深度均衡网络（DEQ）是构建模型以进行计算的模型的一种有希望的方法。但是，与传统网络相比，对这些模型的理论理解仍然缺乏，部分原因是一组重量的重复应用。我们表明，DEQ对初始化的基质家族的高阶统计敏感。特别是，用正交或对称矩阵初始化可以在训练中提高稳定性。这为我们提供了初始化的实用处方，该处方允许以更广泛的初始重量量表进行训练。

神经切线核（NTK），定义为$ \ theta_ \ theta^f（x_1，x_2）= \ left [\ partial f（\ theta，x_1）\ big/\ big/\ partial \ partial \ theta \ theta \ the f（\ theta，x_2）\ big/\ partial \ theta \ right]^t $ where $ \ weft [\ partial f（\ theta，\ cdot）\ big/\ big/\ partial \ theta \ right] $是一个神经网络（nn）雅各布（Jacobian）已成为深度学习研究的核心研究对象。在无限宽度极限中，有时可以通过分析计算NTK，对于理解NN体系结构的训练和概括很有用。在有限的宽度下，NTK还用于更好地初始化NN，比较跨模型，执行体系结构搜索并进行元学习。不幸的是，众所周知，有限的宽度NTK计算昂贵，这严重限制了其实际实用程序。我们对有限宽度网络中NTK计算的计算和内存需求进行了第一个深入分析。利用神经网络的结构，我们进一步提出了两种新颖的算法，这些算法改变了有限宽度NTK的计算和内存要求的指数，从而极大地提高了效率。我们的算法可以以黑匣子方式应用于任何可区分功能，包括实现神经网络的功能。我们在https://github.com/google/neural-tangents的神经切线包（ARXIV：1912.02803）中开放我们的实现。

语言模型既展示了定量的改进，又展示了新的定性功能，随着规模的增加。尽管它们具有潜在的变革性影响，但这些新能力的特征却很差。为了为未来的研究提供信息，为破坏性的新模型能力做准备，并改善社会有害的效果，至关重要的是，我们必须了解目前和近乎未来的能力和语言模型的局限性。为了应对这一挑战，我们介绍了超越模仿游戏基准（Big Bench）。 Big Bench目前由204个任务组成，由132家机构的442位作者贡献。任务主题是多样的，从语言学，儿童发展，数学，常识性推理，生物学，物理学，社会偏见，软件开发等等。 Big-Bench专注于被认为超出当前语言模型的功能的任务。我们评估了OpenAI的GPT型号，Google内部密集变压器体系结构和大型基础上的开关稀疏变压器的行为，跨越了数百万到数十亿个参数。此外，一个人类专家评估者团队执行了所有任务，以提供强大的基准。研究结果包括：模型性能和校准都随规模改善，但绝对的术语（以及与评估者的性能相比）；在模型类中的性能非常相似，尽管带有稀疏性。逐渐和预测的任务通常涉及大量知识或记忆成分，而在临界规模上表现出“突破性”行为的任务通常涉及多个步骤或组成部分或脆性指标；社交偏见通常会随着含糊不清的环境而随着规模而增加，但这可以通过提示来改善。

可分辨率的编程技术在社区中广泛应用，负责过去几十年的机器学习文艺复兴。虽然这些方法是强大的，但它们有限制。在本简短的报告中，我们讨论了一种基于混乱的失效模式，这些失效模式出现在各种可分子的情况下，从经常性神经网络和数值物理模拟到培训学习优化器。我们追溯到正在研究的系统的雅各比亚的频谱，并为从业者可能预期这种未能破坏基于分化的优化算法的标准提供标准。

A longstanding goal in deep learning research has been to precisely characterize training and generalization. However, the often complex loss landscapes of neural networks have made a theory of learning dynamics elusive. In this work, we show that for wide neural networks the learning dynamics simplify considerably and that, in the infinite width limit, they are governed by a linear model obtained from the first-order Taylor expansion of the network around its initial parameters. Furthermore, mirroring the correspondence between wide Bayesian neural networks and Gaussian processes, gradient-based training of wide neural networks with a squared loss produces test set predictions drawn from a Gaussian process with a particular compositional kernel. While these theoretical results are only exact in the infinite width limit, we nevertheless find excellent empirical agreement between the predictions of the original network and those of the linearized version even for finite practically-sized networks. This agreement is robust across different architectures, optimization methods, and loss functions.

It has long been known that a single-layer fully-connected neural network with an i.i.d. prior over its parameters is equivalent to a Gaussian process (GP), in the limit of infinite network width. This correspondence enables exact Bayesian inference for infinite width neural networks on regression tasks by means of evaluating the corresponding GP. Recently, kernel functions which mimic multi-layer random neural networks have been developed, but only outside of a Bayesian framework. As such, previous work has not identified that these kernels can be used as covariance functions for GPs and allow fully Bayesian prediction with a deep neural network. In this work, we derive the exact equivalence between infinitely wide deep networks and GPs. We further develop a computationally efficient pipeline to compute the covariance function for these GPs. We then use the resulting GPs to perform Bayesian inference for wide deep neural networks on MNIST and CIFAR-10. We observe that trained neural network accuracy approaches that of the corresponding GP with increasing layer width, and that the GP uncertainty is strongly correlated with trained network prediction error. We further find that test performance increases as finite-width trained networks are made wider and more similar to a GP, and thus that GP predictions typically outperform those of finite-width networks. Finally we connect the performance of these GPs to the recent theory of signal propagation in random neural networks. * Both authors contributed equally to this work. † Work done as a member of the Google AI Residency program (g.co/airesidency). 1 Throughout this paper, we assume the conditions on the parameter distributions and nonlinearities are such that the Central Limit Theorem will hold; for instance, that the weight variance is scaled inversely proportional to the layer width.

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already been described in the literature. These models learn a message passing algorithm and aggregation procedure to compute a function of their entire input graph. At this point, the next step is to find a particularly effective variant of this general approach and apply it to chemical prediction benchmarks until we either solve them or reach the limits of the approach. In this paper, we reformulate existing models into a single common framework we call Message Passing Neural Networks (MPNNs) and explore additional novel variations within this framework. Using MPNNs we demonstrate state of the art results on an important molecular property prediction benchmark; these results are strong enough that we believe future work should focus on datasets with larger molecules or more accurate ground truth labels.Recently, large scale quantum chemistry calculation and molecular dynamics simulations coupled with advances in high throughput experiments have begun to generate data at an unprecedented rate. Most classical techniques do not make effective use of the larger amounts of data that are now available. The time is ripe to apply more powerful and flexible machine learning methods to these problems, assuming we can find models with suitable inductive biases. The symmetries of atomic systems suggest neural networks that operate on graph structured data and are invariant to graph isomorphism might also be appropriate for molecules. Sufficiently successful models could someday help automate challenging chemical search problems in drug discovery or materials science.In this paper, our goal is to demonstrate effective machine learning models for chemical prediction problems

Recent advances in deep learning have enabled us to address the curse of dimensionality (COD) by solving problems in higher dimensions. A subset of such approaches of addressing the COD has led us to solving high-dimensional PDEs. This has resulted in opening doors to solving a variety of real-world problems ranging from mathematical finance to stochastic control for industrial applications. Although feasible, these deep learning methods are still constrained by training time and memory. Tackling these shortcomings, Tensor Neural Networks (TNN) demonstrate that they can provide significant parameter savings while attaining the same accuracy as compared to the classical Dense Neural Network (DNN). In addition, we also show how TNN can be trained faster than DNN for the same accuracy. Besides TNN, we also introduce Tensor Network Initializer (TNN Init), a weight initialization scheme that leads to faster convergence with smaller variance for an equivalent parameter count as compared to a DNN. We benchmark TNN and TNN Init by applying them to solve the parabolic PDE associated with the Heston model, which is widely used in financial pricing theory.

Managing novelty in perception-based human activity recognition (HAR) is critical in realistic settings to improve task performance over time and ensure solution generalization outside of prior seen samples. Novelty manifests in HAR as unseen samples, activities, objects, environments, and sensor changes, among other ways. Novelty may be task-relevant, such as a new class or new features, or task-irrelevant resulting in nuisance novelty, such as never before seen noise, blur, or distorted video recordings. To perform HAR optimally, algorithmic solutions must be tolerant to nuisance novelty, and learn over time in the face of novelty. This paper 1) formalizes the definition of novelty in HAR building upon the prior definition of novelty in classification tasks, 2) proposes an incremental open world learning (OWL) protocol and applies it to the Kinetics datasets to generate a new benchmark KOWL-718, 3) analyzes the performance of current state-of-the-art HAR models when novelty is introduced over time, 4) provides a containerized and packaged pipeline for reproducing the OWL protocol and for modifying for any future updates to Kinetics. The experimental analysis includes an ablation study of how the different models perform under various conditions as annotated by Kinetics-AVA. The protocol as an algorithm for reproducing experiments using the KOWL-718 benchmark will be publicly released with code and containers at https://github.com/prijatelj/human-activity-recognition-in-an-open-world. The code may be used to analyze different annotations and subsets of the Kinetics datasets in an incremental open world fashion, as well as be extended as further updates to Kinetics are released.

FSS(Few-shot segmentation)~aims to segment a target class with a small number of labeled images (support Set). To extract information relevant to target class, a dominant approach in best performing FSS baselines removes background features using support mask. We observe that this support mask presents an information bottleneck in several challenging FSS cases e.g., for small targets and/or inaccurate target boundaries. To this end, we present a novel method (MSI), which maximizes the support-set information by exploiting two complementary source of features in generating super correlation maps. We validate the effectiveness of our approach by instantiating it into three recent and strong FSS baselines. Experimental results on several publicly available FSS benchmarks show that our proposed method consistently improves the performance by visible margins and allows faster convergence. Our codes and models will be publicly released.