This paper describes several improvements to a new method for signal decomposition that we recently formulated under the name of Differentiable Dictionary Search (DDS). The fundamental idea of DDS is to exploit a class of powerful deep invertible density estimators called normalizing flows, to model the dictionary in a linear decomposition method such as NMF, effectively creating a bijection between the space of dictionary elements and the associated probability space, allowing a differentiable search through the dictionary space, guided by the estimated densities. As the initial formulation was a proof of concept with some practical limitations, we will present several steps towards making it scalable, hoping to improve both the computational complexity of the method and its signal decomposition capabilities. As a testbed for experimental evaluation, we choose the task of frame-level piano transcription, where the signal is to be decomposed into sources whose activity is attributed to individual piano notes. To highlight the impact of improved non-linear modelling of sources, we compare variants of our method to a linear overcomplete NMF baseline. Experimental results will show that even in the absence of additional constraints, our models produce increasingly sparse and precise decompositions, according to two pertinent evaluation measures.

We introduce a novel way to incorporate prior information into (semi-) supervised non-negative matrix factorization, which we call differentiable dictionary search. It enables general, highly flexible and principled modelling of mixtures where non-linear sources are linearly mixed. We study its behavior on an audio decomposition task, and conduct an extensive, highly controlled study of its modelling capabilities.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

Normalizing flows provide a general mechanism for defining expressive probability distributions, only requiring the specification of a (usually simple) base distribution and a series of bijective transformations. There has been much recent work on normalizing flows, ranging from improving their expressive power to expanding their application. We believe the field has now matured and is in need of a unified perspective. In this review, we attempt to provide such a perspective by describing flows through the lens of probabilistic modeling and inference. We place special emphasis on the fundamental principles of flow design, and discuss foundational topics such as expressive power and computational trade-offs. We also broaden the conceptual framing of flows by relating them to more general probability transformations. Lastly, we summarize the use of flows for tasks such as generative modeling, approximate inference, and supervised learning.

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。

Normalizing Flows are generative models which produce tractable distributions where both sampling and density evaluation can be efficient and exact. The goal of this survey article is to give a coherent and comprehensive review of the literature around the construction and use of Normalizing Flows for distribution learning. We aim to provide context and explanation of the models, review current state-of-the-art literature, and identify open questions and promising future directions.

盲源分离（BSS）算法是无监督的方法，通过允许物理有意义的数据分解，它们是高光谱数据分析的基石。 BSS问题不足，解决方案需要有效的正则化方案，以更好地区分来源并产生可解释的解决方案。为此，我们研究了一种半监督的源分离方法，在这种方法中，我们将预测的交替最小二乘算法与基于学习的正则化方案结合在一起。在本文中，我们专注于通过使用生成模型来限制混合矩阵属于学习的歧管。总而言之，我们表明，这允许具有创新的BSS算法，具有提高的精度，可提供物理上可解释的解决方案。在涉及强噪声，高度相关的光谱和不平衡来源的挑战性场景中，对现实的高光谱天体物理数据进行了测试。结果突出了在减少来源之间的泄漏之前，学到的重大好处，这可以使总体上更好的分解。

这项正在进行的工作旨在为统计学习提供统一的介绍，从诸如GMM和HMM等经典模型到现代神经网络（如VAE和扩散模型）缓慢地构建。如今，有许多互联网资源可以孤立地解释这一点或新的机器学习算法，但是它们并没有（也不能在如此简短的空间中）将这些算法彼此连接起来，或者与统计模型的经典文献相连现代算法出现了。同样明显缺乏的是一个单一的符号系统，尽管对那些已经熟悉材料的人（如这些帖子的作者）不满意，但对新手的入境造成了重大障碍。同样，我的目的是将各种模型（尽可能）吸收到一个用于推理和学习的框架上，表明（以及为什么）如何以最小的变化将一个模型更改为另一个模型（其中一些是新颖的，另一些是文献中的）。某些背景当然是必要的。我以为读者熟悉基本的多变量计算，概率和统计以及线性代数。这本书的目标当然不是​​完整性，而是从基本知识到过去十年中极强大的新模型的直线路径或多或少。然后，目标是补充而不是替换，诸如Bishop的\ emph {模式识别和机器学习}之类的综合文本，该文本现在已经15岁了。

Deep neural networks provide unprecedented performance gains in many real world problems in signal and image processing. Despite these gains, future development and practical deployment of deep networks is hindered by their blackbox nature, i.e., lack of interpretability, and by the need for very large training sets. An emerging technique called algorithm unrolling or unfolding offers promise in eliminating these issues by providing a concrete and systematic connection between iterative algorithms that are used widely in signal processing and deep neural networks. Unrolling methods were first proposed to develop fast neural network approximations for sparse coding. More recently, this direction has attracted enormous attention and is rapidly growing both in theoretic investigations and practical applications. The growing popularity of unrolled deep networks is due in part to their potential in developing efficient, high-performance and yet interpretable network architectures from reasonable size training sets. In this article, we review algorithm unrolling for signal and image processing. We extensively cover popular techniques for algorithm unrolling in various domains of signal and image processing including imaging, vision and recognition, and speech processing. By reviewing previous works, we reveal the connections between iterative algorithms and neural networks and present recent theoretical results. Finally, we provide a discussion on current limitations of unrolling and suggest possible future research directions.

A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.

最近的生成机器学习模型的进展重新推出了密码猜测领域的研究兴趣。基于GAN的数据驱动密码猜测方法和深度潜变量模型的方法显示了令人印象深刻的泛化性能，并为密码猜测提供了引人注目的属性。在本文中，我们提出了Passflow，一种基于流的生成模型方法来猜测。基于流的模型允许精确的对数似然计算和优化，这实现了精确潜在的变量推断。此外，基于流的模型提供了有意义的潜在空间表示，这使得能够探索潜在空间和插值的特定子空间。我们展示了生成流量的适用性到密码猜测的背景下，脱离了主要限于图像生成的连续空间的流网络的先前应用。我们显示Passflow能够在使用培训集中的密码猜测任务中以前的最先进的GaN的方法，这是一个训练集，该训练集是小于前一体的训练集。此外，生成的样本的定性分析表明，通信流可以准确地模拟原始密码的分布，甚至是不匹配的样本非常类似于人类的密码。

在2015年和2019年之间，地平线的成员2020年资助的创新培训网络名为“Amva4newphysics”，研究了高能量物理问题的先进多变量分析方法和统计学习工具的定制和应用，并开发了完全新的。其中许多方法已成功地用于提高Cern大型Hadron撞机的地图集和CMS实验所执行的数据分析的敏感性;其他几个人，仍然在测试阶段，承诺进一步提高基本物理参数测量的精确度以及新现象的搜索范围。在本文中，在研究和开发的那些中，最相关的新工具以及对其性能的评估。

即使机器学习算法已经在数据科学中发挥了重要作用，但许多当前方法对输入数据提出了不现实的假设。由于不兼容的数据格式，或数据集中的异质，分层或完全缺少的数据片段，因此很难应用此类方法。作为解决方案，我们提出了一个用于样本表示，模型定义和培训的多功能，统一的框架，称为“ Hmill”。我们深入审查框架构建和扩展的机器学习的多个范围范式。从理论上讲，为HMILL的关键组件的设计合理，我们将通用近似定理的扩展显示到框架中实现的模型所实现的所有功能的集合。本文还包含有关我们实施中技术和绩效改进的详细讨论，该讨论将在MIT许可下发布供下载。该框架的主要资产是其灵活性，它可以通过相同的工具对不同的现实世界数据源进行建模。除了单独观察到每个对象的一组属性的标准设置外，我们解释了如何在框架中实现表示整个对象系统的图表中的消息推断。为了支持我们的主张，我们使用框架解决了网络安全域的三个不同问题。第一种用例涉及来自原始网络观察结果的IoT设备识别。在第二个问题中，我们研究了如何使用以有向图表示的操作系统的快照可以对恶意二进制文件进行分类。最后提供的示例是通过网络中实体之间建模域黑名单扩展的任务。在所有三个问题中，基于建议的框架的解决方案可实现与专业方法相当的性能。

与CNN的分类，分割或对象检测相比，生成网络的目标和方法根本不同。最初，它们不是作为图像分析工具，而是生成自然看起来的图像。已经提出了对抗性训练范式来稳定生成方法，并已被证明是非常成功的 - 尽管绝不是第一次尝试。本章对生成对抗网络（GAN）的动机进行了基本介绍，并通​​过抽象基本任务和工作机制并得出了早期实用方法的困难来追溯其成功的道路。将显示进行更稳定的训练方法，也将显示出不良收敛及其原因的典型迹象。尽管本章侧重于用于图像生成和图像分析的gan，但对抗性训练范式本身并非特定于图像，并且在图像分析中也概括了任务。在将GAN与最近进入场景的进一步生成建模方法进行对比之前，将闻名图像语义分割和异常检测的架构示例。这将允许对限制的上下文化观点，但也可以对gans有好处。

Multilayer Neural Networks trained with the backpropagation algorithm constitute the best example of a successful Gradient-Based Learning technique. Given an appropriate network architecture, Gradient-Based Learning algorithms can be used to synthesize a complex decision surface that can classify high-dimensional patterns such as handwritten characters, with minimal preprocessing. This paper reviews various methods applied to handwritten character recognition and compares them on a standard handwritten digit recognition task. Convolutional Neural Networks, that are specifically designed to deal with the variability of 2D shapes, are shown to outperform all other techniques.Real-life document recognition systems are composed of multiple modules including eld extraction, segmentation, recognition, and language modeling. A new learning paradigm, called Graph Transformer Networks (GTN), allows such multi-module systems to be trained globally using Gradient-Based methods so as to minimize an overall performance measure.Two systems for on-line handwriting recognition are described. Experiments demonstrate the advantage of global training, and the exibility of Graph Transformer Networks.A Graph Transformer Network for reading bank check is also described. It uses Convolutional Neural Network character recognizers combined with global training techniques to provides record accuracy on business and personal checks. It is deployed commercially and reads several million checks per day.

标准化流是生成模型，其通过从简单的基本分布到复杂的目标分布的可逆性转换提供易于变换的工艺模型。然而，该技术不能直接模拟支持未知的低维歧管的数据，在诸如图像数据之类的现实世界域中的公共发生。最近的补救措施的尝试引入了击败归一化流量的中央好处的几何并发症：精确密度估计。我们通过保形嵌入流量来恢复这种福利，这是一种设计流动与贸易密度的流动的流动的框架。我们争辩说，使用培训保育嵌入的标准流量是模型支持数据的最自然的方式。为此，我们提出了一系列保形构建块，并在具有合成和实际数据的实验中应用它们，以证明流动可以在不牺牲贸易可能性的情况下模拟歧管支持的分布。

基于标准化流的算法是由于有希望的机器学习方法，以便以可以使渐近精确的方式采样复杂的概率分布。在格子场理论的背景下，原则上的研究已经证明了这种方法对标量理论，衡量理论和统计系统的有效性。这项工作开发了能够使用动力学蜕皮的基于流动的理论采样的方法，这对于应用于粒子物理标准模型和许多冷凝物系的晶格场理论研究是必要的。作为一种实践演示，这些方法应用于通过Yukawa相互作用耦合到标量场的无大量交错的费米子的二维理论的现场配置的采样。

我们从一组稀疏的光谱时间序列中构建了一个物理参数化的概率自动编码器（PAE），以学习IA型超新星（SNE IA）的内在多样性。 PAE是一个两阶段的生成模型，由自动编码器（AE）组成，该模型在使用归一化流（NF）训练后概率地解释。我们证明，PAE学习了一个低维的潜在空间，该空间可捕获人口内存在的非线性特征范围，并且可以直接从数据直接从数据中准确地对整个波长和观察时间进行精确模拟SNE IA的光谱演化。通过引入相关性惩罚项和多阶段训练设置以及我们的物理参数化网络，我们表明可以在训练期间分离内在和外在的可变性模式，从而消除了需要进行额外标准化的其他模型。然后，我们在SNE IA的许多下游任务中使用PAE进行越来越精确的宇宙学分析，包括自动检测SN Outliers，与数据分布一致的样本的产生以及在存在噪音和不完整数据的情况下解决逆问题限制宇宙距离测量。我们发现，与以前的研究相一致的最佳固有模型参数数量似乎是三个，并表明我们可以用$ 0.091 \ pm 0.010 $ mag标准化SNE IA的测试样本，该样本对应于$ 0.074 \ pm。 0.010 $ mag如果删除了特殊的速度贡献。训练有素的模型和代码在\ href {https://github.com/georgestein/supaernova} {github.com/georgestein/supaernova}上发布

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.

最先进的音频源分离模型依赖于监督数据驱动方法，这在标记资源方面可能是昂贵的。另一方面，在没有任何直接监管的情况下训练这些模型的方法通常在记忆和时间要求方面都是高要求的，并且在推理时间使用不切实际。我们的目标是通过提出一种简单但有效的无监督分离算法来解决这些限制，该算法直接在时域信号的潜在表示上运行。我们的算法依赖于预先训练的自回归网络形式的深贝叶斯前沿来模拟每个来源的概率分布。我们利用离散潜空间的低基数，培训具有新的损失术语，对其进行精确的算术结构，在不依赖于近似策略的情况下执行精确的贝叶斯推理。我们在Slakh Dataset Arxiv验证了我们的方法：1909.08494，展示了符合现有技术的导致监督方法，同时需要对其他无人监督的方法进行更少的资源。