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The perfectly matched layer (PML) formulation is a prominent way of handling radiation problems in unbounded domain and has gained interest due to its simple implementation in finite element codes. However, its simplicity can be advanced further using the isogeometric framework. This work presents a spline based PML formulation which avoids additional coordinate transformation as the formulation is based on the same space in which the numerical solution is sought. The procedure can be automated for any convex artificial boundary. This removes restrictions on the domain construction using PML and can therefore reduce computational cost and improve mesh quality. The usage of spline basis functions with higher continuity also improves the accuracy of the numerical solution.

Data collection and research methodology represents a critical part of the research pipeline. On the one hand, it is important that we collect data in a way that maximises the validity of what we are measuring, which may involve the use of long scales with many items. On the other hand, collecting a large number of items across multiple scales results in participant fatigue, and expensive and time consuming data collection. It is therefore important that we use the available resources optimally. In this work, we consider how a consideration for theory and the associated causal/structural model can help us to streamline data collection procedures by not wasting time collecting data for variables which are not causally critical for subsequent analysis. This not only saves time and enables us to redirect resources to attend to other variables which are more important, but also increases research transparency and the reliability of theory testing. In order to achieve this streamlined data collection, we leverage structural models, and Markov conditional independency structures implicit in these models to identify the substructures which are critical for answering a particular research question. In this work, we review the relevant concepts and present a number of didactic examples with the hope that psychologists can use these techniques to streamline their data collection process without invalidating the subsequent analysis. We provide a number of simulation results to demonstrate the limited analytical impact of this streamlining.

In this paper, we propose a depth-first search (DFS) algorithm for searching maximum matchings in general graphs. Unlike blossom shrinking algorithms, which store all possible alternative alternating paths in the super-vertices shrunk from blossoms, the newly proposed algorithm does not involve blossom shrinking. The basic idea is to deflect the alternating path when facing blossoms. The algorithm maintains detour information in an auxiliary stack to minimize the redundant data structures. A benefit of our technique is to avoid spending time on shrinking and expanding blossoms. This DFS algorithm can determine a maximum matching of a general graph with $m$ edges and $n$ vertices in $O(mn)$ time with space complexity $O(n)$.

Binary Neural Networks (BNNs) have emerged as a promising solution for reducing the memory footprint and compute costs of deep neural networks. BNNs, on the other hand, suffer from information loss because binary activations are limited to only two values, resulting in reduced accuracy. To improve the accuracy, previous studies have attempted to control the distribution of binary activation by manually shifting the threshold of the activation function or making the shift amount trainable. During the process, they usually depended on statistical information computed from a batch. We argue that using statistical data from a batch fails to capture the crucial information for each input instance in BNN computations, and the differences between statistical information computed from each instance need to be considered when determining the binary activation threshold of each instance. Based on the concept, we propose the Binary Neural Network with INSTAnce-aware threshold (INSTA-BNN), which decides the activation threshold value considering the difference between statistical data computed from a batch and each instance. The proposed INSTA-BNN outperforms the baseline by 2.5% and 2.3% on the ImageNet classification task with comparable computing cost, achieving 68.0% and 71.7% top-1 accuracy on ResNet-18 and MobileNetV1 based models, respectively.

On-demand delivery has become increasingly popular around the world. Motivated by a large grocery chain store who offers fast on-demand delivery services, we model and solve a stochastic dynamic driver dispatching and routing problem for last-mile delivery systems where on-time performance is the main target. The system operator needs to dispatch a set of drivers and specify their delivery routes facing random demand that arrives over a fixed number of periods. The resulting stochastic dynamic program is challenging to solve due to the curse of dimensionality. We propose a novel structured approximation framework to approximate the value function via a parametrized dispatching and routing policy. We analyze the structural properties of the approximation framework and establish its performance guarantee under large-demand scenarios. We then develop efficient exact algorithms for the approximation problem based on Benders decomposition and column generation, which deliver verifiably optimal solutions within minutes. The evaluation results on a real-world data set show that our framework outperforms the current policy of the company by 36.53% on average in terms of delivery time. We also perform several policy experiments to understand the value of dynamic dispatching and routing with varying fleet sizes and dispatch frequencies.

Stability certification and identification of the stabilizable operating region of a dynamical system are two important concerns to ensure its operational safety/security and robustness. With the advent of machine-learning tools, these issues are especially important for systems with machine-learned components in the feedback loop. Here, in presence of unknown discrete variation (DV) of its parameters within a bounded range, a system controlled by a static feedback controller in which the closed-loop (CL) equilibria are subject to variation-induced drift is equivalently represented using a class of time-invariant systems, each with the same control policy. To develop a general theory for stability and stabilizability of such a class of neural-network (NN) controlled nonlinear systems, a Lyapunov-based convex stability certificate is proposed and is further used to devise an estimate of a local Lipschitz upper bound for the NN and a corresponding operating domain in the state space containing an initialization set, starting from where the CL local asymptotic stability of each system in the class is guaranteed, while the trajectory of the original system remains confined to the domain if the DV of the parameters satisfies a certain quasi-stationarity condition. To compute such a robustly stabilizing NN controller, a stability-guaranteed training (SGT) algorithm is also proposed. The effectiveness of the proposed framework is demonstrated using illustrative examples.

The dynamic response of the legged robot locomotion is non-Lipschitz and can be stochastic due to environmental uncertainties. To test, validate, and characterize the safety performance of legged robots, existing solutions on observed and inferred risk can be incomplete and sampling inefficient. Some formal verification methods suffer from the model precision and other surrogate assumptions. In this paper, we propose a scenario sampling based testing framework that characterizes the overall safety performance of a legged robot by specifying (i) where (in terms of a set of states) the robot is potentially safe, and (ii) how safe the robot is within the specified set. The framework can also help certify the commercial deployment of the legged robot in real-world environment along with human and compare safety performance among legged robots with different mechanical structures and dynamic properties. The proposed framework is further deployed to evaluate a group of state-of-the-art legged robot locomotion controllers from various model-based, deep neural network involved, and reinforcement learning based methods in the literature. Among a series of intended work domains of the studied legged robots (e.g. tracking speed on sloped surface, with abrupt changes on demanded velocity, and against adversarial push-over disturbances), we show that the method can adequately capture the overall safety characterization and the subtle performance insights. Many of the observed safety outcomes, to the best of our knowledge, have never been reported by the existing work in the legged robot literature.

A High-dimensional and sparse (HiDS) matrix is frequently encountered in a big data-related application like an e-commerce system or a social network services system. To perform highly accurate representation learning on it is of great significance owing to the great desire of extracting latent knowledge and patterns from it. Latent factor analysis (LFA), which represents an HiDS matrix by learning the low-rank embeddings based on its observed entries only, is one of the most effective and efficient approaches to this issue. However, most existing LFA-based models perform such embeddings on a HiDS matrix directly without exploiting its hidden graph structures, thereby resulting in accuracy loss. To address this issue, this paper proposes a graph-incorporated latent factor analysis (GLFA) model. It adopts two-fold ideas: 1) a graph is constructed for identifying the hidden high-order interaction (HOI) among nodes described by an HiDS matrix, and 2) a recurrent LFA structure is carefully designed with the incorporation of HOI, thereby improving the representa-tion learning ability of a resultant model. Experimental results on three real-world datasets demonstrate that GLFA outperforms six state-of-the-art models in predicting the missing data of an HiDS matrix, which evidently supports its strong representation learning ability to HiDS data.

In this paper we study the finite sample and asymptotic properties of various weighting estimators of the local average treatment effect (LATE), several of which are based on Abadie (2003)'s kappa theorem. Our framework presumes a binary endogenous explanatory variable ("treatment") and a binary instrumental variable, which may only be valid after conditioning on additional covariates. We argue that one of the Abadie estimators, which we show is weight normalized, is likely to dominate the others in many contexts. A notable exception is in settings with one-sided noncompliance, where certain unnormalized estimators have the advantage of being based on a denominator that is bounded away from zero. We use a simulation study and three empirical applications to illustrate our findings. In applications to causal effects of college education using the college proximity instrument (Card, 1995) and causal effects of childbearing using the sibling sex composition instrument (Angrist and Evans, 1998), the unnormalized estimates are clearly unreasonable, with "incorrect" signs, magnitudes, or both. Overall, our results suggest that (i) the relative performance of different kappa weighting estimators varies with features of the data-generating process; and that (ii) the normalized version of Tan (2006)'s estimator may be an attractive alternative in many contexts. Applied researchers with access to a binary instrumental variable should also consider covariate balancing or doubly robust estimators of the LATE.

Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.