Data compression is becoming critical for storing scientific data because many scientific applications need to store large amounts of data and post process this data for scientific discovery. Unlike image and video compression algorithms that limit errors to primary data, scientists require compression techniques that accurately preserve derived quantities of interest (QoIs). This paper presents a physics-informed compression technique implemented as an end-to-end, scalable, GPU-based pipeline for data compression that addresses this requirement. Our hybrid compression technique combines machine learning techniques and standard compression methods. Specifically, we combine an autoencoder, an error-bounded lossy compressor to provide guarantees on raw data error, and a constraint satisfaction post-processing step to preserve the QoIs within a minimal error (generally less than floating point error). The effectiveness of the data compression pipeline is demonstrated by compressing nuclear fusion simulation data generated by a large-scale fusion code, XGC, which produces hundreds of terabytes of data in a single day. Our approach works within the ADIOS framework and results in compression by a factor of more than 150 while requiring only a few percent of the computational resources necessary for generating the data, making the overall approach highly effective for practical scenarios.

This paper is a technical overview of DeepMind and Google's recent work on reinforcement learning for controlling commercial cooling systems. Building on expertise that began with cooling Google's data centers more efficiently, we recently conducted live experiments on two real-world facilities in partnership with Trane Technologies, a building management system provider. These live experiments had a variety of challenges in areas such as evaluation, learning from offline data, and constraint satisfaction. Our paper describes these challenges in the hope that awareness of them will benefit future applied RL work. We also describe the way we adapted our RL system to deal with these challenges, resulting in energy savings of approximately 9% and 13% respectively at the two live experiment sites.

基于Shapley值的功能归因在解释机器学习模型中很受欢迎。但是，从理论和计算的角度来看，它们的估计是复杂的。我们将这种复杂性分解为两个因素：（1）〜删除特征信息的方法，以及（2）〜可拖动估计策略。这两个因素提供了一种天然镜头，我们可以更好地理解和比较24种不同的算法。基于各种特征删除方法，我们描述了多种类型的Shapley值特征属性和计算每个类型的方法。然后，基于可进行的估计策略，我们表征了两个不同的方法家族：模型 - 不合时宜的和模型特定的近似值。对于模型 - 不合稳定的近似值，我们基准了广泛的估计方法，并将其与Shapley值的替代性但等效的特征联系起来。对于特定于模型的近似值，我们阐明了对每种方法的线性，树和深模型的障碍至关重要的假设。最后，我们确定了文献中的差距以及有希望的未来研究方向。

精神分裂症是一种慢性神经精神疾病，会引起大脑内部的不同结构改变。我们假设将深度学习应用于结构性神经影像学数据集可以检测到与疾病相关的改变，并提高分类和诊断准确性。我们使用单一可用的，常规的T1加权MRI扫描测试了这一假设，我们使用标准后处理方法从中提取了3D全脑结构。然后在三个开放数据集上开发，优化和评估了一个深度学习模型，并对精神分裂症患者进行T1加权MRI扫描。我们提出的模型优于基准模型，该模型还使用3D CNN体系结构对结构MR图像进行了训练。我们的模型几乎能够完美地（ROC曲线下的区域= 0.987），将精神分裂症患者与看不见的结构MRI扫描中的健康对照区分开。区域分析将皮质下区域和心室局部作为最预测的大脑区域。皮层结构在人类的认知，情感和社会功能中起关键作用，这些区域的结构异常与精神分裂症有关。我们的发现证实了精神分裂症与皮质下大脑结构的广泛改变有关，皮层结构信息在诊断分类中提供了突出的特征。总之，这些结果进一步证明了深度学习的潜力，以改善精神分裂症的诊断，并从单个标准的T1加权脑MRI中确定其结构性神经影像学特征。

应用标准机器学习方法可以在不同的人口组中产生不等的结果。当在现实世界中使用时，这些不公平可能会产生负面影响。这激发了近年来通过机器学习模型公平分类的各种方法的发展。在本文中，我们考虑修改黑箱机器学习分类器的预测的问题，以便在多种多组设置中实现公平性。为实现这一目标，我们在Hardt等人中扩展了“后处理”方法。 2016年，侧重于二进制分类的公平，以实现公平的多种式分类。我们探讨我们的方法通过系统合成实验产生公平和准确的预测，并在几个公开的现实世界应用数据集中评估歧视 - 公平权衡。我们发现整体而言，当数据集中的个体的数量相对于类和受保护组的数量很高时，我们的方法可以精确地产生轻微的滴度并强制执行公平性。

转移学习（TL）利用以前获得的知识有效地学习新任务，并且已被用于培训具有有限数量的数据的深度学习（DL）模型。当TL应用于DL时，佩带的预押（教师）模型是微调的，以构建特定域（学生）模型。这种微调依赖于DL模型可以分解到分类器和特征提取器，并且一系列研究表明，相同的特征提取器可用于培训多个任务上的分类器。此外，最近的研究提出了多种算法，可以进行微调教师模型的特征提取器，以更有效地培训学生模型。我们注意到，无论特征提取器的微调如何，学生模型的分类器都接受了特征提取器的最终输出（即倒数第二层的输出）。然而，最近的一项研究表明，跨层中的Resnet中的特征映射可能是在功能上等同的，提高要素提取器内的特征映射的可能性也可用于训练学生模型的分类器。灵感来自这项研究，我们测试了教师模型隐藏层中的特征映射，可用于提高学生模型的准确性（即，TL的效率）。具体而言，我们开发了“自适应传输学习（ATL）”，可以选择用于TL的最佳特征映射，并在几次拍摄的学习设置中测试。我们的实证评估表明，ATL可以帮助DL模型更有效地学习，特别是当可用示例有限时。

研究人员提出了多种模型解释方法，但目前尚不清楚大多数方法如何相关或何时一种方法比另一种方法更可取。我们研究了文献，发现许多方法都是基于通过删除来解释的共同原理 - 本质上是测量从模型中删除一组特征的影响。这些方法在几个方面有所不同，因此我们为基于删除的解释开发了一个沿三个维度表征每个方法的框架：1）该方法如何删除特征，2）该方法解释的模型行为以及3）方法如何汇总每个方法功能的影响。我们的框架统一了26种现有方法，其中包括几种最广泛使用的方法（Shap，Lime，有意义的扰动，排列测试）。揭露这些方法之间的基本相似性使用户能够推荐使用哪种工具，并为正在进行的模型解释性研究提出了有希望的方向。

Understanding why a model makes a certain prediction can be as crucial as the prediction's accuracy in many applications. However, the highest accuracy for large modern datasets is often achieved by complex models that even experts struggle to interpret, such as ensemble or deep learning models, creating a tension between accuracy and interpretability. In response, various methods have recently been proposed to help users interpret the predictions of complex models, but it is often unclear how these methods are related and when one method is preferable over another. To address this problem, we present a unified framework for interpreting predictions, SHAP (SHapley Additive exPlanations). SHAP assigns each feature an importance value for a particular prediction. Its novel components include: (1) the identification of a new class of additive feature importance measures, and (2) theoretical results showing there is a unique solution in this class with a set of desirable properties. The new class unifies six existing methods, notable because several recent methods in the class lack the proposed desirable properties. Based on insights from this unification, we present new methods that show improved computational performance and/or better consistency with human intuition than previous approaches.

Automatic synthesis of realistic images from text would be interesting and useful, but current AI systems are still far from this goal. However, in recent years generic and powerful recurrent neural network architectures have been developed to learn discriminative text feature representations. Meanwhile, deep convolutional generative adversarial networks (GANs) have begun to generate highly compelling images of specific categories, such as faces, album covers, and room interiors. In this work, we develop a novel deep architecture and GAN formulation to effectively bridge these advances in text and image modeling, translating visual concepts from characters to pixels. We demonstrate the capability of our model to generate plausible images of birds and flowers from detailed text descriptions.

Algorithms that involve both forecasting and optimization are at the core of solutions to many difficult real-world problems, such as in supply chains (inventory optimization), traffic, and in the transition towards carbon-free energy generation in battery/load/production scheduling in sustainable energy systems. Typically, in these scenarios we want to solve an optimization problem that depends on unknown future values, which therefore need to be forecast. As both forecasting and optimization are difficult problems in their own right, relatively few research has been done in this area. This paper presents the findings of the ``IEEE-CIS Technical Challenge on Predict+Optimize for Renewable Energy Scheduling," held in 2021. We present a comparison and evaluation of the seven highest-ranked solutions in the competition, to provide researchers with a benchmark problem and to establish the state of the art for this benchmark, with the aim to foster and facilitate research in this area. The competition used data from the Monash Microgrid, as well as weather data and energy market data. It then focused on two main challenges: forecasting renewable energy production and demand, and obtaining an optimal schedule for the activities (lectures) and on-site batteries that lead to the lowest cost of energy. The most accurate forecasts were obtained by gradient-boosted tree and random forest models, and optimization was mostly performed using mixed integer linear and quadratic programming. The winning method predicted different scenarios and optimized over all scenarios jointly using a sample average approximation method.