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Over the past few years, different types of data-driven Artificial Intelligence (AI) techniques have been widely adopted in various domains of science for generating predictive models. However, because of their black-box nature, it is crucial to establish trust in these models before accepting them as accurate. One way of achieving this goal is through the implementation of a post-hoc interpretation scheme that can put forward the reasons behind a black-box model's prediction. In this work, we propose a classical thermodynamics inspired approach for this purpose: Thermodynamically Explainable Representations of AI and other black-box Paradigms (TERP). TERP works by constructing a linear, local surrogate model that approximates the behaviour of the black-box model within a small neighborhood around the instance being explained. By employing a simple forward feature selection algorithm, TERP assigns an interpretability score to all the possible surrogate models. Compared to existing methods, TERP improves interpretability by selecting an optimal interpretation from these models by drawing simple parallels with classical thermodynamics. To validate TERP as a generally applicable method, we successfully demonstrate how it can be used to obtain interpretations of a wide range of black-box model architectures including deep learning Autoencoders, Recurrent neural networks and Convolutional neural networks applied to different domains including molecular simulations, image, and text classification respectively.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 離散化 · 模型評估 · 代碼 · Processing(編程語言) ·
2023 年 4 月 25 日

Computational fluid dynamics (CFD) is an important tool for the simulation of the cardiovascular function and dysfunction. Due to the complexity of the anatomy, the transitional regime of blood flow in the heart, and the strong mutual influence between the flow and the physical processes involved in the heart function, the development of accurate and efficient CFD solvers for cardiovascular flows is still a challenging task. In this paper we present lifex-cfd: an open-source CFD solver for cardiovascular simulations based on the lifex finite element library, written in modern C++ and exploiting distributed memory parallelism. We model blood flow in both physiological and pathological conditions via the incompressible Navier-Stokes equations, accounting for moving cardiac valves, moving domains, and transition-to-turbulence regimes. In this paper, we provide an overview of the underlying mathematical formulation, numerical discretization, implementation details and instructions for use of lifex-cfd. The code has been verified through rigorous convergence analyses, and we show its almost ideal parallel speedup. We demonstrate the accuracy and reliability of the numerical methods implemented through a series of idealized and patient-specific vascular and cardiac simulations, in different physiological flow regimes. The lifex-cfd source code is available under the LGPLv3 license, to ensure its accessibility and transparency to the scientific community, and to facilitate collaboration and further developments.

Noiseless compressive sensing is a protocol that enables undersampling and later recovery of a signal without loss of information. This compression is possible because the signal is usually sufficiently sparse in a given basis. Currently, the algorithm offering the best tradeoff between compression rate, robustness, and speed for compressive sensing is the LASSO (l1-norm bias) algorithm. However, many studies have pointed out the possibility that the implementation of lp-norms biases, with p smaller than one, could give better performance while sacrificing convexity. In this work, we focus specifically on the extreme case of the l0-based reconstruction, a task that is complicated by the discontinuity of the loss. In the first part of the paper, we describe via statistical physics methods, and in particular the replica method, how the solutions to this optimization problem are arranged in a clustered structure. We observe two distinct regimes: one at low compression rate where the signal can be recovered exactly, and one at high compression rate where the signal cannot be recovered accurately. In the second part, we present two message-passing algorithms based on our first results for the l0-norm optimization problem. The proposed algorithms are able to recover the signal at compression rates higher than the ones achieved by LASSO while being computationally efficient.

Learning algorithms, like Quality-Diversity (QD), can be used to acquire repertoires of diverse robotics skills. This learning is commonly done via computer simulation due to the large number of evaluations required. However, training in a virtual environment generates a gap between simulation and reality. Here, we build upon the Reset-Free QD (RF-QD) algorithm to learn controllers directly on a physical robot. This method uses a dynamics model, learned from interactions between the robot and the environment, to predict the robot's behaviour and improve sample efficiency. A behaviour selection policy filters out uninteresting or unsafe policies predicted by the model. RF-QD also includes a recovery policy that returns the robot to a safe zone when it has walked outside of it, allowing continuous learning. We demonstrate that our method enables a physical quadruped robot to learn a repertoire of behaviours in two hours without human supervision. We successfully test the solution repertoire using a maze navigation task. Finally, we compare our approach to the MAP-Elites algorithm. We show that dynamics awareness and a recovery policy are required for training on a physical robot for optimal archive generation. Video available at //youtu.be/BgGNvIsRh7Q

Experiments on physical continuum robot are the gold standard for evaluations. Currently, as no commercial continuum robot platform is available, a large variety of early-stage prototypes exists. These prototypes are developed by individual research groups and are often used for a single publication. Thus, a significant amount of time is devoted to creating proprietary hardware and software hindering the development of a common platform, and shifting away scarce time and efforts from the main research challenges. We address this problem by proposing an open-source actuation module, which can be used to build different types of continuum robots. It consists of a high-torque brushless electric motor, a high resolution optical encoder, and a low-gear-ratio transmission. For this letter, we create three different types of continuum robots. In addition, we illustrate, for the first time, that continuum robots built with our actuation module can proprioceptively detect external forces. Consequently, our approach opens untapped and under-investigated research directions related to the dynamics and advanced control of continuum robots, where sensing the generalized flow and effort is mandatory. Besides that, we democratize continuum robots research by providing open-source software and hardware with our initiative called the Open Continuum Robotics Project, to increase the accessibility and reproducibility of advanced methods.

A fundamental goal of scientific research is to learn about causal relationships. However, despite its critical role in the life and social sciences, causality has not had the same importance in Natural Language Processing (NLP), which has traditionally placed more emphasis on predictive tasks. This distinction is beginning to fade, with an emerging area of interdisciplinary research at the convergence of causal inference and language processing. Still, research on causality in NLP remains scattered across domains without unified definitions, benchmark datasets and clear articulations of the remaining challenges. In this survey, we consolidate research across academic areas and situate it in the broader NLP landscape. We introduce the statistical challenge of estimating causal effects, encompassing settings where text is used as an outcome, treatment, or as a means to address confounding. In addition, we explore potential uses of causal inference to improve the performance, robustness, fairness, and interpretability of NLP models. We thus provide a unified overview of causal inference for the computational linguistics community.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.

Reinforcement learning is one of the core components in designing an artificial intelligent system emphasizing real-time response. Reinforcement learning influences the system to take actions within an arbitrary environment either having previous knowledge about the environment model or not. In this paper, we present a comprehensive study on Reinforcement Learning focusing on various dimensions including challenges, the recent development of different state-of-the-art techniques, and future directions. The fundamental objective of this paper is to provide a framework for the presentation of available methods of reinforcement learning that is informative enough and simple to follow for the new researchers and academics in this domain considering the latest concerns. First, we illustrated the core techniques of reinforcement learning in an easily understandable and comparable way. Finally, we analyzed and depicted the recent developments in reinforcement learning approaches. My analysis pointed out that most of the models focused on tuning policy values rather than tuning other things in a particular state of reasoning.

Machine-learning models have demonstrated great success in learning complex patterns that enable them to make predictions about unobserved data. In addition to using models for prediction, the ability to interpret what a model has learned is receiving an increasing amount of attention. However, this increased focus has led to considerable confusion about the notion of interpretability. In particular, it is unclear how the wide array of proposed interpretation methods are related, and what common concepts can be used to evaluate them. We aim to address these concerns by defining interpretability in the context of machine learning and introducing the Predictive, Descriptive, Relevant (PDR) framework for discussing interpretations. The PDR framework provides three overarching desiderata for evaluation: predictive accuracy, descriptive accuracy and relevancy, with relevancy judged relative to a human audience. Moreover, to help manage the deluge of interpretation methods, we introduce a categorization of existing techniques into model-based and post-hoc categories, with sub-groups including sparsity, modularity and simulatability. To demonstrate how practitioners can use the PDR framework to evaluate and understand interpretations, we provide numerous real-world examples. These examples highlight the often under-appreciated role played by human audiences in discussions of interpretability. Finally, based on our framework, we discuss limitations of existing methods and directions for future work. We hope that this work will provide a common vocabulary that will make it easier for both practitioners and researchers to discuss and choose from the full range of interpretation methods.

In structure learning, the output is generally a structure that is used as supervision information to achieve good performance. Considering the interpretation of deep learning models has raised extended attention these years, it will be beneficial if we can learn an interpretable structure from deep learning models. In this paper, we focus on Recurrent Neural Networks (RNNs) whose inner mechanism is still not clearly understood. We find that Finite State Automaton (FSA) that processes sequential data has more interpretable inner mechanism and can be learned from RNNs as the interpretable structure. We propose two methods to learn FSA from RNN based on two different clustering methods. We first give the graphical illustration of FSA for human beings to follow, which shows the interpretability. From the FSA's point of view, we then analyze how the performance of RNNs are affected by the number of gates, as well as the semantic meaning behind the transition of numerical hidden states. Our results suggest that RNNs with simple gated structure such as Minimal Gated Unit (MGU) is more desirable and the transitions in FSA leading to specific classification result are associated with corresponding words which are understandable by human beings.

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