Automl的一个重要目标是自动化在探索域内的新任务上的神经网络设计。通过这一目标激励，我们研究了使用户能够发现来自其特定域的数据的正确神经操作的问题。我们介绍一个名为XD-Operation的搜索空间，这些操作模仿标准多通道卷曲的归纳偏差，同时更具表现力：我们证明它包括多个应用程序区域的许多命名操作。从Reset等任何标准骨干开始，我们展示了如何通过XD操作将其转换为搜索空间以及如何使用简单的权重共享方案遍历空间。在各种任务组合 - 求解PDES，距离蛋白质折叠和音乐建模的距离预测 - 我们的方法一致地产生比基线网络更低的误差的模型，并且通常更低的误差比专业设计的域特定方法更低。

大多数现有的神经体系结构搜索（NAS）基准和算法优先考虑了良好的任务，例如CIFAR或Imagenet上的图像分类。这使得在更多样化的领域的NAS方法的表现知之甚少。在本文中，我们提出了NAS-Bench-360，这是一套基准套件，用于评估超出建筑搜索传统研究的域的方法，并使用它来解决以下问题：最先进的NAS方法在多样化的任务？为了构建基准测试，我们策划了十个任务，这些任务涵盖了各种应用程序域，数据集大小，问题维度和学习目标。小心地选择每个任务与现代CNN的搜索方法互操作，同时可能与其原始开发领域相距遥远。为了加快NAS研究的成本，对于其中两个任务，我们发布了包括标准CNN搜索空间的15,625个体系结构的预定性能。在实验上，我们表明需要对NAS BENCH-360进行更强大的NAS评估，从而表明几种现代NAS程序在这十个任务中执行不一致，并且有许多灾难性差的结果。我们还展示了NAS Bench-360及其相关的预算结果将如何通过测试NAS文献中最近推广的一些假设来实现未来的科学发现。 NAS-Bench-360托管在https://nb360.ml.cmu.edu上。

序列建模的一个中心目标是设计一个单个原则模型，该模型可以解决各种方式和任务，尤其是在远程依赖方面的序列数据。尽管包括RNN，CNN和Transformers在内的传统模型具有用于捕获长期依赖性的专业变体，但它们仍然很难扩展到长时间的10000美元或更多步骤。通过模拟基本状态空间模型（SSM）\（x'（t）= ax（t）= ax（t） + bu（t），y（t）= cx（t） + du（t） + du（t）\ ), and showed that for appropriate choices of the state matrix \( A \), this system could handle long-range dependencies mathematically and empirically.但是，该方法具有过度的计算和内存需求，使其无法作为一般序列建模解决方案。我们根据SSM的新参数化提出了结构化状态空间序列模型（S4），并表明它可以比以前的方法更有效地计算出其理论强度。我们的技术涉及对\（a \）进行低级校正的调节，从而使其对角度稳定，并将SSM降低到库奇内核的精心研究的计算中。 S4在各种既定的基准测试范围内取得了强劲的经验结果，包括（i）在顺序CIFAR-10上的91 \％精度，没有数据增强或辅助损失，与较大的2-D Resnet相当，（ii）实质上关闭。在图像和语言建模任务上与变形金刚的差距，同时在远程竞技场基准的每个任务上执行每一代$ 60 \ times $ $（iii）sota，包括求解所有先前工作的挑战性path-x任务，而所有先前工作的长度为16K，同时与所有竞争对手一样高效。

In the past few years, neural architecture search (NAS) has become an increasingly important tool within the deep learning community. Despite the many recent successes of NAS, however, most existing approaches operate within highly structured design spaces, and hence explore only a small fraction of the full search space of neural architectures while also requiring significant manual effort from domain experts. In this work, we develop techniques that enable efficient NAS in a significantly larger design space. To accomplish this, we propose to perform NAS in an abstract search space of program properties. Our key insights are as follows: (1) the abstract search space is significantly smaller than the original search space, and (2) architectures with similar program properties also have similar performance; thus, we can search more efficiently in the abstract search space. To enable this approach, we also propose a novel efficient synthesis procedure, which accepts a set of promising program properties, and returns a satisfying neural architecture. We implement our approach, $\alpha$NAS, within an evolutionary framework, where the mutations are guided by the program properties. Starting with a ResNet-34 model, $\alpha$NAS produces a model with slightly improved accuracy on CIFAR-10 but 96% fewer parameters. On ImageNet, $\alpha$NAS is able to improve over Vision Transformer (30% fewer FLOPS and parameters), ResNet-50 (23% fewer FLOPS, 14% fewer parameters), and EfficientNet (7% fewer FLOPS and parameters) without any degradation in accuracy.

神经网络的经典发展主要集中在有限维欧基德空间或有限组之间的学习映射。我们提出了神经网络的概括，以学习映射无限尺寸函数空间之间的运算符。我们通过一类线性积分运算符和非线性激活函数的组成制定运营商的近似，使得组合的操作员可以近似复杂的非线性运算符。我们证明了我们建筑的普遍近似定理。此外，我们介绍了四类运算符参数化：基于图形的运算符，低秩运算符，基于多极图形的运算符和傅里叶运算符，并描述了每个用于用每个计算的高效算法。所提出的神经运营商是决议不变的：它们在底层函数空间的不同离散化之间共享相同的网络参数，并且可以用于零击超分辨率。在数值上，与现有的基于机器学习的方法，达西流程和Navier-Stokes方程相比，所提出的模型显示出卓越的性能，而与传统的PDE求解器相比，与现有的基于机器学习的方法有关的基于机器学习的方法。

Neural architecture search (NAS) is a promising research direction that has the potential to replace expert-designed networks with learned, task-specific architectures. In this work, in order to help ground the empirical results in this field, we propose new NAS baselines that build off the following observations: (i) NAS is a specialized hyperparameter optimization problem; and (ii) random search is a competitive baseline for hyperparameter optimization. Leveraging these observations, we evaluate both random search with early-stopping and a novel random search with weight-sharing algorithm on two standard NAS benchmarks-PTB and CIFAR-10. Our results show that random search with early-stopping is a competitive NAS baseline, e.g., it performs at least as well as ENAS [41], a leading NAS method, on both benchmarks. Additionally, random search with weight-sharing outperforms random search with early-stopping, achieving a state-of-the-art NAS result on PTB and a highly competitive result on CIFAR-10. Finally, we explore the existing reproducibility issues of published NAS results. We note the lack of source material needed to exactly reproduce these results, and further discuss the robustness of published results given the various sources of variability in NAS experimental setups. Relatedly, we provide all information (code, random seeds, documentation) needed to exactly reproduce our results, and report our random search with weight-sharing results for each benchmark on multiple runs.

This paper addresses the scalability challenge of architecture search by formulating the task in a differentiable manner. Unlike conventional approaches of applying evolution or reinforcement learning over a discrete and non-differentiable search space, our method is based on the continuous relaxation of the architecture representation, allowing efficient search of the architecture using gradient descent. Extensive experiments on CIFAR-10, ImageNet, Penn Treebank and WikiText-2 show that our algorithm excels in discovering high-performance convolutional architectures for image classification and recurrent architectures for language modeling, while being orders of magnitude faster than state-of-the-art non-differentiable techniques. Our implementation has been made publicly available to facilitate further research on efficient architecture search algorithms.

神经结构中的标准范例（NAS）是搜索具有特定操作和连接的完全确定性体系结构。在这项工作中，我们建议寻找最佳运行分布，从而提供了一种随机和近似解，可用于采样任意长度的架构。我们提出并显示，给定架构单元格，其性能主要取决于使用的操作的比率，而不是典型的搜索空间中的任何特定连接模式;也就是说，操作排序的小变化通常是无关紧要的。这种直觉与任何特定的搜索策略都具有正交，并且可以应用于多样化的NAS算法。通过对4数据集和4个NAS技术的广泛验证（贝叶斯优化，可分辨率搜索，本地搜索和随机搜索），我们表明操作分布（1）保持足够的辨别力来可靠地识别解决方案，并且（2）显着识别比传统的编码更容易优化，导致大量速度，几乎没有成本性能。实际上，这种简单的直觉显着降低了电流方法的成本，并可能使NAS用于更广泛的应用中。

深度学习技术在各种任务中都表现出了出色的有效性，并且深度学习具有推进多种应用程序（包括在边缘计算中）的潜力，其中将深层模型部署在边缘设备上，以实现即时的数据处理和响应。一个关键的挑战是，虽然深层模型的应用通常会产生大量的内存和计算成本，但Edge设备通常只提供非常有限的存储和计算功能，这些功能可能会在各个设备之间差异很大。这些特征使得难以构建深度学习解决方案，以释放边缘设备的潜力，同时遵守其约束。应对这一挑战的一种有希望的方法是自动化有效的深度学习模型的设计，这些模型轻巧，仅需少量存储，并且仅产生低计算开销。该调查提供了针对边缘计算的深度学习模型设计自动化技术的全面覆盖。它提供了关键指标的概述和比较，这些指标通常用于量化模型在有效性，轻度和计算成本方面的水平。然后，该调查涵盖了深层设计自动化技术的三类最新技术：自动化神经体系结构搜索，自动化模型压缩以及联合自动化设计和压缩。最后，调查涵盖了未来研究的开放问题和方向。

While machine learning is traditionally a resource intensive task, embedded systems, autonomous navigation, and the vision of the Internet of Things fuel the interest in resource-efficient approaches. These approaches aim for a carefully chosen trade-off between performance and resource consumption in terms of computation and energy. The development of such approaches is among the major challenges in current machine learning research and key to ensure a smooth transition of machine learning technology from a scientific environment with virtually unlimited computing resources into everyday's applications. In this article, we provide an overview of the current state of the art of machine learning techniques facilitating these real-world requirements. In particular, we focus on deep neural networks (DNNs), the predominant machine learning models of the past decade. We give a comprehensive overview of the vast literature that can be mainly split into three non-mutually exclusive categories: (i) quantized neural networks, (ii) network pruning, and (iii) structural efficiency. These techniques can be applied during training or as post-processing, and they are widely used to reduce the computational demands in terms of memory footprint, inference speed, and energy efficiency. We also briefly discuss different concepts of embedded hardware for DNNs and their compatibility with machine learning techniques as well as potential for energy and latency reduction. We substantiate our discussion with experiments on well-known benchmark datasets using compression techniques (quantization, pruning) for a set of resource-constrained embedded systems, such as CPUs, GPUs and FPGAs. The obtained results highlight the difficulty of finding good trade-offs between resource efficiency and predictive performance.

The automated machine learning (AutoML) field has become increasingly relevant in recent years. These algorithms can develop models without the need for expert knowledge, facilitating the application of machine learning techniques in the industry. Neural Architecture Search (NAS) exploits deep learning techniques to autonomously produce neural network architectures whose results rival the state-of-the-art models hand-crafted by AI experts. However, this approach requires significant computational resources and hardware investments, making it less appealing for real-usage applications. This article presents the third version of Pareto-Optimal Progressive Neural Architecture Search (POPNASv3), a new sequential model-based optimization NAS algorithm targeting different hardware environments and multiple classification tasks. Our method is able to find competitive architectures within large search spaces, while keeping a flexible structure and data processing pipeline to adapt to different tasks. The algorithm employs Pareto optimality to reduce the number of architectures sampled during the search, drastically improving the time efficiency without loss in accuracy. The experiments performed on images and time series classification datasets provide evidence that POPNASv3 can explore a large set of assorted operators and converge to optimal architectures suited for the type of data provided under different scenarios.

Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics, and explores how to make it more robust--and deep learning for mathematics, where deep learning algorithms are used to solve problems in mathematics. The latter has popularised the field of scientific machine learning where deep learning is applied to problems in scientific computing. Specifically, more and more neural network architectures have been developed to solve specific classes of partial differential equations (PDEs). Such methods exploit properties that are inherent to PDEs and thus solve the PDEs better than classical feed-forward neural networks, recurrent neural networks, and convolutional neural networks. This has had a great impact in the area of mathematical modeling where parametric PDEs are widely used to model most natural and physical processes arising in science and engineering, In this work, we review such methods and extend them for parametric studies as well as for solving the related inverse problems. We equally proceed to show their relevance in some industrial applications.

Deep Learning has enabled remarkable progress over the last years on a variety of tasks, such as image recognition, speech recognition, and machine translation. One crucial aspect for this progress are novel neural architectures. Currently employed architectures have mostly been developed manually by human experts, which is a time-consuming and errorprone process. Because of this, there is growing interest in automated neural architecture search methods. We provide an overview of existing work in this field of research and categorize them according to three dimensions: search space, search strategy, and performance estimation strategy.

Neural networks require careful weight initialization to prevent signals from exploding or vanishing. Existing initialization schemes solve this problem in specific cases by assuming that the network has a certain activation function or topology. It is difficult to derive such weight initialization strategies, and modern architectures therefore often use these same initialization schemes even though their assumptions do not hold. This paper introduces AutoInit, a weight initialization algorithm that automatically adapts to different neural network architectures. By analytically tracking the mean and variance of signals as they propagate through the network, AutoInit appropriately scales the weights at each layer to avoid exploding or vanishing signals. Experiments demonstrate that AutoInit improves performance of convolutional, residual, and transformer networks across a range of activation function, dropout, weight decay, learning rate, and normalizer settings, and does so more reliably than data-dependent initialization methods. This flexibility allows AutoInit to initialize models for everything from small tabular tasks to large datasets such as ImageNet. Such generality turns out particularly useful in neural architecture search and in activation function discovery. In these settings, AutoInit initializes each candidate appropriately, making performance evaluations more accurate. AutoInit thus serves as an automatic configuration tool that makes design of new neural network architectures more robust. The AutoInit package provides a wrapper around TensorFlow models and is available at https://github.com/cognizant-ai-labs/autoinit.

这本数字本书包含在物理模拟的背景下与深度学习相关的一切实际和全面的一切。尽可能多，所有主题都带有Jupyter笔记本的形式的动手代码示例，以便快速入门。除了标准的受监督学习的数据中，我们将看看物理丢失约束，更紧密耦合的学习算法，具有可微分的模拟，以及加强学习和不确定性建模。我们生活在令人兴奋的时期：这些方法具有从根本上改变计算机模拟可以实现的巨大潜力。

We propose Efficient Neural Architecture Search (ENAS), a fast and inexpensive approach for automatic model design. In ENAS, a controller discovers neural network architectures by searching for an optimal subgraph within a large computational graph. The controller is trained with policy gradient to select a subgraph that maximizes the expected reward on a validation set. Meanwhile the model corresponding to the selected subgraph is trained to minimize a canonical cross entropy loss. Sharing parameters among child models allows ENAS to deliver strong empirical performances, while using much fewer GPUhours than existing automatic model design approaches, and notably, 1000x less expensive than standard Neural Architecture Search. On the Penn Treebank dataset, ENAS discovers a novel architecture that achieves a test perplexity of 55.8, establishing a new state-of-the-art among all methods without post-training processing. On the CIFAR-10 dataset, ENAS finds a novel architecture that achieves 2.89% test error, which is on par with the 2.65% test error of NAS-Net (Zoph et al., 2018).

Recent advances in neural architecture search (NAS) demand tremendous computational resources, which makes it difficult to reproduce experiments and imposes a barrier-to-entry to researchers without access to large-scale computation. We aim to ameliorate these problems by introducing NAS-Bench-101, the first public architecture dataset for NAS research. To build NAS-Bench-101, we carefully constructed a compact, yet expressive, search space, exploiting graph isomorphisms to identify 423k unique convolutional architectures. We trained and evaluated all of these architectures multiple times on CIFAR-10 and compiled the results into a large dataset of over 5 million trained models. This allows researchers to evaluate the quality of a diverse range of models in milliseconds by querying the precomputed dataset. We demonstrate its utility by analyzing the dataset as a whole and by benchmarking a range of architecture optimization algorithms.

We propose Efficient Neural Architecture Search (ENAS), a fast and inexpensive approach for automatic model design. ENAS constructs a large computational graph, where each subgraph represents a neural network architecture, hence forcing all architectures to share their parameters. A controller is trained with policy gradient to search for a subgraph that maximizes the expected reward on a validation set. Meanwhile a model corresponding to the selected subgraph is trained to minimize a canonical cross entropy loss. Sharing parameters among child models allows ENAS to deliver strong empirical performances, whilst using much fewer GPU-hours than existing automatic model design approaches, and notably, 1000x less expensive than standard Neural Architecture Search. On Penn Treebank, ENAS discovers a novel architecture that achieves a test perplexity of 56.3, on par with the existing state-of-the-art among all methods without post-training processing. On CIFAR-10, ENAS finds a novel architecture that achieves 2.89% test error, which is on par with the 2.65% test error of NASNet (Zoph et al., 2018).

我们提出了一种多移民通道（MGIC）方法，该方法可以解决参数数量相对于标准卷积神经网络（CNN）中的通道数的二次增长。因此，我们的方法解决了CNN中的冗余，这也被轻量级CNN的成功所揭示。轻巧的CNN可以达到与参数较少的标准CNN的可比精度。但是，权重的数量仍然随CNN的宽度四倍地缩放。我们的MGIC体系结构用MGIC对应物代替了每个CNN块，该块利用了小组大小的嵌套分组卷积的层次结构来解决此问题。因此，我们提出的架构相对于网络的宽度线性扩展，同时保留了通道的完整耦合，如标准CNN中。我们对图像分类，分割和点云分类进行的广泛实验表明，将此策略应用于Resnet和MobilenetV3等不同体系结构，可以减少参数的数量，同时获得相似或更好的准确性。

神经结构搜索（NAS）的成功受到过度计算要求的限制。虽然现代重量共享NAS方法，例如飞镖在单位数GPU天中可以完成搜索，但从共享权重中提取最终的最佳架构是众所周知的不可靠性。培训 - 速度估计（TSE），最近开发的普遍开发的普遍估计，以贝叶斯边缘似然解释的用来代替飞镖基于梯度优化的验证损失。这可以防止飞镖跳过连接崩溃，这显着提高了NASBench-201和原始飞镖搜索空间的性能。我们通过应用各种飞镖诊断来扩展这些结果，并显示不使用验证集产生的几种不寻常的行为。此外，我们的实验产生了在与操作选择相比，尽管通常在文献中受到有限的关注，但仍会产生对搜索性能的强烈影响的深度间隙和拓扑选择的具体示例。