mtybilly/Instruct2DS huggingface dataset:
Adaptive Federated Optimization
Authors: Sashank J. Reddi, Zachary Charles, Manzil Zaheer, Zachary Garrett, Keith Rush, Jakub Konečný, Sanjiv Kumar, Hugh Brendan McMahan
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Federated learning is a distributed machine learning paradigm in which a large number of clients coordinate with a central server to learn a model without sharing their own training data. Standard federated optimization methods such as Federated Averaging (FedAvg) are often difficult to tune and exhibit unfavorable convergence behavior. In non-federated settings, adaptive optimization methods have had notable success in combating such issues. In this work, we propose federated versions of adaptive optimizers, including Adagrad, Adam, and  Yogi, and analyze their convergence in the presence of heterogeneous data for general non-convex settings. Our results highlight the interplay between client heterogeneity and communication efficiency. We also perform extensive experiments on these methods and show that the use of adaptive optimizers can significantly improve the performance of federated learning.
X2T: Training an X-to-Text Typing Interface with Online Learning from User Feedback
Authors: Jensen Gao, Siddharth Reddy, Glen Berseth, Nicholas Hardy, Nikhilesh Natraj, Karunesh Ganguly, Anca Dragan, Sergey Levine
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: We aim to help users communicate their intent to machines using flexible, adaptive interfaces that translate arbitrary user input into desired actions. In this work, we focus on assistive typing applications in which a user cannot operate a keyboard, but can instead supply other inputs, such as webcam images that capture eye gaze or neural activity measured by a brain implant. Standard methods train a model on a fixed dataset of user inputs, then deploy a static interface that does not learn from its mistakes; in part, because extracting an error signal from user behavior can be challenging. We investigate a simple idea that would enable such interfaces to improve over time, with minimal additional effort from the user: online learning from user feedback on the accuracy of the interface's actions. In the typing domain, we leverage backspaces as feedback that the interface did not perform the desired action. We propose an algorithm called x-to-text (X2T) that trains a predictive model of this feedback signal, and uses this model to fine-tune any existing, default interface for translating user input into actions that select words or characters. We evaluate X2T through a small-scale online user study with 12 participants who type sentences by gazing at their desired words, a large-scale observational study on handwriting samples from 60 users, and a pilot study with one participant using an electrocorticography-based brain-computer interface. The results show that X2T learns to outperform a non-adaptive default interface, stimulates user co-adaptation to the interface, personalizes the interface to individual users, and can leverage offline data collected from the default interface to improve its initial performance and accelerate online learning.
Anatomy of Catastrophic Forgetting: Hidden Representations and Task Semantics
Authors: Vinay Venkatesh Ramasesh, Ethan Dyer, Maithra Raghu
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Catastrophic forgetting is a recurring challenge to developing versatile deep learning models. Despite its ubiquity, there is limited understanding of its connections to neural network (hidden) representations and task semantics. In this paper, we address this important knowledge gap. Through quantitative analysis of neural representations, we find that deeper layers are disproportionately responsible for forgetting, with sequential training resulting in an erasure of earlier task representational subspaces. Methods to mitigate forgetting stabilize these deeper layers, but show diversity on precise effects, with some increasing feature reuse while others store task representations orthogonally, preventing interference. These insights also enable the development of an analytic argument and empirical picture relating forgetting to task semantic similarity, where we find that maximal forgetting occurs for task sequences with intermediate similarity.
Learning from Demonstration with Weakly Supervised Disentanglement
Authors: Yordan Hristov, Subramanian Ramamoorthy
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Robotic manipulation tasks, such as wiping with a soft sponge, require control from multiple rich sensory modalities. Human-robot interaction, aimed at teach- ing robots, is difficult in this setting as there is potential for mismatch between human and machine comprehension of the rich data streams. We treat the task of interpretable learning from demonstration as an optimisation problem over a probabilistic generative model. To account for the high-dimensionality of the data, a high-capacity neural network is chosen to represent the model. The latent variables in this model are explicitly aligned with high-level notions and concepts that are manifested in a set of demonstrations. We show that such alignment is best achieved through the use of labels from the end user, in an appropriately restricted vocabulary, in contrast to the conventional approach of the designer picking a prior over the latent variables. Our approach is evaluated in the context of two table-top robot manipulation tasks performed by a PR2 robot – that of dabbing liquids with a sponge (forcefully pressing a sponge and moving it along a surface) and pouring between different containers. The robot provides visual information, arm joint positions and arm joint efforts. We have made videos of the tasks and data available - see supplementary materials at: https://sites.google.com/view/weak-label-lfd.
Fast And Slow Learning Of Recurrent Independent Mechanisms
Authors: Kanika Madan, Nan Rosemary Ke, Anirudh Goyal, Bernhard Schölkopf, Yoshua Bengio
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Decomposing knowledge into interchangeable pieces promises a generalization advantage when there are changes in distribution. A learning agent interacting with its environment is likely to be faced with situations requiring novel combinations of existing pieces of knowledge. We hypothesize that such a decomposition of knowledge is particularly relevant for being able to generalize in a systematic way to out-of-distribution changes. To study these ideas, we propose a particular training framework in which we assume that the pieces of knowledge an agent needs and its reward function are stationary and can be re-used across tasks. An attention mechanism dynamically selects which modules can be adapted to the current task, and the parameters of the \textit{selected} modules are allowed to change quickly as the learner is confronted with variations in what it experiences, while the parameters of the attention mechanisms act as stable, slowly changing, meta-parameters. We focus on pieces of knowledge captured by an ensemble of  modules sparsely communicating with each other via a bottleneck of attention. We find that meta-learning the  modular aspects of the proposed system greatly helps in achieving faster adaptation in a reinforcement learning setup involving navigation in a partially observed grid world with image-level input.  We also find that reversing the role of parameters and meta-parameters does not work nearly as well, suggesting a particular role for fast adaptation of the dynamically selected modules.
Long Live the Lottery: The Existence of Winning Tickets in Lifelong Learning
Authors: Tianlong Chen, Zhenyu Zhang, Sijia Liu, Shiyu Chang, Zhangyang Wang
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: The lottery ticket hypothesis states that a highly sparsified sub-network can be trained in isolation, given the appropriate weight initialization. This paper extends that hypothesis from one-shot task learning, and demonstrates for the first time that such extremely compact and independently trainable sub-networks can be also identified in the lifelong learning scenario, which we call lifelong tickets. We show that the resulting lifelong ticket can further be leveraged to improve the performance of learning over continual tasks. However, it is highly non-trivial to conduct network pruning in the lifelong setting. Two critical roadblocks arise: i) As many tasks now arrive sequentially, finding tickets in a greedy weight pruning fashion will inevitably suffer from the intrinsic bias, that the earlier emerging tasks impact more; ii) As lifelong learning is consistently challenged by catastrophic forgetting, the compact network capacity of tickets might amplify the risk of forgetting. In view of those, we introduce two pruning options, e.g., top-down and bottom-up, for finding lifelong tickets. Compared to the top-down pruning that extends vanilla (iterative) pruning over sequential tasks, we show that the bottom-up one, which can dynamically shrink and (re-)expand model capacity, effectively avoids the undesirable excessive pruning in the early stage. We additionally introduce lottery teaching that further overcomes forgetting via knowledge distillation aided by external unlabeled data. Unifying those ingredients, we demonstrate the existence of very competitive lifelong tickets, e.g., achieving 3-8% of the dense model size with even higher accuracy, compared to strong class-incremental learning baselines on CIFAR-10/CIFAR-100/Tiny-ImageNet datasets. Codes available at https://github.com/VITA-Group/Lifelong-Learning-LTH.
Proximal Gradient Descent-Ascent: Variable Convergence under KŁ Geometry
Authors: Ziyi Chen, Yi Zhou, Tengyu Xu, Yingbin Liang
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: The gradient descent-ascent (GDA) algorithm has been widely applied to solve minimax optimization problems. In order to achieve convergent policy parameters for minimax optimization, it is important that GDA generates convergent variable sequences rather than convergent sequences of function value or gradient norm. However, the variable convergence of GDA has been proved only under convexity geometries, and it is lack of understanding in general nonconvex minimax optimization. This paper fills such a gap by studying the convergence of a more general proximal-GDA for regularized nonconvex-strongly-concave minimax optimization. Specifically, we show that proximal-GDA admits a novel Lyapunov function, which monotonically decreases in the minimax optimization process and drives the variable sequences to a critical point. By leveraging this Lyapunov function and the KL geometry that parameterizes the local geometries of general nonconvex functions, we formally establish the variable convergence of proximal-GDA to a certain critical point $x^*$, i.e., $x_t\to x^*, y_t\to y^*(x^*)$. Furthermore, over the full spectrum of the KL-parameterized geometry, we show that proximal-GDA achieves different types of convergence rates ranging from sublinear convergence up to finite-step convergence, depending on the geometry associated with the KL parameter. This is the first theoretical result on the variable convergence for nonconvex minimax optimization.
Emergent Symbols through Binding in External Memory
Authors: Taylor Whittington Webb, Ishan Sinha, Jonathan Cohen
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: A key aspect of human intelligence is the ability to infer abstract rules directly from high-dimensional sensory data, and to do so given only a limited amount of training experience. Deep neural network algorithms have proven to be a powerful tool for learning directly from high-dimensional data, but currently lack this capacity for data-efficient induction of abstract rules, leading some to argue that symbol-processing mechanisms will be necessary to account for this capacity. In this work, we take a step toward bridging this gap by introducing the Emergent Symbol Binding Network (ESBN), a recurrent network augmented with an external memory that enables a form of variable-binding and indirection. This binding mechanism allows symbol-like representations to emerge through the learning process without the need to explicitly incorporate symbol-processing machinery, enabling the ESBN to learn rules in a manner that is abstracted away from the particular entities to which those rules apply. Across a series of tasks, we show that this architecture displays nearly perfect generalization of learned rules to novel entities given only a limited number of training examples, and outperforms a number of other competitive neural network architectures.
Topology-Aware Segmentation Using Discrete Morse Theory
Authors: Xiaoling Hu, Yusu Wang, Li Fuxin, Dimitris Samaras, Chao Chen
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: In the segmentation of fine-scale structures from natural and biomedical images, per-pixel accuracy is not the only metric of concern. Topological correctness, such as vessel connectivity and membrane closure, is crucial for downstream analysis tasks. In this paper, we propose a new approach to train deep image segmentation networks for better topological accuracy. In particular, leveraging the power of discrete Morse theory (DMT), we identify global structures, including 1D skeletons and 2D patches, which are important for topological accuracy. Trained with a novel loss based on these global structures, the network performance is significantly improved especially near topologically challenging locations (such as weak spots of connections and membranes). On diverse datasets, our method achieves superior performance on both the DICE score and topological metrics.
The Role of Momentum Parameters in the Optimal Convergence of Adaptive Polyak's Heavy-ball Methods
Authors: Wei Tao, Sheng Long, Gaowei Wu, Qing Tao
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: The adaptive stochastic gradient descent (SGD) with momentum has been widely adopted in deep learning as well as convex optimization. In practice, the last iterate is commonly used as the final solution. However, the available regret analysis and the setting of constant momentum parameters only guarantee the optimal convergence of the averaged solution. In this paper, we fill this theory-practice gap by investigating the convergence of the last iterate (referred to as {\it individual convergence}), which is a more difficult task than convergence analysis of the averaged solution. Specifically, in the constrained convex cases, we prove that the adaptive Polyak's Heavy-ball (HB) method, in which the step size is only updated using the exponential moving average strategy, attains an individual convergence rate of $O(\frac{1}{\sqrt{t}})$, as opposed to that of $O(\frac{\log t}{\sqrt {t}})$ of SGD, where $t$ is the number of iterations. Our new analysis not only shows how the HB momentum and its time-varying weight help us to achieve the acceleration in convex optimization but also gives valuable hints how the momentum parameters should be scheduled in deep learning. Empirical results validate the correctness of our convergence analysis in optimizing convex functions and demonstrate the improved performance of the adaptive HB methods in training deep networks.
Global Convergence of Three-layer Neural Networks in the Mean Field Regime
Authors: Huy Tuan Pham, Phan-Minh Nguyen
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: In the mean field regime, neural networks are appropriately scaled so that as the width tends to infinity, the learning dynamics tends to a nonlinear and nontrivial dynamical limit, known as the mean field limit. This lends a way to study large-width neural networks via analyzing the mean field limit. Recent works have successfully applied such analysis to two-layer networks and provided global convergence guarantees. The extension to multilayer ones however has been a highly challenging puzzle, and little is known about the optimization efficiency in the mean field regime when there are more than two layers.

In this work, we prove a global convergence result for unregularized feedforward three-layer networks in the mean field regime. We first develop a rigorous framework to establish the mean field limit of three-layer networks under stochastic gradient descent training. To that end, we propose the idea of a neuronal embedding, which comprises of a fixed probability space that encapsulates neural networks of arbitrary sizes. The identified mean field limit is then used to prove a global convergence guarantee under suitable regularity and convergence mode assumptions, which – unlike previous works on two-layer networks – does not rely critically on convexity. Underlying the result is a universal approximation property, natural of neural networks, which importantly is shown to hold at any finite training time (not necessarily at convergence) via an algebraic topology argument.
Multi-resolution modeling of a discrete stochastic process identifies causes of cancer
Authors: Adam Uri Yaari, Maxwell Sherman, Oliver Clarke Priebe, Po-Ru Loh, Boris Katz, Andrei Barbu, Bonnie Berger
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Detection of cancer-causing mutations within the vast and mostly unexplored human genome is a major challenge. Doing so requires modeling the background mutation rate, a highly non-stationary stochastic process, across regions of interest varying in size from one to millions of positions. Here, we present the split-Poisson-Gamma (SPG) distribution, an extension of the classical Poisson-Gamma formulation, to model a discrete stochastic process at multiple resolutions. We demonstrate that the probability model has a closed-form posterior, enabling efficient and accurate linear-time prediction over any length scale after the parameters of the model have been inferred a single time. We apply our framework to model mutation rates in tumors and show that model parameters can be accurately inferred from high-dimensional epigenetic data using a convolutional neural network, Gaussian process, and maximum-likelihood estimation. Our method is both more accurate and more efficient than existing models over a large range of length scales. We demonstrate the usefulness of multi-resolution modeling by detecting genomic elements that drive tumor emergence and are of vastly differing sizes.
Deep Encoder, Shallow Decoder: Reevaluating Non-autoregressive Machine Translation
Authors: Jungo Kasai, Nikolaos Pappas, Hao Peng, James Cross, Noah Smith
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Much recent effort has been invested in non-autoregressive neural machine translation, which appears to be an efficient alternative to state-of-the-art autoregressive machine translation on modern GPUs.  In contrast to the latter, where generation is sequential, the former allows generation to be parallelized across target token positions. Some of the latest non-autoregressive models have achieved impressive translation quality-speed tradeoffs compared to autoregressive baselines. In this work, we reexamine this tradeoff and argue that autoregressive baselines can be substantially sped up without loss in accuracy. Specifically, we study autoregressive models with encoders and decoders of varied depths. Our extensive experiments show that given a sufficiently deep encoder, a single-layer autoregressive decoder can substantially outperform strong non-autoregressive models with comparable inference speed. We show that the speed disadvantage for autoregressive baselines compared to non-autoregressive methods has been overestimated in three aspects: suboptimal layer allocation, insufficient speed measurement, and lack of knowledge distillation. Our results establish a new protocol for future research toward fast, accurate machine translation. Our code is available at https://github.com/jungokasai/deep-shallow.
Prototypical Contrastive Learning of Unsupervised Representations
Authors: Junnan Li, Pan Zhou, Caiming Xiong, Steven Hoi
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: This paper presents Prototypical Contrastive Learning (PCL), an unsupervised representation learning method that bridges contrastive learning with clustering. PCL not only learns low-level features for the task of instance discrimination, but more importantly, it implicitly encodes semantic structures of the data into the learned embedding space. Specifically, we introduce prototypes as latent variables to help find the maximum-likelihood estimation of the network parameters in an Expectation-Maximization framework. We iteratively perform E-step as finding the distribution of prototypes via clustering and M-step as optimizing the network via contrastive learning. We propose ProtoNCE loss, a generalized version of the InfoNCE loss for contrastive learning, which encourages representations to be closer to their assigned prototypes. PCL outperforms state-of-the-art instance-wise contrastive learning methods on multiple benchmarks with substantial improvement in low-resource transfer learning. Code and pretrained models are available at https://github.com/salesforce/PCL.
Inductive Representation Learning in Temporal Networks via Causal Anonymous Walks
Authors: Yanbang Wang, Yen-Yu Chang, Yunyu Liu, Jure Leskovec, Pan Li
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Temporal networks serve as abstractions of many real-world dynamic systems. These networks typically evolve according to certain laws, such as the law of triadic closure, which is universal in social networks. Inductive representation learning of temporal networks should be able to capture such laws and further be applied to systems that follow the same laws but have not been unseen during the training stage. Previous works in this area depend on either network node identities or rich edge attributes and typically fail to extract these laws. Here, we propose {\em Causal Anonymous Walks (CAWs)} to inductively represent a temporal network. CAWs are extracted by temporal random walks and work as automatic retrieval of temporal network motifs to represent network dynamics while avoiding the time-consuming selection and counting of those motifs. CAWs adopt a novel anonymization strategy that replaces node identities with the hitting counts of the nodes based on a set of sampled walks to keep the method inductive, and simultaneously establish the correlation between motifs. We further propose a neural-network model CAW-N to encode CAWs, and pair it with a CAW sampling strategy with constant memory and time cost to support online training and inference. CAW-N is evaluated to predict links over 6 real temporal networks and uniformly outperforms previous SOTA methods by averaged 15\% AUC gain in the inductive setting. CAW-N also outperforms previous methods in 5 out of the 6 networks in the transductive setting.
Learning Incompressible Fluid Dynamics from Scratch - Towards Fast, Differentiable Fluid Models that Generalize
Authors: Nils Wandel, Michael Weinmann, Reinhard Klein
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Fast and stable fluid simulations are an essential prerequisite for applications ranging from computer-generated imagery to computer-aided design in research and development. However, solving the partial differential equations of incompressible fluids is a challenging task and traditional numerical approximation schemes come at high computational costs. Recent deep learning based approaches promise vast speed-ups but do not generalize to new fluid domains, require fluid simulation data for training, or rely on complex pipelines that outsource major parts of the fluid simulation to traditional methods.

In this work, we propose a novel physics-constrained training approach that generalizes to new fluid domains, requires no fluid simulation data, and allows convolutional neural networks to map a fluid state from time-point t to a subsequent state at time t+dt in a single forward pass. This simplifies the pipeline to train and evaluate neural fluid models. After training, the framework yields models that are capable of fast fluid simulations and can handle various fluid phenomena including the Magnus effect and Kármán vortex streets. We present an interactive real-time demo to show the speed and generalization capabilities of our trained models. Moreover, the trained neural networks are efficient differentiable fluid solvers as they offer a differentiable update step to advance the fluid simulation in time. We exploit this fact in a proof-of-concept optimal control experiment. Our models significantly outperform a recent differentiable fluid solver in terms of computational speed and accuracy.
Initialization and Regularization of Factorized Neural Layers
Authors: Mikhail Khodak, Neil A. Tenenholtz, Lester Mackey, Nicolo Fusi
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Factorized layers—operations parameterized by products of two or more matrices—occur in a variety of deep learning contexts, including compressed model training, certain types of knowledge distillation, and multi-head self-attention architectures. We study how to initialize and regularize deep nets containing such layers, examining two simple, understudied schemes, spectral initialization and Frobenius decay, for improving their performance. The guiding insight is to design optimization routines for these networks that are as close as possible to that of their well-tuned, non-decomposed counterparts; we back this intuition with an analysis of how the initialization and regularization schemes impact training with gradient descent, drawing on modern attempts to understand the interplay of weight-decay and batch-normalization. Empirically, we highlight the benefits of spectral initialization and Frobenius decay across a variety of settings. In model compression, we show that they enable low-rank methods to significantly outperform both unstructured sparsity and tensor methods on the task of training low-memory residual networks; analogs of the schemes also improve the performance of tensor decomposition techniques. For knowledge distillation, Frobenius decay enables a simple, overcomplete baseline that yields a compact model from over-parameterized training without requiring retraining with or pruning a teacher network. Finally, we show how both schemes applied to multi-head attention lead to improved performance on both translation and unsupervised pre-training.
DARTS-: Robustly Stepping out of Performance Collapse Without Indicators
Authors: Xiangxiang Chu, Xiaoxing Wang, Bo Zhang, Shun Lu, Xiaolin Wei, Junchi Yan
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Despite the fast development of differentiable architecture search (DARTS), it suffers from a standing instability issue regarding searching performance, which extremely limits its application. Existing robustifying methods draw clues from the outcome instead of finding out the causing factor. Various indicators such as Hessian eigenvalues are proposed as a signal of performance collapse, and the searching should be stopped once an indicator reaches a preset threshold.
However, these methods tend to easily reject good architectures if thresholds are inappropriately set, let alone the searching is intrinsically noisy. In this paper, we undertake a more subtle and direct approach to resolve the collapse. 
We first demonstrate that skip connections with a learnable architectural coefficient can easily recover from a disadvantageous state and become dominant.  We conjecture that skip connections profit too much from this privilege, hence causing the collapse for the derived model. Therefore, we propose to factor out this benefit with an auxiliary skip connection, ensuring a fairer competition for all operations. Extensive experiments on various datasets verify that our approach can substantially improve the robustness of DARTS. Our code is available at https://github.com/Meituan-AutoML/DARTS-
Do Wide and Deep Networks Learn the Same Things? Uncovering How Neural Network Representations Vary with Width and Depth
Authors: Thao Nguyen, Maithra Raghu, Simon Kornblith
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: A key factor in the success of deep neural networks is the ability to scale models to improve performance by varying the architecture depth and width. This simple property of neural network design has resulted in highly effective architectures for a variety of tasks. Nevertheless, there is limited understanding of effects of depth and width on the learned representations. In this paper, we study this fundamental question. We begin by investigating how varying depth and width affects model hidden representations, finding a characteristic block structure in the hidden representations of larger capacity (wider or deeper) models. We demonstrate that this block structure arises when model capacity is large relative to the size of the training set, and is indicative of the underlying layers preserving and propagating the dominant principal component of their representations. This discovery has important ramifications for features learned by different models, namely, representations outside the block structure are often similar across architectures with varying widths and depths, but the block structure is unique to each model. We analyze the output predictions of different model architectures, finding that even when the overall accuracy is similar, wide and deep models exhibit distinctive error patterns and variations across classes.
Learning N:M  Fine-grained Structured Sparse Neural Networks From Scratch
Authors: Aojun Zhou, Yukun Ma, Junnan Zhu, Jianbo Liu, Zhijie Zhang, Kun Yuan, Wenxiu Sun, Hongsheng Li
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Sparsity in Deep Neural Networks (DNNs) has been widely studied to compress and accelerate the models on resource-constrained environments. It can be generally categorized into unstructured fine-grained sparsity that zeroes out multiple individual weights distributed across the neural network, and structured coarse-grained sparsity which prunes blocks of sub-networks of a neural network. Fine-grained sparsity can achieve a high compression ratio but is not hardware friendly and hence receives limited speed gains. On the other hand, coarse-grained sparsity cannot simultaneously achieve both apparent acceleration on modern GPUs and
decent performance. In this paper, we are the first to study training from scratch an N:M fine-grained structured sparse network, which can maintain the advantages of both unstructured fine-grained sparsity and structured coarse-grained sparsity simultaneously on specifically designed GPUs. Specifically, a 2 : 4 sparse network could achieve 2× speed-up without performance drop on Nvidia A100 GPUs. Furthermore, we propose a novel and effective ingredient, sparse-refined straight-through estimator (SR-STE), to alleviate the negative influence of the approximated gradients computed by vanilla STE during optimization. We also define a metric, Sparse Architecture Divergence (SAD), to measure the sparse network’s topology change during the training process. Finally, We justify SR-STE’s advantages with SAD and demonstrate the effectiveness of SR-STE by performing
comprehensive experiments on various tasks. Anonymous code and model will be at available at https://github.com/anonymous-NM-sparsity/NM-sparsity.
Disambiguating Symbolic Expressions in Informal Documents
Authors: Dennis Müller, Cezary Kaliszyk
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: We propose the task of \emph{disambiguating} symbolic expressions in informal STEM documents in the form of \LaTeX files -- that is, determining their precise semantics and abstract syntax tree -- as a neural machine translation task. We discuss the distinct challenges involved and present a dataset with roughly 33,000 entries. We evaluated several baseline models on this dataset, which failed to yield even syntactically valid \LaTeX before overfitting. Consequently, we describe a methodology using a \emph{transformer} language model pre-trained on sources obtained from \url{arxiv.org}, which yields promising results despite the small size of the dataset. We evaluate our model using a plurality of dedicated techniques, taking syntax and semantics of symbolic expressions into account.
Tilted Empirical Risk Minimization
Authors: Tian Li, Ahmad Beirami, Maziar Sanjabi, Virginia Smith
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Empirical risk minimization (ERM) is typically designed to perform well on the average loss, which can result in estimators that are sensitive to outliers, generalize poorly, or treat subgroups unfairly. While many methods aim to address these problems individually, in this work, we explore them through a unified framework---tilted empirical risk minimization (TERM). In particular, we show that it is possible to flexibly tune the impact of individual losses through a straightforward extension to ERM using a hyperparameter called the tilt. We provide several interpretations of the resulting framework: We show that TERM can increase or decrease the influence of outliers, respectively, to enable fairness or robustness; has variance-reduction properties that can benefit generalization; and can be viewed as a smooth approximation to a superquantile method. We develop batch and stochastic first-order optimization methods for solving TERM, and show that the problem can be efficiently solved relative to common alternatives. Finally, we demonstrate that TERM can be used for a multitude of applications, such as enforcing fairness between subgroups, mitigating the effect of outliers, and handling class imbalance. TERM is not only competitive with existing solutions tailored to these individual problems, but can also enable entirely new applications, such as simultaneously addressing outliers and promoting fairness.
ARMOURED: Adversarially Robust MOdels using Unlabeled data by REgularizing Diversity
Authors: Kangkang Lu, Cuong Manh Nguyen, Xun Xu, Kiran Krishnamachari, Yu Jing Goh, Chuan-Sheng Foo
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Adversarial attacks pose a major challenge for modern deep neural networks. Recent advancements show that adversarially robust generalization requires a large amount of labeled data for training. If annotation becomes a burden, can unlabeled data help bridge the gap? In this paper, we propose ARMOURED, an adversarially robust training method based on semi-supervised learning that consists of two components. The first component applies multi-view learning to simultaneously optimize multiple independent networks and utilizes unlabeled data to enforce labeling consistency. The second component reduces adversarial transferability among the networks via diversity regularizers inspired by determinantal point processes and entropy maximization. Experimental results show that under small perturbation budgets, ARMOURED is robust against strong adaptive adversaries. Notably, ARMOURED does not rely on generating adversarial samples during training. When used in combination with adversarial training, ARMOURED yields competitive performance with the state-of-the-art adversarially-robust benchmarks on SVHN and outperforms them on CIFAR-10, while offering higher clean accuracy.
Gauge Equivariant Mesh CNNs: Anisotropic convolutions on geometric graphs
Authors: Pim De Haan, Maurice Weiler, Taco Cohen, Max Welling
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: A common approach to define convolutions on meshes is to interpret them as a graph and apply graph convolutional networks (GCNs).  Such GCNs utilize isotropic kernels and are therefore insensitive to the relative orientation of vertices and thus to the geometry of the mesh as a whole. We propose Gauge Equivariant Mesh CNNs which generalize GCNs to apply anisotropic gauge equivariant kernels. Since the resulting features carry orientation information, we introduce a geometric message passing scheme defined by parallel transporting features over mesh edges. Our experiments validate the significantly improved expressivity of the proposed model over conventional GCNs and other methods.
Group Equivariant Stand-Alone Self-Attention For Vision
Authors: David W. Romero, Jean-Baptiste Cordonnier
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: We provide a general self-attention formulation to impose group equivariance to arbitrary symmetry groups. This is achieved by defining positional encodings that are invariant to the action of the group considered. Since the group acts on the positional encoding directly, group equivariant self-attention networks (GSA-Nets) are steerable by nature. Our experiments on vision benchmarks demonstrate consistent improvements of GSA-Nets over non-equivariant self-attention networks.
On Statistical Bias In Active Learning: How and When to Fix It
Authors: Sebastian Farquhar, Yarin Gal, Tom Rainforth
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Active learning is a powerful tool when labelling data is expensive, but it introduces a bias because the training data no longer follows the population distribution. We formalize this bias and investigate the situations in which it can be harmful and sometimes even helpful. We further introduce novel corrective weights to remove bias when doing so is beneficial. Through this, our work not only provides a useful mechanism that can improve the active learning approach, but also an explanation for the empirical successes of various existing approaches which ignore this bias. In particular, we show that this bias can be actively helpful when training overparameterized models---like neural networks---with relatively modest dataset sizes.
Directed Acyclic Graph Neural Networks
Authors: Veronika Thost, Jie Chen
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Graph-structured data ubiquitously appears in science and engineering. Graph neural networks (GNNs) are designed to exploit the relational inductive bias exhibited in graphs; they have been shown to outperform other forms of neural networks in scenarios where structure information supplements node features. The most common GNN architecture aggregates information from neighborhoods based on message passing. Its generality has made it broadly applicable. In this paper, we focus on a special, yet widely used, type of graphs---DAGs---and inject a stronger inductive bias---partial ordering---into the neural network design. We propose the directed acyclic graph neural network, DAGNN, an architecture that processes information according to the flow defined by the partial order. DAGNN can be considered a framework that entails earlier works as special cases (e.g., models for trees and models updating node representations recurrently), but we identify several crucial components that prior architectures lack. We perform comprehensive experiments, including ablation studies, on representative DAG datasets (i.e., source code, neural architectures, and probabilistic graphical models) and demonstrate the superiority of DAGNN over simpler DAG architectures as well as general graph architectures.
Interpreting and Boosting Dropout from a Game-Theoretic View
Authors: Hao Zhang, Sen Li, YinChao Ma, Mingjie Li, Yichen Xie, Quanshi Zhang
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: This paper aims to understand and improve the utility of the dropout operation from the perspective of game-theoretical interactions. We prove that dropout can suppress the strength of interactions between input variables of deep neural networks (DNNs). The theoretical proof is also verified by various experiments. Furthermore, we find that such interactions were strongly related to the over-fitting problem in deep learning. So, the utility of dropout can be regarded as decreasing interactions to alleviating the significance of over-fitting. Based on this understanding, we propose the interaction loss to further improve the utility of dropout. Experimental results on various DNNs and datasets have shown that the interaction loss can effectively improve the utility of dropout and boost the performance of DNNs.
Free Lunch for Few-shot Learning:  Distribution Calibration
Authors: Shuo Yang, Lu Liu, Min Xu
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Learning from a limited number of samples is challenging since the learned model can easily become overfitted based on the biased distribution formed by only a few training examples. In this paper, we calibrate the distribution of these few-sample classes by transferring statistics from the classes with sufficient examples. Then an adequate number of examples can be sampled from the calibrated distribution to expand the inputs to the classifier. We assume every dimension in the feature representation follows a Gaussian distribution so that the mean and the variance of the distribution can borrow from that of similar classes whose statistics are better estimated with an adequate number of samples. Our method can be built on top of off-the-shelf pretrained feature extractors and classification models without extra parameters. We show that a simple logistic regression classifier trained using the features sampled from our calibrated distribution can outperform the state-of-the-art accuracy on three datasets (~5% improvement on miniImageNet compared to the next best). The visualization of these generated features demonstrates that our calibrated distribution is an accurate estimation.
Accurate Learning of Graph Representations with Graph Multiset Pooling
Authors: Jinheon Baek, Minki Kang, Sung Ju Hwang
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function that maps a set of node representations into a compact form. A simple sum or average over all node representations considers all node features equally without consideration of their task relevance, and any structural dependencies among them. Recently proposed hierarchical graph pooling methods, on the other hand, may yield the same representation for two different graphs that are distinguished by the Weisfeiler-Lehman test, as they suboptimally preserve information from the node features. To tackle these limitations of existing graph pooling methods, we first formulate the graph pooling problem as a multiset encoding problem with auxiliary information about the graph structure, and propose a Graph Multiset Transformer (GMT) which is a multi-head attention based global pooling layer that captures the interaction between nodes according to their structural dependencies. We show that GMT satisfies both injectiveness and permutation invariance, such that it is at most as powerful as the Weisfeiler-Lehman graph isomorphism test. Moreover, our methods can be easily extended to the previous node clustering approaches for hierarchical graph pooling. Our experimental results show that GMT significantly outperforms state-of-the-art graph pooling methods on graph classification benchmarks with high memory and time efficiency, and obtains even larger performance gain on graph reconstruction and generation tasks.
Neural Jump Ordinary Differential Equations: Consistent Continuous-Time Prediction and Filtering
Authors: Calypso Herrera, Florian Krach, Josef Teichmann
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: Combinations of neural ODEs with recurrent neural networks (RNN), like GRU-ODE-Bayes or ODE-RNN are well suited to model irregularly observed time series. While those models outperform existing discrete-time approaches, no theoretical guarantees for their predictive capabilities are available. Assuming that the irregularly-sampled time series data originates from a continuous stochastic process, the $L^2$-optimal online prediction is the conditional expectation given the currently available information. We introduce the Neural Jump ODE (NJ-ODE) that provides a data-driven approach to learn, continuously in time, the conditional expectation of a stochastic process. Our approach models the conditional expectation between two observations with a neural ODE and jumps whenever a new observation is made. We define a novel training framework, which allows us to prove theoretical guarantees for the first time. In particular, we show that the output of our model converges to the $L^2$-optimal prediction. This can be interpreted as solution to a special filtering problem. We provide experiments showing that the theoretical results also hold empirically. Moreover, we experimentally show that our model outperforms the baselines in more complex learning tasks and give comparisons on real-world datasets.
Fantastic Four: Differentiable and Efficient Bounds on Singular Values of Convolution Layers
Authors: Sahil Singla, Soheil Feizi
Published in: International Conference on Learning Representations 2021 (Main Conference Track), 2021

Abstract: In deep neural networks, the spectral norm of the Jacobian of a layer bounds the factor by which the norm of a signal changes during forward/backward propagation. Spectral norm regularizations have been shown to improve generalization, robustness and optimization of deep learning methods. Existing methods to compute the spectral norm of convolution layers either rely on heuristics that are efficient in computation but lack guarantees or are theoretically-sound but computationally expensive. In this work, we obtain the best of both worlds by deriving {\it four} provable upper bounds on the spectral norm of a standard 2D multi-channel convolution layer. These bounds are differentiable and can be computed efficiently during training with negligible overhead. One of these bounds is in fact the popular heuristic method of Miyato et al. (multiplied by a constant factor depending on filter sizes). Each of these four bounds can achieve the tightest gap depending on convolution filters. Thus, we propose to use the minimum of these four bounds as a tight, differentiable and efficient upper bound on the spectral norm of convolution layers. Moreover, our spectral bound is an effective regularizer and can be used to bound either the lipschitz constant or curvature values (eigenvalues of the Hessian) of neural networks. Through experiments on MNIST and CIFAR-10, we demonstrate the effectiveness of our spectral bound in improving generalization and robustness of deep networks.