation of the corresponding value iteration (VI) algorithm in the conjugate domain. Detailed analyses of the convergence, time complexity, and error of the proposed algorithm are provided. In particular, with a discretization of size $X$ and $U$ for the state and input spaces, respectively, the proposed approach reduces the time complexity of each iteration in the VI algorithm from $O(XU)$ to $O(X+U)$, by replacing the minimization operation in the primal domain with a simple addition in the conjugate domain.
Adaptive Risk Minimization: Learning to Adapt to Domain Shift
Authors: Henrik Marklund, Nikita Dhawan, Abhishek Gupta, Sergey Levine, Chelsea Finn Marvin Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: A fundamental assumption of most machine learning algorithms is that the training and test data are drawn from the same underlying distribution. However, this assumption is violated in almost all practical applications: machine learning systems are regularly tested under distribution shift, due to changing temporal correlations, atypical end users, or other factors. In this work, we consider the problem setting of domain generalization, where the training data are structured into domains and there may be multiple test time shifts, corresponding to new domains or domain distributions. Most prior methods aim to learn a single robust model or invariant feature space that performs well on all domains. In contrast, we aim to learn models that adapt at test time to domain shift using unlabeled test points. Our primary contribution is to introduce the framework of adaptive risk minimization (ARM), in which models are directly optimized for effective adaptation to shift by learning to adapt on the training domains. Compared to prior methods for robustness, invariance, and adaptation, ARM methods provide performance gains of 1-4% test accuracy on a number of image classification problems exhibiting domain shift.
Learning State Representations from Random Deep Action-conditional Predictions
Authors: Vivek Veeriah, Risto Vuorio, Richard L Lewis, Satinder P. Singh Zeyu Zheng
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Our main contribution in this work is an empirical finding that random General Value Functions (GVFs), i.e., deep action-conditional predictions---random both in what feature of observations they predict as well as in the sequence of actions the predictions are conditioned upon---form good auxiliary tasks for reinforcement learning (RL) problems. In particular, we show that random deep action-conditional predictions when used as auxiliary tasks yield state representations that produce control performance competitive with state-of-the-art hand-crafted auxiliary tasks like value prediction, pixel control, and CURL in both Atari and DeepMind Lab tasks. In another set of experiments we stop the gradients from the RL part of the network to the state representation learning part of the network and show, perhaps surprisingly, that the auxiliary tasks alone are sufficient to learn state representations good enough to outperform an end-to-end trained actor-critic baseline. We opensourced our code at https://github.com/Hwhitetooth/random_gvfs.
Mixability made efficient: Fast online multiclass logistic regression
Authors: Pierre Gaillard, Alessandro Rudi Rémi Jézéquel
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Mixability has been shown to be a powerful tool to obtain algorithms with optimal regret. However, the resulting methods often suffer from high computational complexity which has reduced their practical applicability. For example, in the case of multiclass logistic regression, the aggregating forecaster (see Foster et al. 2018) achieves a regret of $O(\log(Bn))$ whereas Online Newton Step achieves $O(e^B\log(n))$ obtaining a double exponential gain in $B$ (a bound on the norm of comparative functions). However, this high statistical performance is at the price of a prohibitive computational complexity $O(n^{37})$.In this paper, we use quadratic surrogates to make aggregating forecasters more efficient. We show that the resulting algorithm has still high statistical performance for a large class of losses. In particular, we derive an algorithm for multiclass regression with a regret bounded by $O(B\log(n))$ and computational complexity of only $O(n^4)$.
Tracking People with 3D Representations
Authors: Georgios Pavlakos, Angjoo Kanazawa, Jitendra Malik Jathushan Rajasegaran
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We present a novel approach for tracking multiple people in video. Unlike past approaches which employ 2D representations, we focus on using 3D representations of people, located in three-dimensional space. To this end, we develop a method, Human Mesh and Appearance Recovery (HMAR) which in addition to extracting the 3D geometry of the person as a SMPL mesh, also extracts appearance as a texture map on the triangles of the mesh. This serves as a 3D representation for appearance that is robust to viewpoint and pose changes. Given a video clip, we first detect bounding boxes corresponding to people, and for each one, we extract 3D appearance, pose, and location information using HMAR. These embedding vectors are then sent to a transformer, which performs spatio-temporal aggregation of the representations over the duration of the sequence. The similarity of the resulting representations is used to solve for associations that assigns each person to a tracklet. We evaluate our approach on the Posetrack, MuPoTs and AVA datasets.  We find that 3D representations are more effective than 2D representations for tracking in these settings, and we obtain state-of-the-art performance. Code and results are available at: https://brjathu.github.io/T3DP.