尽管通常认为在高维度中学习受到维度的诅咒，但现代的机器学习方法通​​常具有惊人的力量，可以解决广泛的挑战性现实世界学习问题而无需使用大量数据。这些方法如何打破这种诅咒仍然是深度学习理论中的一个基本开放问题。尽管以前的努力通过研究数据（D），模型（M）和推理算法（i）作为独立模块来研究了这个问题，但在本文中，我们将三胞胎（D，M，I）分析为集成系统和确定有助于减轻维度诅咒的重要协同作用。我们首先研究了与各种学习算法（M，i）相关的基本对称性，重点是深度学习中的四个原型体系结构：完全连接的网络（FCN），本地连接的网络（LCN）和卷积网络，而无需合并（有和没有合并）（ GAP/VEC）。我们发现，当这些对称性与数据分布的对称性兼容时，学习是最有效的，并且当（d，m，i）三重态的任何成员不一致或次优时，性能会显着恶化。

我们引入了重新定性，这是一种数据依赖性的重新聚集化，将贝叶斯神经网络（BNN）转化为后部的分布，其KL对BNN对BNN的差异随着层宽度的增长而消失。重新定义图直接作用于参数，其分析简单性补充了宽BNN在功能空间中宽BNN的已知神经网络过程（NNGP）行为。利用重新定性，我们开发了马尔可夫链蒙特卡洛（MCMC）后采样算法，该算法将BNN更快地混合在一起。这与MCMC在高维度上的表现差异很差。对于完全连接和残留网络，我们观察到有效样本量高达50倍。在各个宽度上都取得了改进，并在层宽度的重新培训和标准BNN之间的边缘。

随机梯度下降（SGD）是现代机器学习的支柱，是各种问题的首选优化算法。尽管SGD的经验成功通常归因于其计算效率和有利的概括行为，但两者都没有充分理解和解散它们仍然是一个开放的问题。即使在简单的凸二次问题的设置中，最坏情况分析也给SGD的渐近收敛率提供了不比全批梯度下降（GD）更好的，而SGD的所谓隐式正则作用缺乏精确的解释。在这项工作中，我们研究了高维凸四边形上多通sgd的动力学，并建立了与随机微分方程的渐近等效性，我们称之为同质化的随机梯度下降（HSGD），我们的解决方案我们以我们的解决方案的方式明确表征Volterra积分方程。这些结果为学习和风险轨迹提供精确的公式，该公式揭示了隐性条件的机制，该机制解释了SGD相对于GD的效率。我们还证明，来自SGD的噪声会对泛化性能产生负面影响，排除在这种情况下任何类型的隐式正则化的可能性。最后，我们展示了如何适应HSGD形式主义以包括流媒体SGD，这使我们能够针对相对于流SGD（Bootstrap风险）的多通SGD的多余风险产生确切的预测。

强大的机器学习模型的开发中的一个重要障碍是协变量的转变，当训练和测试集的输入分布时发生的分配换档形式在条件标签分布保持不变时发生。尽管现实世界应用的协变量转变普遍存在，但在现代机器学习背景下的理论理解仍然缺乏。在这项工作中，我们检查协变量的随机特征回归的精确高尺度渐近性，并在该设置中提出了限制测试误差，偏差和方差的精确表征。我们的结果激发了一种自然部分秩序，通过协变速转移，提供足够的条件来确定何时何时损害（甚至有助于）测试性能。我们发现，过度分辨率模型表现出增强的协会转变的鲁棒性，为这种有趣现象提供了第一个理论解释之一。此外，我们的分析揭示了分销和分发外概率性能之间的精确线性关系，为这一令人惊讶的近期实证观察提供了解释。

现代深度学习系统的区别特征之一是，它们通常采用利用巨大数量的参数，通常在数百万中使用的神经网络架构。虽然这个范例对大型网络的性质启发了重要研究，但是致力于这些网络通常用于建模大型复杂数据集的事实，而且它们本身可能包含数百万甚至数十亿的约束的事实。在这项工作中，我们专注于这种高维制度，其中数据集大小和特征数量往往是无限的。我们分析随机重量矩阵$ W $和随机偏置向量$ B $的随机特征回归的性能$ f = f（wx + b）$ b $，获取用于渐近培训的确切公式，并对数据产生的数据进行测试错误一个线性教师模型。偏差的作用可以理解为参数化在激活功能上的分布，并且我们的分析直接推广到这种分布，即使是传统的附加偏差不表达的那些分布。有趣的是，我们发现非线性的混合物可以通过最好的单一非线性来改善训练和测试误差，这表明非线性的混合物可能对近似内核方法或神经网络架构设计有用。

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.

The task of reconstructing 3D human motion has wideranging applications. The gold standard Motion capture (MoCap) systems are accurate but inaccessible to the general public due to their cost, hardware and space constraints. In contrast, monocular human mesh recovery (HMR) methods are much more accessible than MoCap as they take single-view videos as inputs. Replacing the multi-view Mo- Cap systems with a monocular HMR method would break the current barriers to collecting accurate 3D motion thus making exciting applications like motion analysis and motiondriven animation accessible to the general public. However, performance of existing HMR methods degrade when the video contains challenging and dynamic motion that is not in existing MoCap datasets used for training. This reduces its appeal as dynamic motion is frequently the target in 3D motion recovery in the aforementioned applications. Our study aims to bridge the gap between monocular HMR and multi-view MoCap systems by leveraging information shared across multiple video instances of the same action. We introduce the Neural Motion (NeMo) field. It is optimized to represent the underlying 3D motions across a set of videos of the same action. Empirically, we show that NeMo can recover 3D motion in sports using videos from the Penn Action dataset, where NeMo outperforms existing HMR methods in terms of 2D keypoint detection. To further validate NeMo using 3D metrics, we collected a small MoCap dataset mimicking actions in Penn Action,and show that NeMo achieves better 3D reconstruction compared to various baselines.

We propose AnyTOD, an end-to-end task-oriented dialog (TOD) system with zero-shot capability for unseen tasks. We view TOD as a program executed by a language model (LM), where program logic and ontology is provided by a designer in the form of a schema. To enable generalization onto unseen schemas and programs without prior training, AnyTOD adopts a neuro-symbolic approach. A neural LM keeps track of events that occur during a conversation, and a symbolic program implementing the dialog policy is executed to recommend next actions AnyTOD should take. This approach drastically reduces data annotation and model training requirements, addressing a long-standing challenge in TOD research: rapidly adapting a TOD system to unseen tasks and domains. We demonstrate state-of-the-art results on the STAR and ABCD benchmarks, as well as AnyTOD's strong zero-shot transfer capability in low-resource settings. In addition, we release STARv2, an updated version of the STAR dataset with richer data annotations, for benchmarking zero-shot end-to-end TOD models.

A long-standing goal of machine-learning-based protein engineering is to accelerate the discovery of novel mutations that improve the function of a known protein. We introduce a sampling framework for evolving proteins in silico that supports mixing and matching a variety of unsupervised models, such as protein language models, and supervised models that predict protein function from sequence. By composing these models, we aim to improve our ability to evaluate unseen mutations and constrain search to regions of sequence space likely to contain functional proteins. Our framework achieves this without any model fine-tuning or re-training by constructing a product of experts distribution directly in discrete protein space. Instead of resorting to brute force search or random sampling, which is typical of classic directed evolution, we introduce a fast MCMC sampler that uses gradients to propose promising mutations. We conduct in silico directed evolution experiments on wide fitness landscapes and across a range of different pre-trained unsupervised models, including a 650M parameter protein language model. Our results demonstrate an ability to efficiently discover variants with high evolutionary likelihood as well as estimated activity multiple mutations away from a wild type protein, suggesting our sampler provides a practical and effective new paradigm for machine-learning-based protein engineering.