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We present a method to simulate movement in interaction with computers, using Model Predictive Control (MPC). The method starts from understanding interaction from an Optimal Feedback Control (OFC) perspective. We assume that users aim to minimize an internalized cost function, subject to the constraints imposed by the human body and the interactive system. In contrast to previous linear approaches used in HCI, MPC can compute optimal controls for nonlinear systems. This allows us to use state-of-the-art biomechanical models and handle nonlinearities that occur in almost any interactive system. Instead of torque actuation, our model employs second-order muscles acting directly at the joints. We compare three different cost functions and evaluate the simulated trajectories against user movements in a Fitts' Law type pointing study with four different interaction techniques. Our results show that the combination of distance, control, and joint acceleration cost matches individual users' movements best, and predicts movements with an accuracy that is within the between-user variance. To aid HCI researchers and designers, we introduce CFAT, a novel method to identify maximum voluntary torques in joint-actuated models based on experimental data, and give practical advice on how to simulate human movement for different users, interaction techniques, and tasks.

Community detection refers to the problem of clustering the nodes of a network into groups. Existing inferential methods for community structure mainly focus on unweighted (binary) networks. Many real-world networks are nonetheless weighted and a common practice is to dichotomize a weighted network to an unweighted one which is known to result in information loss. Literature on hypothesis testing in the latter situation is still missing. In this paper, we study the problem of testing the existence of community structure in weighted networks. Our contributions are threefold: (a). We use the (possibly infinite-dimensional) exponential family to model the weights and derive the sharp information-theoretic limit for the existence of consistent test. Within the limit, any test is inconsistent; and beyond the limit, we propose a useful consistent test. (b). Based on the information-theoretic limits, we provide the first formal way to quantify the loss of information incurred by dichotomizing weighted graphs into unweighted graphs in the context of hypothesis testing. (c). We propose several new and practically useful test statistics. Simulation study show that the proposed tests have good performance. Finally, we apply the proposed tests to an animal social network.

Molecular dynamics (MD) has long been the \emph{de facto} choice for modeling complex atomistic systems from first principles, and recently deep learning become a popular way to accelerate it. Notwithstanding, preceding approaches depend on intermediate variables such as the potential energy or force fields to update atomic positions, which requires additional computations to perform back-propagation. To waive this requirement, we propose a novel model called ScoreMD by directly estimating the gradient of the log density of molecular conformations. Moreover, we analyze that diffusion processes highly accord with the principle of enhanced sampling in MD simulations, and is therefore a perfect match to our sequential conformation generation task. That is, ScoreMD perturbs the molecular structure with a conditional noise depending on atomic accelerations and employs conformations at previous timeframes as the prior distribution for sampling. Another challenge of modeling such a conformation generation process is that the molecule is kinetic instead of static, which no prior studies strictly consider. To solve this challenge, we introduce a equivariant geometric Transformer as a score function in the diffusion process to calculate the corresponding gradient. It incorporates the directions and velocities of atomic motions via 3D spherical Fourier-Bessel representations. With multiple architectural improvements, we outperforms state-of-the-art baselines on MD17 and isomers of C7O2H10. This research provides new insights into the acceleration of new material and drug discovery.

Despite significant advances in the field of deep learning in applications to various fields, explaining the inner processes of deep learning models remains an important and open question. The purpose of this article is to describe and substantiate the geometric and topological view of the learning process of neural networks. Our attention is focused on the internal representation of neural networks and on the dynamics of changes in the topology and geometry of the data manifold on different layers. We also propose a method for assessing the generalizing ability of neural networks based on topological descriptors. In this paper, we use the concepts of topological data analysis and intrinsic dimension, and we present a wide range of experiments on different datasets and different configurations of convolutional neural network architectures. In addition, we consider the issue of the geometry of adversarial attacks in the classification task and spoofing attacks on face recognition systems. Our work is a contribution to the development of an important area of explainable and interpretable AI through the example of computer vision.

The concept of federated learning (FL) was first proposed by Google in 2016. Thereafter, FL has been widely studied for the feasibility of application in various fields due to its potential to make full use of data without compromising the privacy. However, limited by the capacity of wireless data transmission, the employment of federated learning on mobile devices has been making slow progress in practical. The development and commercialization of the 5th generation (5G) mobile networks has shed some light on this. In this paper, we analyze the challenges of existing federated learning schemes for mobile devices and propose a novel cross-device federated learning framework, which utilizes the anonymous communication technology and ring signature to protect the privacy of participants while reducing the computation overhead of mobile devices participating in FL. In addition, our scheme implements a contribution-based incentive mechanism to encourage mobile users to participate in FL. We also give a case study of autonomous driving. Finally, we present the performance evaluation of the proposed scheme and discuss some open issues in federated learning.

We introduce a novel methodology for particle filtering in dynamical systems where the evolution of the signal of interest is described by a SDE and observations are collected instantaneously at prescribed time instants. The new approach includes the discretisation of the SDE and the design of efficient particle filters for the resulting discrete-time state-space model. The discretisation scheme converges with weak order 1 and it is devised to create a sequential dependence structure along the coordinates of the discrete-time state vector. We introduce a class of space-sequential particle filters that exploits this structure to improve performance when the system dimension is large. This is numerically illustrated by a set of computer simulations for a stochastic Lorenz 96 system with additive noise. The new space-sequential particle filters attain approximately constant estimation errors as the dimension of the Lorenz 96 system is increased, with a computational cost that increases polynomially, rather than exponentially, with the system dimension. Besides the new numerical scheme and particle filters, we provide in this paper a general framework for discrete-time filtering in continuous-time dynamical systems described by a SDE and instantaneous observations. Provided that the SDE is discretised using a weakly-convergent scheme, we prove that the marginal posterior laws of the resulting discrete-time state-space model converge to the posterior marginal posterior laws of the original continuous-time state-space model under a suitably defined metric. This result is general and not restricted to the numerical scheme or particle filters specifically studied in this manuscript.

5G applications have become increasingly popular in recent years as the spread of fifth-generation (5G) network deployment has grown. For vehicular networks, mmWave band signals have been well studied and used for communication and sensing. In this work, we propose a new dynamic ray tracing algorithm that exploits spatial and temporal coherence. We evaluate the performance by comparing the results on typical vehicular communication scenarios with GEMV^2, which uses a combination of deterministic and stochastic models, and WinProp, which utilizes the deterministic model for simulations with given environment information. We also compare the performance of our algorithm on complex, urban models and observe a reduction in computation time by 36% compared to GEMV^2 and by 30% compared to WinProp, while maintaining similar prediction accuracy.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Edge intelligence refers to a set of connected systems and devices for data collection, caching, processing, and analysis in locations close to where data is captured based on artificial intelligence. The aim of edge intelligence is to enhance the quality and speed of data processing and protect the privacy and security of the data. Although recently emerged, spanning the period from 2011 to now, this field of research has shown explosive growth over the past five years. In this paper, we present a thorough and comprehensive survey on the literature surrounding edge intelligence. We first identify four fundamental components of edge intelligence, namely edge caching, edge training, edge inference, and edge offloading, based on theoretical and practical results pertaining to proposed and deployed systems. We then aim for a systematic classification of the state of the solutions by examining research results and observations for each of the four components and present a taxonomy that includes practical problems, adopted techniques, and application goals. For each category, we elaborate, compare and analyse the literature from the perspectives of adopted techniques, objectives, performance, advantages and drawbacks, etc. This survey article provides a comprehensive introduction to edge intelligence and its application areas. In addition, we summarise the development of the emerging research field and the current state-of-the-art and discuss the important open issues and possible theoretical and technical solutions.

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.