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Appearance-based gaze estimation aims to predict the 3D eye gaze direction from a single image. While recent deep learning-based approaches have demonstrated excellent performance, they usually assume one calibrated face in each input image and cannot output multi-person gaze in real time. However, simultaneous gaze estimation for multiple people in the wild is necessary for real-world applications. In this paper, we propose the first one-stage end-to-end gaze estimation method, GazeOnce, which is capable of simultaneously predicting gaze directions for multiple faces (>10) in an image. In addition, we design a sophisticated data generation pipeline and propose a new dataset, MPSGaze, which contains full images of multiple people with 3D gaze ground truth. Experimental results demonstrate that our unified framework not only offers a faster speed, but also provides a lower gaze estimation error compared with state-of-the-art methods. This technique can be useful in real-time applications with multiple users.

We present a pipeline for parametric wireframe extraction from densely sampled point clouds. Our approach processes a scalar distance field that represents proximity to the nearest sharp feature curve. In intermediate stages, it detects corners, constructs curve segmentation, and builds a topological graph fitted to the wireframe. As an output, we produce parametric spline curves that can be edited and sampled arbitrarily. We evaluate our method on 50 complex 3D shapes and compare it to the novel deep learning-based technique, demonstrating superior quality.

Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from rapid virtual screening to detailed free energy calculations. Traditionally, MM potentials have relied on human-curated, inflexible, and poorly extensible discrete chemical perception rules or applying parameters to small molecules or biopolymers, making it difficult to optimize both types and parameters to fit quantum chemical or physical property data. Here, we propose an alternative approach that uses graph neural networks to perceive chemical environments, producing continuous atom embeddings from which valence and nonbonded parameters can be predicted using invariance-preserving layers. Since all stages are built from smooth neural functions, the entire process is modular and end-to-end differentiable with respect to model parameters, allowing new force fields to be easily constructed, extended, and applied to arbitrary molecules. We show that this approach is not only sufficiently expressive to reproduce legacy atom types, but that it can learn to accurately reproduce and extend existing molecular mechanics force fields. Trained with arbitrary loss functions, it can construct entirely new force fields self-consistently applicable to both biopolymers and small molecules directly from quantum chemical calculations, with superior fidelity than traditional atom or parameter typing schemes. When trained on the same quantum chemical small molecule dataset used to parameterize the openff-1.2.0 small molecule force field augmented with a peptide dataset, the resulting espaloma model shows superior accuracy vis-\`a-vis experiments in computing relative alchemical free energy calculations for a popular benchmark set.

This paper presents GoPose, a 3D skeleton-based human pose estimation system that uses WiFi devices at home. Our system leverages the WiFi signals reflected off the human body for 3D pose estimation. In contrast to prior systems that need specialized hardware or dedicated sensors, our system does not require a user to wear or carry any sensors and can reuse the WiFi devices that already exist in a home environment for mass adoption. To realize such a system, we leverage the 2D AoA spectrum of the signals reflected from the human body and the deep learning techniques. In particular, the 2D AoA spectrum is proposed to locate different parts of the human body as well as to enable environment-independent pose estimation. Deep learning is incorporated to model the complex relationship between the 2D AoA spectrums and the 3D skeletons of the human body for pose tracking. Our evaluation results show GoPose achieves around 4.7cm of accuracy under various scenarios including tracking unseen activities and under NLoS scenarios.

In large scale dynamic wireless networks, the amount of overhead caused by channel estimation (CE) is becoming one of the main performance bottlenecks. This is due to the large number users whose channels should be estimated, the user mobility, and the rapid channel change caused by the usage of the high-frequency spectrum (e.g. millimeter wave). In this work, we propose a new hybrid channel estimation/prediction (CEP) scheme to reduce overhead in time-division duplex (TDD) wireless cell-free massive multiple-input-multiple-output (mMIMO) systems. The scheme proposes sending a pilot signal from each user only once in a given number (window) of coherence intervals (CIs). Then minimum mean-square error (MMSE) estimation is used to estimate the channel of this CI, while a deep neural network (DNN) is used to predict the channels of the remaining CIs in the window. The DNN exploits the temporal correlation between the consecutive CIs and the received pilot signals to improve the channel prediction accuracy. By doing so, CE overhead is reduced by at least 50 percent at the expense of negligible CE error for practical user mobility settings. Consequently, the proposed CEP scheme improves the spectral efficiency compared to the conventional MMSE CE approach, especially when the number of users is large, which is demonstrated numerically.

The fact that the millimeter-wave (mmWave) multiple-input multiple-output (MIMO) channel has sparse support in the spatial domain has motivated recent compressed sensing (CS)-based mmWave channel estimation methods, where the angles of arrivals (AoAs) and angles of departures (AoDs) are quantized using angle dictionary matrices. However, the existing CS-based methods usually obtain the estimation result through one-stage channel sounding that have two limitations: (i) the requirement of large-dimensional dictionary and (ii) unresolvable quantization error. These two drawbacks are irreconcilable; improvement of the one implies deterioration of the other. To address these challenges, we propose, in this paper, a two-stage method to estimate the AoAs and AoDs of mmWave channels. In the proposed method, the channel estimation task is divided into two stages, Stage I and Stage II. Specifically, in Stage I, the AoAs are estimated by solving a multiple measurement vectors (MMV) problem. In Stage II, based on the estimated AoAs, the receive sounders are designed to estimate AoDs. The dimension of the angle dictionary in each stage can be reduced, which in turn reduces the computational complexity substantially. We then analyze the successful recovery probability (SRP) of the proposed method, revealing the superiority of the proposed framework over the existing one-stage CS-based methods. We further enhance the reconstruction performance by performing resource allocation between the two stages. We also overcome the unresolvable quantization error issue present in the prior techniques by applying the atomic norm minimization method to each stage of the proposed two-stage approach. The simulation results illustrate the substantially improved performance with low complexity of the proposed two-stage method.

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.

Deep learning have achieved promising results on a wide spectrum of AI applications. Larger datasets and models consistently yield better performance. However, we generally spend longer training time on more computation and communication. In this survey, we aim to provide a clear sketch about the optimizations for large-scale deep learning with regard to the model accuracy and model efficiency. We investigate algorithms that are most commonly used for optimizing, elaborate the debatable topic of generalization gap arises in large-batch training, and review the SOTA strategies in addressing the communication overhead and reducing the memory footprints.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Deep Learning has implemented a wide range of applications and has become increasingly popular in recent years. The goal of multimodal deep learning is to create models that can process and link information using various modalities. Despite the extensive development made for unimodal learning, it still cannot cover all the aspects of human learning. Multimodal learning helps to understand and analyze better when various senses are engaged in the processing of information. This paper focuses on multiple types of modalities, i.e., image, video, text, audio, body gestures, facial expressions, and physiological signals. Detailed analysis of past and current baseline approaches and an in-depth study of recent advancements in multimodal deep learning applications has been provided. A fine-grained taxonomy of various multimodal deep learning applications is proposed, elaborating on different applications in more depth. Architectures and datasets used in these applications are also discussed, along with their evaluation metrics. Last, main issues are highlighted separately for each domain along with their possible future research directions.