High entropy alloys (HEAs) have been increasingly attractive as promising next-generation materials due to their various excellent properties. It's necessary to essentially characterize the degree of chemical ordering and identify order-disorder transitions through efficient simulation and modeling of thermodynamics. In this study, a robust data-driven framework based on Bayesian approaches is proposed and demonstrated on the accurate and efficient prediction of configurational energy of high entropy alloys. The proposed effective pair interaction (EPI) model with ensemble sampling is used to map the configuration and its corresponding energy. The US Government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. Compared with the arbitrary determination of model complexity, we further conduct a physical feature selection to identify the truncation of coordination shells in EPI model using Bayesian information criterion. The results achieve efficient and robust performance in predicting the configurational energy, particularly given small data. The developed methodology is applied to study a series of refractory HEAs, i.e. NbMoTaW, NbMoTaWV and NbMoTaWTi where it is demonstrated how dataset size affects the confidence we can place in statistical estimates of configurational energy when data are sparse. Introduction As one of the typical multicomponent alloys, high entropy alloys (HEAs) consisting of four or more principal elements have been widely studied due to their exceptional mechanical properties [1, 2, 3, 4].

There is an increasing interest in estimating heterogeneity in causal effects in randomized and observational studies. However, little research has been conducted to understand heterogeneity in an instrumental variables study. In this work, we present a method to estimate heterogeneous causal effects using an instrumental variable approach. The method has two parts. The first part uses subject-matter knowledge and interpretable machine learning techniques, such as classification and regression trees, to discover potential effect modifiers. The second part uses closed testing to test for the statistical significance of the effect modifiers while strongly controlling familywise error rate. We conducted this method on the Oregon Health Insurance Experiment, estimating the effect of Medicaid on the number of days an individual's health does not impede their usual activities, and found evidence of heterogeneity in older men who prefer English and don't self-identify as Asian and younger individuals who have at most a high school diploma or GED and prefer English.

We propose a deep learning approach for discovering kernels tailored to identifying clusters over sample data. Our neural network produces sample embeddings that are motivated by--and are at least as expressive as--spectral clustering. Our training objective, based on the Hilbert Schmidt Information Criterion, can be optimized via gradient adaptations on the Stiefel manifold, leading to significant acceleration over spectral methods relying on eigendecompositions. Finally, our trained embedding can be directly applied to out-of-sample data. We show experimentally that our approach outperforms several state-of-the-art deep clustering methods, as well as traditional approaches such as $k$-means and spectral clustering over a broad array of real-life and synthetic datasets.

Human mobility has a significant impact on several layers of society, from infrastructural planning and economics to the spread of diseases and crime. Representing the system as a complex network, in which nodes are assigned to regions (e.g., a city) and links indicate the flow of people between two of them, physics-inspired models have been proposed to quantify the number of people migrating from one city to the other. Despite the advances made by these models, our ability to predict the number of commuters and reconstruct mobility networks remains limited. Here, we propose an alternative approach using machine learning and 22 urban indicators to predict the flow of people and reconstruct the intercity commuters network. Our results reveal that predictions based on machine learning algorithms and urban indicators can reconstruct the commuters network with 90.4% of accuracy and describe 77.6% of the variance observed in the flow of people between cities. We also identify essential features to recover the network structure and the urban indicators mostly related to commuting patterns. As previously reported, distance plays a significant role in commuting, but other indicators, such as Gross Domestic Product (GDP) and unemployment rate, are also driven-forces for people to commute. We believe that our results shed new lights on the modeling of migration and reinforce the role of urban indicators on commuting patterns. Also, because link-prediction and network reconstruction are still open challenges in network science, our results have implications in other areas, like economics, social sciences, and biology, where node attributes can give us information about the existence of links connecting entities in the network.

Recent advances in statistical inference have significantly expanded the toolbox of probabilistic modeling. Historically, probabilistic modeling has been constrained to (i) very restricted model classes where exact or approximate probabilistic inference were feasible, and (ii) small or medium-sized data sets which fit within the main memory of the computer. However, developments in variational inference, a general form of approximate probabilistic inference originated in statistical physics, are allowing probabilistic modeling to overcome these restrictions: (i) Approximate probabilistic inference is now possible over a broad class of probabilistic models containing a large number of parameters, and (ii) scalable inference methods based on stochastic gradient descent and distributed computation engines allow to apply probabilistic modeling over massive data sets. One important practical consequence of these advances is the possibility to include deep neural networks within a probabilistic model to capture complex non-linear stochastic relationships between random variables. These advances in conjunction with the release of novel probabilistic modeling toolboxes have greatly expanded the scope of application of probabilistic models, and allow these models to take advantage of the recent strides made by the deep learning community. In this paper we review the main concepts, methods and tools needed to use deep neural networks within a probabilistic modeling framework.

This paper introduces a new multivariate convolutional sparse coding based on tensor algebra with a general model enforcing both element-wise sparsity and low-rankness of the activations tensors. By using the CP decomposition, this model achieves a significantly more efficient encoding of the multivariate signal-particularly in the high order/ dimension setting-resulting in better performance. We prove that our model is closely related to the Kruskal tensor regression problem, offering interesting theoretical guarantees to our setting. Furthermore, we provide an efficient optimization algorithm based on alternating optimization to solve this model. Finally, we evaluate our algorithm with a large range of experiments, highlighting its advantages and limitations.

--Additive Manufacturing (AM) is a manufacturing paradigm that builds three-dimensional objects from a computer-aided design model by successively adding material layer by layer . AM has become very popular in the past decade due to its utility for fast prototyping such as 3D printing as well as manufacturing functional parts with complex geometries using processes such as laser metal deposition that would be difficult to create using traditional machining. As the process for creating an intricate part for an expensive metal such as Titanium is prohibitive with respect to cost, computational models are used to simulate the behavior of AM processes before the experimental run. However, as the simulations are computationally costly and time-consuming for predicting multiscale multi-physics phenomena in AM, physics-informed data-driven machine-learning systems for predicting the behavior of AM processes are immensely beneficial. Such models accelerate not only multiscale simulation tools but also empower real-time control systems using in-situ data. In this paper, we design and develop essential components of a scientific framework for developing a data-driven model-based real-time control system. Finite element methods are employed for solving time-dependent heat equations and developing the database. The proposed framework uses extremely randomized trees - an ensemble of bagged decision trees as the regression algorithm iteratively using temperatures of prior voxels and laser information as inputs to predict temperatures of subsequent voxels. The models achieve mean absolute percentage errors below 1% for predicting temperature profiles for AM processes. Additive Manufacturing (AM) is a modern manufacturing approach in which digital 3D design data is used to build parts by sequentially depositing layers of materials [1]. AM techniques are becoming very popular compared to traditional approaches because of their success in building complicated designs, fast prototyping, and low-volume or one-of-a-kind productions across many industries. Direct Metal Deposition (DMD) [2] is an AM technology where various materials such as steel or Titanium are used to develop the finished product.

The 9th Circuit U.S. Court of Appeals said Thursday that Facebook users in Illinois can sue the company over its use of facial recognition technology. The 9th Circuit U.S. Court of Appeals said Thursday that Facebook users in Illinois can sue the company over its use of facial recognition technology. A U.S. court has ruled that Facebook users in Illinois can sue the company over face recognition technology, meaning a class action can move forward. The 9th Circuit U.S. Court of Appeals issued its ruling on Thursday. According to the American Civil Liberties Union, it's the first decision by a U.S. appellate court to directly address privacy concerns posed by facial recognition technology.

NEW YORK – A federal appeals court on Thursday rejected Facebook Inc.'s effort to undo a class action lawsuit claiming that it illegally collected and stored biometric data on millions of users without their consent. The 3-0 decision from the 9th U.S. Circuit Court of Appeals in San Francisco over Facebook's facial recognition technology exposes the company to billions of dollars in potential damages to the Illinois users who brought the case. It came as the social media company faces broad criticism from lawmakers and regulators over its privacy practices. Last month, Facebook agreed to pay a record $5 billion fine to settle a Federal Trade Commission data privacy probe. "This biometric data is so sensitive that if it is compromised, there is simply no recourse," Shawn Williams, a lawyer for plaintiffs in the class action, said in an interview.

Subscribe to the O'Reilly Data Show Podcast to explore the opportunities and techniques driving big data, data science, and AI. Find us on Stitcher, TuneIn, iTunes, SoundCloud, RSS. In this episode of the Data Show, I spoke with Jesse Anderson, managing director of the Big Data Institute, and my colleague Paco Nathan, who recently became co-chair of Jupytercon. This conversation grew out of a recent email thread the three of us had on machine learning engineers, a new job role that LinkedIn recently pegged as the fastest growing job in the U.S. In our email discussion, there was some disagreement on whether such a specialized job role/title was needed in the first place. As Eric Colson pointed out in his beautiful keynote at Strata Data San Jose, when done too soon, creating specialized roles can slow down your data team.