Graph Convolutional Network (GCN) has been widely used in graph learning tasks. However, GCN-based models (GCNs) is an inherently coupled training framework repetitively conducting the complex neighboring aggregation, which leads to the limitation of flexibility in processing large-scale graph. With the depth of layers increases, the computational and memory cost of GCNs grow explosively due to the recursive neighborhood expansion. To tackle these issues, we present Node2Grids, a flexible uncoupled training framework that leverages the independent mapped data for obtaining the embedding. Instead of directly processing the coupled nodes as GCNs, Node2Grids supports a more efficacious method in practice, mapping the coupled graph data into the independent grid-like data which can be fed into the efficient Convolutional Neural Network (CNN). This simple but valid strategy significantly saves memory and computational resource while achieving comparable results with the leading GCN-based models. Specifically, by ranking each node's influence through degree, Node2Grids selects the most influential first-order as well as second-order neighbors with central node fusion information to construct the grid-like data. For further improving the efficiency of downstream tasks, a simple CNN-based neural network is employed to capture the significant information from the mapped grid-like data. Moreover, the grid-level attention mechanism is implemented, which enables implicitly specifying the different weights for neighboring nodes with different influences. In addition to the typical transductive and inductive learning tasks, we also verify our framework on million-scale graphs to demonstrate the superiority of the proposed Node2Grids model against the state-of-the-art GCN-based approaches.
School of Electrical, Computer, and Energy Engineering, Arizona State University（亚利桑那州立大学电气、计算机与能源工程学院）；Department of Electrical and Computer Engineering, Colorado State University（科罗拉多州立大学电气与计算机工程系）；DEVCOM Army Research Office（DEVCOM陆军研究办公室）；Department of Physics, Arizona State University（亚利桑那州立大学物理系）
CNRS（法国国家科学研究中心）；Université Paris-Dauphine, PSL Research University（巴黎多芬大学，巴黎文理研究大学）；RIKEN AIP（理化学研究所先进智能项目中心）；Kyoto University（京都大学）；The University of Tokyo（东京大学）
Ordinary supervised learning is useful when we have paired training data of input $X$ and output $Y$. However, such paired data can be difficult to collect in practice. In this paper, we consider the task of predicting $Y$ from $X$ when we have no paired data of them, but we have two separate, independent datasets of $X$ and $Y$ each observed with some mediating variable $U$, that is, we have two datasets $S_X = \{(X_i, U_i)\}$ and $S_Y = \{(U'_j, Y'_j)\}$. A naive approach is to predict $U$ from $X$ using $S_X$ and then $Y$ from $U$ using $S_Y$, but we show that this is not statistically cons…
Skolkovo Institute of Science and Technology（斯科尔科沃科学技术研究所）；Huawei Noah’s Ark Lab（华为诺亚方舟实验室）
Neural architecture search (NAS) targets at finding the optimal architecture of a neural network for a problem or a family of problems. Evaluations of neural architectures are very time-consuming. One of the possible ways to mitigate this issue is to use low-fidelity evaluations, namely training on a part of a dataset, fewer epochs, with fewer channels, etc. In this paper, we propose a bayesian multi-fidelity method for neural architecture search: MF-KD. The method relies on a new approach to low-fidelity evaluations of neural architectures by training for a few epochs using a knowledge distil…
University of Oxford（牛津大学）；Imperial College London（帝国理工学院）
Reliable yet efficient evaluation of generalisation performance of a proposed architecture is crucial to the success of neural architecture search (NAS). Traditional approaches face a variety of limitations: training each architecture to completion is prohibitively expensive, early stopped validation accuracy may correlate poorly with fully trained performance, and model-based estimators require large training sets. We instead propose to estimate the final test performance based on a simple measure of training speed. Our estimator is theoretically motivated by the connection between generalisa…
Neural architecture search has been shown to hold great promise towards the automation of deep learning. However in spite of its potential, neural architecture search remains quite costly. To this point, we propose a novel gradient-based framework for efficient architecture search by sharing information across several tasks. We start by training many model architectures on several related (training) tasks. When a new unseen task is presented, the framework performs architecture inference in order to quickly identify a good candidate architecture, before any model is trained on the new task. At…
Universidad de Málaga（马拉加大学）；Leiden University（莱顿大学）
Recurrent neural networks (RNNs) are a powerful approach for time series prediction. However, their performance is strongly affected by their architecture and hyperparameter settings. The architecture optimization of RNNs is a time-consuming task, where the search space is typically a mixture of real, integer and categorical values. To allow for shrinking and expanding the size of the network, the representation of architectures often has a variable length. In this paper, we propose to tackle the architecture optimization problem with a variant of the Bayesian Optimization (BO) algorithm. To r…
This paper investigates the intriguing question of whether we can create learning algorithms that automatically generate training data, learning environments, and curricula in order to help AI agents rapidly learn. We show that such algorithms are possible via Generative Teaching Networks (GTNs), a general approach that is, in theory, applicable to supervised, unsupervised, and reinforcement learning, although our experiments only focus on the supervised case. GTNs are deep neural networks that generate data and/or training environments that a learner (e.g. a freshly initialized neural network…
IT University of Copenhagen（哥本哈根信息技术大学）；Uber AI（优步人工智能实验室）
Deep reinforcement learning approaches have shown impressive results in a variety of different domains, however, more complex heterogeneous architectures such as world models require the different neural components to be trained separately instead of end-to-end. While a simple genetic algorithm recently showed end-to-end training is possible, it failed to solve a more complex 3D task. This paper presents a method called Deep Innovation Protection (DIP) that addresses the credit assignment problem in training complex heterogenous neural network models end-to-end for such environments. The main …
École polytechnique（巴黎综合理工学院）；Argonne National Laboratory（阿贡国家实验室）；CNRS/Inria-LISN（法国国家科学研究中心/法国国家信息与自动化研究所-LISN）；U. Paris-Saclay（巴黎萨克雷大学）
Developing high-performing predictive models for large tabular data sets is a challenging task. The state-of-the-art methods are based on expert-developed model ensembles from different supervised learning methods. Recently, automated machine learning (AutoML) is emerging as a promising approach to automate predictive model development. Neural architecture search (NAS) is an AutoML approach that generates and evaluates multiple neural network architectures concurrently and improves the accuracy of the generated models iteratively. A key issue in NAS, particularly for large data sets, is the la…
Seoul National University（首尔国立大学）；NAVER AI Lab（NAVER人工智能实验室）；NAVER CLOVA
In Neural Architecture Search (NAS), reducing the cost of architecture evaluation remains one of the most crucial challenges. Among a plethora of efforts to bypass training of each candidate architecture to convergence for evaluation, the Neural Tangent Kernel (NTK) is emerging as a promising theoretical framework that can be utilized to estimate the performance of a neural architecture at initialization. In this work, we revisit several at-initialization metrics that can be derived from the NTK and reveal their key shortcomings. Then, through the empirical analysis of the time evolution of NT…
University of Science and Technology of China（中国科学技术大学）；Microsoft Research Asia（微软亚洲研究院）
The ability to rank candidate architectures is the key to the performance of neural architecture search~(NAS). One-shot NAS is proposed to reduce the expense but shows inferior performance against conventional NAS and is not adequately stable. We investigate into this and find that the ranking correlation between architectures under one-shot training and the ones under stand-alone full training is poor, which misleads the algorithm to discover better architectures. Further, we show that the training of architectures of different sizes under the current one-shot method is imbalanced, which caus…
The benchmark datasets for neural architecture search (NAS) have been developed to alleviate the computationally expensive evaluation process and ensure a fair comparison. Recent NAS benchmarks only focus on architecture optimization, although the training hyperparameters affect the obtained model performances. Building the benchmark dataset for joint optimization of architecture and training hyperparameters is essential to further NAS research. The existing NAS-HPO-Bench is a benchmark for joint optimization, but it does not consider the network connectivity design as done in modern NAS algor…
Sichuan University（四川大学）；University of Electronic Science and Technology of China（电子科技大学）；Megvii Technology（旷视科技）
Neural Architecture Search (NAS) is an automatic technique that can search for well-performed architectures for a specific task. Although NAS surpasses human-designed architecture in many fields, the high computational cost of architecture evaluation it requires hinders its development. A feasible solution is to directly evaluate some metrics in the initial stage of the architecture without any training. NAS without training (WOT) score is such a metric, which estimates the final trained accuracy of the architecture through the ability to distinguish different inputs in the activation layer. H…
Neural architecture search (NAS) has gained immense popularity owing to its ability to automate neural architecture design. A number of training-free metrics are recently proposed to realize NAS without training, hence making NAS more scalable. Despite their competitive empirical performances, a unified theoretical understanding of these training-free metrics is lacking. As a consequence, (a) the relationships among these metrics are unclear, (b) there is no theoretical interpretation for their empirical performances, and (c) there may exist untapped potential in existing training-free NAS, wh…
Southern University of Science and Technology（南方科技大学）
In the recent past, neural architecture search (NAS) has attracted increasing attention from both academia and industries. Despite the steady stream of impressive empirical results, most existing NAS algorithms are computationally prohibitive to execute due to the costly iterations of stochastic gradient descent (SGD) training. In this work, we propose an effective alternative, dubbed Random-Weight Evaluation (RWE), to rapidly estimate the performance of network architectures. By just training the last linear classification layer, RWE reduces the computational cost of evaluating an architectur…
Robustifying and Boosting Training-Free Neural Architecture Search
National University of Singapore（新加坡国立大学）；Guangdong Lab of AI and Digital Economy (SZ)（广东人工智能与数字经济实验室（深圳））；Massachusetts Institute of Technology（麻省理工学院）
In differentiable neural architecture search (NAS) algorithms like DARTS, the training set used to update model weight and the validation set used to update model architectures are sampled from the same data distribution. Thus, the uncommon features in the dataset fail to receive enough attention during training. In this paper, instead of introducing more complex NAS algorithms, we explore the idea that adding quality synthesized datasets into training can help the classification model identify its weakness and improve recognition accuracy. We introduce a training strategy called ``Differentia…
Weight sharing has become a de facto standard in neural architecture search because it enables the search to be done on commodity hardware. However, recent works have empirically shown a ranking disorder between the performance of stand-alone architectures and that of the corresponding shared-weight networks. This violates the main assumption of weight-sharing NAS algorithms, thus limiting their effectiveness. We tackle this issue by proposing a regularization term that aims to maximize the correlation between the performance rankings of the shared-weight network and that of the standalone arc…
MixUp is a computer vision data augmentation technique that uses convex interpolations of input data and their labels to enhance model generalization during training. However, the application of MixUp to the natural language understanding (NLU) domain has been limited, due to the difficulty of interpolating text directly in the input space. In this study, we propose MixUp methods at the Input, Manifold, and sentence embedding levels for the transformer architecture, and apply them to finetune the BERT model for a diverse set of NLU tasks. We find that MixUp can improve model performance, as we…
Automatic neural architecture search techniques are becoming increasingly important in machine learning area. Especially, weight sharing methods have shown remarkable potentials on searching good network architectures with few computational resources. However, existing weight sharing methods mainly suffer limitations on searching strategies: these methods either uniformly train all network paths to convergence which introduces conflicts between branches and wastes a large amount of computation on unpromising candidates, or selectively train branches with different frequency which leads to unfa…
ETH Zürich（苏黎世联邦理工学院）；Università di Bologna（博洛尼亚大学）
The computational demands of neural architecture search (NAS) algorithms are usually directly proportional to the size of their target search spaces. Thus, limiting the search to high-quality subsets can greatly reduce the computational load of NAS algorithms. In this paper, we present Clustering-Based REDuction (C-BRED), a new technique to reduce the size of NAS search spaces. C-BRED reduces a NAS space by clustering the computational graphs associated with its architectures and selecting the most promising cluster using proxy statistics correlated with network accuracy. When considering the …
Neural Architecture Search (NAS) has shown excellent results in designing architectures for computer vision problems. NAS alleviates the need for human-defined settings by automating architecture design and engineering. However, NAS methods tend to be slow, as they require large amounts of GPU computation. This bottleneck is mainly due to the performance estimation strategy, which requires the evaluation of the generated architectures, mainly by training them, to update the sampler method. In this paper, we propose EPE-NAS, an efficient performance estimation strategy, that mitigates the probl…
Neural architecture search (NAS) typically consists of three main steps: training a super-network, training and evaluating sampled deep neural networks (DNNs), and training the discovered DNN. Most of the existing efforts speed up some steps at the cost of a significant slowdown of other steps or sacrificing the support of non-differentiable search metrics. The unbalanced reduction in the time spent per step limits the total search time reduction, and the inability to support non-differentiable search metrics limits the performance of discovered DNNs. In this paper, we present NetAdaptV2 with …
Center of Informatics（信息学中心）；Federal University of Pernambuco（伯南布哥联邦大学）；University of Pernambuco（伯南布哥大学）
The definition of a Neural Network architecture is one of the most critical and challenging tasks to perform. In this paper, we propose ParallelMLPs. ParallelMLPs is a procedure to enable the training of several independent Multilayer Perceptron Neural Networks with a different number of neurons and activation functions in parallel by exploring the principle of locality and parallelization capabilities of modern CPUs and GPUs. The core idea of this technique is to use a Modified Matrix Multiplication that replaces an ordinal matrix multiplication by two simple matrix operations that allow sepa…
Operator learning techniques have recently emerged as a powerful tool for learning maps between infinite-dimensional Banach spaces. Trained under appropriate constraints, they can also be effective in learning the solution operator of partial differential equations (PDEs) in an entirely self-supervised manner. In this work we analyze the training dynamics of deep operator networks (DeepONets) through the lens of Neural Tangent Kernel (NTK) theory, and reveal a bias that favors the approximation of functions with larger magnitudes. To correct this bias we propose to adaptively re-weight the imp…
Many existing neural architecture search (NAS) solutions rely on downstream training for architecture evaluation, which takes enormous computations. Considering that these computations bring a large carbon footprint, this paper aims to explore a green (namely environmental-friendly) NAS solution that evaluates architectures without training. Intuitively, gradients, induced by the architecture itself, directly decide the convergence and generalization results. It motivates us to propose the gradient kernel hypothesis: Gradients can be used as a coarse-grained proxy of downstream training to eva…
Transfer learning is a popular technique for improving the performance of neural networks. However, existing methods are limited to transferring parameters between networks with same architectures. We present a method for transferring parameters between neural networks with different architectures. Our method, called DPIAT, uses dynamic programming to match blocks and layers between architectures and transfer parameters efficiently. Compared to existing parameter prediction and random initialization methods, it significantly improves training efficiency and validation accuracy. In experiments …
State Key Laboratory of Networking and Switching Technology (BUPT)（网络与交换技术国家重点实验室（北京邮电大学））；Key Lab of High Confidence Software Technologies (Peking University)（高可信软件技术重点实验室（北京大学））
To preserve user privacy while enabling mobile intelligence, techniques have been proposed to train deep neural networks on decentralized data. However, training over decentralized data makes the design of neural architecture quite difficult as it already was. Such difficulty is further amplified when designing and deploying different neural architectures for heterogeneous mobile platforms. In this work, we propose an automatic neural architecture search into the decentralized training, as a new DNN training paradigm called Federated Neural Architecture Search, namely federated NAS. To deal wi…
College of Computer Science, Sichuan University（四川大学计算机学院）；Zhizhe Information Technology Services Company Limited（智哲信息技术服务有限公司）；School of Electrical and Computer Engineering, Oklahoma State University（俄克拉荷马州立大学电气与计算机工程学院）
Evolutionary Neural Architecture Search (ENAS) can automatically design the architectures of Deep Neural Networks (DNNs) using evolutionary computation algorithms. However, most ENAS algorithms require intensive computational resource, which is not necessarily available to the users interested. Performance predictors are a type of regression models which can assist to accomplish the search, while without exerting much computational resource. Despite various performance predictors have been designed, they employ the same training protocol to build the regression models: 1) sampling a set of DNN…
Deep neural networks (DNNs) are found to be vulnerable to adversarial attacks, and various methods have been proposed for the defense. Among these methods, adversarial training has been drawing increasing attention because of its simplicity and effectiveness. However, the performance of the adversarial training is greatly limited by the architectures of target DNNs, which often makes the resulting DNNs with poor accuracy and unsatisfactory robustness. To address this problem, we propose DSARA to automatically search for the neural architectures that are accurate and robust after adversarial tr…
College of Computer and Information Sciences（计算机与信息科学学院）；University of Massachusetts Amherst（马萨诸塞大学阿默斯特分校）
Deep neural networks have long training and processing times. Early exits added to neural networks allow the network to make early predictions using intermediate activations in the network in time-sensitive applications. However, early exits increase the training time of the neural networks. We introduce QuickNets: a novel cascaded training algorithm for faster training of neural networks. QuickNets are trained in a layer-wise manner such that each successive layer is only trained on samples that could not be correctly classified by the previous layers. We demonstrate that QuickNets can dynami…
This work investigates the usage of batch normalization in neural architecture search (NAS). Specifically, Frankle et al. find that training BatchNorm only can achieve nontrivial performance. Furthermore, Chen et al. claim that training BatchNorm only can speed up the training of the one-shot NAS supernet over ten times. Critically, there is no effort to understand 1) why training BatchNorm only can find the perform-well architectures with the reduced supernet-training time, and 2) what is the difference between the train-BN-only supernet and the standard-train supernet. We begin by showing th…
Neural Architecture Search (NAS) can automatically design well-performed architectures of Deep Neural Networks (DNNs) for the tasks at hand. However, one bottleneck of NAS is the prohibitively computational cost largely due to the expensive performance evaluation. The neural predictors can directly estimate the performance without any training of the DNNs to be evaluated, thus have drawn increasing attention from researchers. Despite their popularity, they also suffer a severe limitation: the shortage of annotated DNN architectures for effectively training the neural predictors. In this paper,…
Neural Architecture Search (NAS) yields state-of-the-art neural networks that outperform their best manually-designed counterparts. However, previous NAS methods search for architectures under one set of training hyper-parameters (i.e., a training recipe), overlooking superior architecture-recipe combinations. To address this, we present Neural Architecture-Recipe Search (NARS) to search both (a) architectures and (b) their corresponding training recipes, simultaneously. NARS utilizes an accuracy predictor that scores architecture and training recipes jointly, guiding both sample selection and…
Sun Yat-sen University（中山大学）；DarkMatter AI Research（DarkMatter AI 研究院）；Monash University（莫纳什大学）；University of Oxford（牛津大学）
Recently proposed neural architecture search (NAS) methods co-train billions of architectures in a supernet and estimate their potential accuracy using the network weights detached from the supernet. However, the ranking correlation between the architectures' predicted accuracy and their actual capability is incorrect, which causes the existing NAS methods' dilemma. We attribute this ranking correlation problem to the supernet training consistency shift, including feature shift and parameter shift. Feature shift is identified as dynamic input distributions of a hidden layer due to random path …
The influential Residual Networks designed by He et al. remain the gold-standard architecture in numerous scientific publications. They typically serve as the default architecture in studies, or as baselines when new architectures are proposed. Yet there has been significant progress on best practices for training neural networks since the inception of the ResNet architecture in 2015. Novel optimization & data-augmentation have increased the effectiveness of the training recipes. In this paper, we re-evaluate the performance of the vanilla ResNet-50 when trained with a procedure that integrate…
Deep neural networks continue to awe the world with their remarkable performance. Their predictions, however, are prone to be corrupted by adversarial examples that are imperceptible to humans. Current efforts to improve the robustness of neural networks against adversarial examples are focused on developing robust training methods, which update the weights of a neural network in a more robust direction. In this work, we take a step beyond training of the weight parameters and consider the problem of designing an adversarially robust neural architecture with high intrinsic robustness. We propo…
Predictor-based algorithms have achieved remarkable performance in the Neural Architecture Search (NAS) tasks. However, these methods suffer from high computation costs, as training the performance predictor usually requires training and evaluating hundreds of architectures from scratch. Previous works along this line mainly focus on reducing the number of architectures required to fit the predictor. In this work, we tackle this challenge from a different perspective - improve search efficiency by cutting down the computation budget of architecture training. We propose NOn-uniform Successive H…
University of Maryland（马里兰大学）；Google Research（谷歌研究院）
Innovations in neural architectures have fostered significant breakthroughs in language modeling and computer vision. Unfortunately, novel architectures often result in challenging hyper-parameter choices and training instability if the network parameters are not properly initialized. A number of architecture-specific initialization schemes have been proposed, but these schemes are not always portable to new architectures. This paper presents GradInit, an automated and architecture agnostic method for initializing neural networks. GradInit is based on a simple heuristic; the norm of each netwo…
Vision Transformers (ViTs) have underpinned the recent breakthroughs in computer vision. However, designing the architectures of ViTs is laborious and heavily relies on expert knowledge. To automate the design process and incorporate deployment flexibility, one-shot neural architecture search decouples the supernet training and architecture specialization for diverse deployment scenarios. To cope with an enormous number of sub-networks in the supernet, existing methods treat all architectures equally important and randomly sample some of them in each update step during training. During archite…
Neural Architecture Search (NAS) has been explosively studied to automate the discovery of top-performer neural networks. Current works require heavy training of supernet or intensive architecture evaluations, thus suffering from heavy resource consumption and often incurring search bias due to truncated training or approximations. Can we select the best neural architectures without involving any training and eliminate a drastic portion of the search cost? We provide an affirmative answer, by proposing a novel framework called training-free neural architecture search (TE-NAS). TE-NAS ranks arc…
University of California San Diego（加州大学圣迭戈分校）；Microsoft Research（微软研究院）；Microsoft（微软）
The Transformer architecture is ubiquitously used as the building block of large-scale autoregressive language models. However, finding architectures with the optimal trade-off between task performance (perplexity) and hardware constraints like peak memory utilization and latency is non-trivial. This is exacerbated by the proliferation of various hardware. We leverage the somewhat surprising empirical observation that the number of decoder parameters in autoregressive Transformers has a high rank correlation with task performance, irrespective of the architecture topology. This observation org…
