进化算法通常通过交叉和突变探索解决方案的搜索空间。虽然突变由溶液的局部局部修饰组成，但跨界将两种溶液的遗传信息混合在一起，以计算新的溶液。对于模型驱动的优化（MDO），模型直接提供了可能的解决方案（而不是首先将它们转换为另一种表示），仅开发了一个通用的跨界操作员。我们将图形作为模型的正式基础，我们进一步完善了该操作员的方式，以至于保留了其他良好形式的约束：我们证明，给定两个模型满足给定的一组多重性约束作为输入，我们的精制交叉运算符计算两个新模型作为输出，也满足一组约束。

Analogical proportions compare pairs of items (a, b) and (c, d) in terms of their differences and similarities. They play a key role in the formalization of analogical inference. The paper first discusses how to improve analogical inference in terms of accuracy and in terms of computational cost. Then it indicates the potential of analogical proportions for explanation. Finally, it highlights the close relationship between analogical proportions and multi-valued dependencies, which reveals an unsuspected aspect of the former.

A generalized understanding of protein dynamics is an unsolved scientific problem, the solution of which is critical to the interpretation of the structure-function relationships that govern essential biological processes. Here, we approach this problem by constructing coarse-grained molecular potentials based on artificial neural networks and grounded in statistical mechanics. For training, we build a unique dataset of unbiased all-atom molecular dynamics simulations of approximately 9 ms for twelve different proteins with multiple secondary structure arrangements. The coarse-grained models are capable of accelerating the dynamics by more than three orders of magnitude while preserving the thermodynamics of the systems. Coarse-grained simulations identify relevant structural states in the ensemble with comparable energetics to the all-atom systems. Furthermore, we show that a single coarse-grained potential can integrate all twelve proteins and can capture experimental structural features of mutated proteins. These results indicate that machine learning coarse-grained potentials could provide a feasible approach to simulate and understand protein dynamics.

A wide variety of model explanation approaches have been proposed in recent years, all guided by very different rationales and heuristics. In this paper, we take a new route and cast interpretability as a statistical inference problem. We propose a general deep probabilistic model designed to produce interpretable predictions. The model parameters can be learned via maximum likelihood, and the method can be adapted to any predictor network architecture and any type of prediction problem. Our method is a case of amortized interpretability models, where a neural network is used as a selector to allow for fast interpretation at inference time. Several popular interpretability methods are shown to be particular cases of regularised maximum likelihood for our general model. We propose new datasets with ground truth selection which allow for the evaluation of the features importance map. Using these datasets, we show experimentally that using multiple imputation provides more reasonable interpretations.

Brain tumor imaging has been part of the clinical routine for many years to perform non-invasive detection and grading of tumors. Tumor segmentation is a crucial step for managing primary brain tumors because it allows a volumetric analysis to have a longitudinal follow-up of tumor growth or shrinkage to monitor disease progression and therapy response. In addition, it facilitates further quantitative analysis such as radiomics. Deep learning models, in particular CNNs, have been a methodology of choice in many applications of medical image analysis including brain tumor segmentation. In this study, we investigated the main design aspects of CNN models for the specific task of MRI-based brain tumor segmentation. Two commonly used CNN architectures (i.e. DeepMedic and U-Net) were used to evaluate the impact of the essential parameters such as learning rate, batch size, loss function, and optimizer. The performance of CNN models using different configurations was assessed with the BraTS 2018 dataset to determine the most performant model. Then, the generalization ability of the model was assessed using our in-house dataset. For all experiments, U-Net achieved a higher DSC compared to the DeepMedic. However, the difference was only statistically significant for whole tumor segmentation using FLAIR sequence data and tumor core segmentation using T1w sequence data. Adam and SGD both with the initial learning rate set to 0.001 provided the highest segmentation DSC when training the CNN model using U-Net and DeepMedic architectures, respectively. No significant difference was observed when using different normalization approaches. In terms of loss functions, a weighted combination of soft Dice and cross-entropy loss with the weighting term set to 0.5 resulted in an improved segmentation performance and training stability for both DeepMedic and U-Net models.

通常通过后处理，涉及降低和后续可视化来解释高维数据的聚类结果。这破坏了数据的含义并混淆了解释。我们提出了算法 - 敏捷的解释方法，以在缩小尺寸中解释聚类结果，同时保留数据的完整性。集群的置换特征重要性代表基于改组特征值并通过自定义分数功能衡量群集分配的变化的一般框架。集群的个体条件期望表明由于数据的变化而导致群集分配的观察变化。聚类的部分依赖性评估整个特征空间的群集分配的平均变化。所有方法都可以与能够通过软标签重新分配实例的任何聚类算法一起使用。与常见的后处理方法（例如主组件分析）相反，引入的方法保持了特征的原始结构。

破产预测的模型在几种现实世界情景中很有用，并且基于结构化（数值）以及非结构化（文本）数据，已经为任务提供了多个研究贡献。但是，缺乏常见的基准数据集和评估策略阻碍了模型之间的客观比较。本文基于新颖和已建立的数据集为非结构化数据方案介绍了这样的基准，以刺激对任务的进一步研究。我们描述和评估几种经典和神经基线模型，并讨论不同策略的好处和缺陷。特别是，我们发现基于静态内域字表示的轻巧的单词袋模型可获得令人惊讶的良好结果，尤其是在考虑几年中的文本数据时。这些结果进行了严格的评估，并根据数据的特定方面和任务进行了讨论。复制数据的所有代码，将发布实验结果。

一种拟议的语言变化机制涉及在语言联系的情况下由第二语言（L2）学习者发挥的作用。如果在语音社区中存在足够多的L2扬声器，则与第一语言（L1）扬声器的数量相关，那么呈现L2采集困难的那些功能可能易于从语言中消失。本文提出了基于加强学习和非线性动力学的这种接触情况的数学模型。完全表征，描述了L1和L2扬声器的混合群的完整随机模型的确定性降低的均衡。语言是否改变了响应L2学习者的引入，结果取决于三个因素：L2学习者的总体比例在人口中，有问题的语言变异的相对优势，以及难度扬声器的力量在获取语言作为L2。这些因素是由描述从两个扬声器群体的损耗来保留L2困难特征的相转变的数学公式。这提供了可以针对经验数据测试的预测。在这里，借助于两种情况研究，南非荷兰语的形态调平以及非洲秘鲁西班牙语中的零类对象的侵蚀来评估该模型;该模型被发现与两种情况的历史发展一致。

在过去几年中的自然语言处理（NLP）研究的进展为自动用户交互或改进的数据分析提供了公司的新商业机会。建立复杂的NLP应用需要处理现代机器学习（ML）技术，从而阻碍企业建立成功的NLP项目。我们在应用NLP研究项目中的经验表明，具有质量保证的生产环境中的研究原型在生产环境中的不断整合在软件中建立了信任，并为业务目标提供了便利性和有用性。我们将印章4 NLP介绍为开发NLP应用程序的迭代和增量过程模型。通过邮票4 NLP，我们将软件工程原则与数据科学的最佳实践合并。实例化我们的流程模型允许通过利用模板，公约和实现，使开发人员和数据科学家专注于业务目标来有效地创建原型。由于我们的迭代 - 增量方法，企业可以在每次迭代后将增强版的原型版本部署到他们的软件环境中，最大限度地提高潜在的业务价值和信任，并避免成功的成本永不部署的实验。

我们介绍一种用于推断和预测潜伏状态的方法，以便只能模拟观察，并且转换动态未知。在此设置中，观察的可能性不可用，并且只能从黑盒模拟器生成合成观察。我们提出了一种在有限数量的模拟中完成状态的似然推理（LFI）和状态预测的方法。我们的方法使用多输出高斯工艺进行状态推理，以及贝叶斯神经网络作为状态预测的转换动态的模型。我们改进了现有的推断任务的LFI方法，同时还准确学习过渡动态。所提出的方法对于使用计算昂贵的模拟来建模动态系统中的逆问题是必要的，如使用非静止用户模型的实验中所示。