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The Observation--Hypothesis--Prediction--Experimentation loop paradigm for scientific research has been practiced by researchers for years towards scientific discoveries. However, with data explosion in both mega-scale and milli-scale scientific research, it has been sometimes very difficult to manually analyze the data and propose new hypothesis to drive the cycle for scientific discovery. In this paper, we discuss the role of Explainable AI in scientific discovery process by demonstrating an Explainable AI-based paradigm for science discovery. The key is to use Explainable AI to help derive data or model interpretations as well as scientific discoveries or insights. We show how computational and data-intensive methodology -- together with experimental and theoretical methodology -- can be seamlessly integrated for scientific research. To demonstrate the AI-based science discovery process, and to pay our respect to some of the greatest minds in human history, we show how Kepler's laws of planetary motion and the Newton's law of universal gravitation can be rediscovered by (Explainable) AI based on Tycho Brahe's astronomical observation data, whose works were leading the scientific revolution in the 16-17th century. This work also highlights the important role of Explainable AI (as compared to Blackbox AI) in science discovery to help humans prevent or better prepare for the possible technological singularity that may happen in the future.

In large epidemiologic studies, self-reported outcomes are often used to record disease status more frequently than by gold standard diagnostic tests alone. While self-reported disease outcomes are easier to obtain than diagnostic test results, they are often prone to error. There has recently been interest in using error-prone, auxiliary outcomes to improve the efficiency of inference for discrete time-to-event analyses. We have developed a new augmented likelihood approach that incorporates auxiliary data into the analysis of gold standard time-to-event outcome, which can be considered when self-reported outcomes are available in addition to a gold standard endpoint. We conduct a numerical study to show how we can improve statistical efficiency by using the proposed method instead of standard approaches for interval-censored survival data that do not leverage auxiliary data. We also extended this method for the complex survey design setting so that it can be applied in our motivating data example. We apply this method to data from the Hispanic Community Health Study/Study of Latinos in order to assess the association between energy and protein intake and the risk of incident diabetes. In our application, we demonstrate how our method can be used in combination with regression calibration to additionally address the covariate measurement error in the self-reported diet.

University evaluation and ranking is an extremely complex activity. Major universities are struggling because of increasingly complex indicator systems of world university rankings. So can we find the meta-indicators of the index system by simplifying the complexity? This research discovered three meta-indicators based on interpretable machine learning. The first one is time, to be friends with time, and believe in the power of time, and accumulate historical deposits; the second one is space, to be friends with city, and grow together by co-develop; the third one is relationships, to be friends with alumni, and strive for more alumni donations without ceiling.

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains is dramatically increasing in both size and complexity. Taken together, this suggests many exciting opportunities for deep learning applications in scientific settings. But a significant challenge to this is simply knowing where to start. The sheer breadth and diversity of different deep learning techniques makes it difficult to determine what scientific problems might be most amenable to these methods, or which specific combination of methods might offer the most promising first approach. In this survey, we focus on addressing this central issue, providing an overview of many widely used deep learning models, spanning visual, sequential and graph structured data, associated tasks and different training methods, along with techniques to use deep learning with less data and better interpret these complex models --- two central considerations for many scientific use cases. We also include overviews of the full design process, implementation tips, and links to a plethora of tutorials, research summaries and open-sourced deep learning pipelines and pretrained models, developed by the community. We hope that this survey will help accelerate the use of deep learning across different scientific domains.

Causal inference is a critical research topic across many domains, such as statistics, computer science, education, public policy and economics, for decades. Nowadays, estimating causal effect from observational data has become an appealing research direction owing to the large amount of available data and low budget requirement, compared with randomized controlled trials. Embraced with the rapidly developed machine learning area, various causal effect estimation methods for observational data have sprung up. In this survey, we provide a comprehensive review of causal inference methods under the potential outcome framework, one of the well known causal inference framework. The methods are divided into two categories depending on whether they require all three assumptions of the potential outcome framework or not. For each category, both the traditional statistical methods and the recent machine learning enhanced methods are discussed and compared. The plausible applications of these methods are also presented, including the applications in advertising, recommendation, medicine and so on. Moreover, the commonly used benchmark datasets as well as the open-source codes are also summarized, which facilitate researchers and practitioners to explore, evaluate and apply the causal inference methods.

There has been considerable growth and interest in industrial applications of machine learning (ML) in recent years. ML engineers, as a consequence, are in high demand across the industry, yet improving the efficiency of ML engineers remains a fundamental challenge. Automated machine learning (AutoML) has emerged as a way to save time and effort on repetitive tasks in ML pipelines, such as data pre-processing, feature engineering, model selection, hyperparameter optimization, and prediction result analysis. In this paper, we investigate the current state of AutoML tools aiming to automate these tasks. We conduct various evaluations of the tools on many datasets, in different data segments, to examine their performance, and compare their advantages and disadvantages on different test cases.

Automated machine learning (AutoML) aims to find optimal machine learning solutions automatically given a machine learning problem. It could release the burden of data scientists from the multifarious manual tuning process and enable the access of domain experts to the off-the-shelf machine learning solutions without extensive experience. In this paper, we review the current developments of AutoML in terms of three categories, automated feature engineering (AutoFE), automated model and hyperparameter learning (AutoMHL), and automated deep learning (AutoDL). State-of-the-art techniques adopted in the three categories are presented, including Bayesian optimization, reinforcement learning, evolutionary algorithm, and gradient-based approaches. We summarize popular AutoML frameworks and conclude with current open challenges of AutoML.

Machine learning techniques have deeply rooted in our everyday life. However, since it is knowledge- and labor-intensive to pursue good learning performance, human experts are heavily involved in every aspect of machine learning. In order to make machine learning techniques easier to apply and reduce the demand for experienced human experts, automated machine learning (AutoML) has emerged as a hot topic with both industrial and academic interest. In this paper, we provide an up to date survey on AutoML. First, we introduce and define the AutoML problem, with inspiration from both realms of automation and machine learning. Then, we propose a general AutoML framework that not only covers most existing approaches to date but also can guide the design for new methods. Subsequently, we categorize and review the existing works from two aspects, i.e., the problem setup and the employed techniques. Finally, we provide a detailed analysis of AutoML approaches and explain the reasons underneath their successful applications. We hope this survey can serve as not only an insightful guideline for AutoML beginners but also an inspiration for future research.

Machine Learning models become increasingly proficient in complex tasks. However, even for experts in the field, it can be difficult to understand what the model learned. This hampers trust and acceptance, and it obstructs the possibility to correct the model. There is therefore a need for transparency of machine learning models. The development of transparent classification models has received much attention, but there are few developments for achieving transparent Reinforcement Learning (RL) models. In this study we propose a method that enables a RL agent to explain its behavior in terms of the expected consequences of state transitions and outcomes. First, we define a translation of states and actions to a description that is easier to understand for human users. Second, we developed a procedure that enables the agent to obtain the consequences of a single action, as well as its entire policy. The method calculates contrasts between the consequences of a policy derived from a user query, and of the learned policy of the agent. Third, a format for generating explanations was constructed. A pilot survey study was conducted to explore preferences of users for different explanation properties. Results indicate that human users tend to favor explanations about policy rather than about single actions.

The recent years have seen a revival of interest in textual entailment, sparked by i) the emergence of powerful deep neural network learners for natural language processing and ii) the timely development of large-scale evaluation datasets such as SNLI. Recast as natural language inference, the problem now amounts to detecting the relation between pairs of statements: they either contradict or entail one another, or they are mutually neutral. Current research in natural language inference is effectively exclusive to English. In this paper, we propose to advance the research in SNLI-style natural language inference toward multilingual evaluation. To that end, we provide test data for four major languages: Arabic, French, Spanish, and Russian. We experiment with a set of baselines. Our systems are based on cross-lingual word embeddings and machine translation. While our best system scores an average accuracy of just over 75%, we focus largely on enabling further research in multilingual inference.