This article proposes Convolutional Neural Network-based Auto Encoder (CNN-AE) to predict location-dependent rate and coverage probability of a network from its topology. We train the CNN utilising BS location data of India, Brazil, Germany, and the USA and compare its performance with stochastic geometry (SG) based analytical models. In comparison to the best-fitted SG-based model, CNN-AE improves the coverage and rate prediction errors by a margin of as large as $40\%$ and $25\%$ respectively. As an application, we propose a low complexity, provably convergent algorithm that, using trained CNN-AE, can compute locations of new BSs that need to be deployed in a network in order to satisfy pre-defined spatially heterogeneous performance goals.
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.
A rising number of botnet families have been successfully detected using deep learning architectures. While the variety of attacks increases, these architectures should become more robust against attacks. They have been proven to be very sensitive to small but well constructed perturbations in the input. Botnet detection requires extremely low false-positive rates (FPR), which are not commonly attainable in contemporary deep learning. Attackers try to increase the FPRs by making poisoned samples. The majority of recent research has focused on the use of model loss functions to build adversarial examples and robust models. In this paper, two LSTM-based classification algorithms for botnet classification with an accuracy higher than 98\% are presented. Then, the adversarial attack is proposed, which reduces the accuracy to about30\%. Then, by examining the methods for computing the uncertainty, the defense method is proposed to increase the accuracy to about 70\%. By using the deep ensemble and stochastic weight averaging quantification methods it has been investigated the uncertainty of the accuracy in the proposed methods.
Covariance estimation for matrix-valued data has received an increasing interest in applications. Unlike previous works that rely heavily on matrix normal distribution assumption and the requirement of fixed matrix size, we propose a class of distribution-free regularized covariance estimation methods for high-dimensional matrix data under a separability condition and a bandable covariance structure. Under these conditions, the original covariance matrix is decomposed into a Kronecker product of two bandable small covariance matrices representing the variability over row and column directions. We formulate a unified framework for estimating bandable covariance, and introduce an efficient algorithm based on rank one unconstrained Kronecker product approximation. The convergence rates of the proposed estimators are established, and the derived minimax lower bound shows our proposed estimator is rate-optimal under certain divergence regimes of matrix size. We further introduce a class of robust covariance estimators and provide theoretical guarantees to deal with heavy-tailed data. We demonstrate the superior finite-sample performance of our methods using simulations and real applications from a gridded temperature anomalies dataset and a S&P 500 stock data analysis.
Feature propagation in Deep Neural Networks (DNNs) can be associated to nonlinear discrete dynamical systems. The novelty, in this paper, lies in letting the discretization parameter (time step-size) vary from layer to layer, which needs to be learned, in an optimization framework. The proposed framework can be applied to any of the existing networks such as ResNet, DenseNet or Fractional-DNN. This framework is shown to help overcome the vanishing and exploding gradient issues. Stability of some of the existing continuous DNNs such as Fractional-DNN is also studied. The proposed approach is applied to an ill-posed 3D-Maxwell's equation.
Many recent state-of-the-art (SOTA) optical flow models use finite-step recurrent update operations to emulate traditional algorithms by encouraging iterative refinements toward a stable flow estimation. However, these RNNs impose large computation and memory overheads, and are not directly trained to model such stable estimation. They can converge poorly and thereby suffer from performance degradation. To combat these drawbacks, we propose deep equilibrium (DEQ) flow estimators, an approach that directly solves for the flow as the infinite-level fixed point of an implicit layer (using any black-box solver), and differentiates through this fixed point analytically (thus requiring $O(1)$ training memory). This implicit-depth approach is not predicated on any specific model, and thus can be applied to a wide range of SOTA flow estimation model designs. The use of these DEQ flow estimators allows us to compute the flow faster using, e.g., fixed-point reuse and inexact gradients, consumes $4\sim6\times$ times less training memory than the recurrent counterpart, and achieves better results with the same computation budget. In addition, we propose a novel, sparse fixed-point correction scheme to stabilize our DEQ flow estimators, which addresses a longstanding challenge for DEQ models in general. We test our approach in various realistic settings and show that it improves SOTA methods on Sintel and KITTI datasets with substantially better computational and memory efficiency.
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.
We demonstrate that merely analog transmissions and match filtering can realize the function of an edge server in federated learning (FL). Therefore, a network with massively distributed user equipments (UEs) can achieve large-scale FL without an edge server. We also develop a training algorithm that allows UEs to continuously perform local computing without being interrupted by the global parameter uploading, which exploits the full potential of UEs' processing power. We derive convergence rates for the proposed schemes to quantify their training efficiency. The analyses reveal that when the interference obeys a Gaussian distribution, the proposed algorithm retrieves the convergence rate of a server-based FL. But if the interference distribution is heavy-tailed, then the heavier the tail, the slower the algorithm converges. Nonetheless, the system run time can be largely reduced by enabling computation in parallel with communication, whereas the gain is particularly pronounced when communication latency is high. These findings are corroborated via excessive simulations.
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.
Human pose estimation aims to locate the human body parts and build human body representation (e.g., body skeleton) from input data such as images and videos. It has drawn increasing attention during the past decade and has been utilized in a wide range of applications including human-computer interaction, motion analysis, augmented reality, and virtual reality. Although the recently developed deep learning-based solutions have achieved high performance in human pose estimation, there still remain challenges due to insufficient training data, depth ambiguities, and occlusions. The goal of this survey paper is to provide a comprehensive review of recent deep learning-based solutions for both 2D and 3D pose estimation via a systematic analysis and comparison of these solutions based on their input data and inference procedures. More than 240 research papers since 2014 are covered in this survey. Furthermore, 2D and 3D human pose estimation datasets and evaluation metrics are included. Quantitative performance comparisons of the reviewed methods on popular datasets are summarized and discussed. Finally, the challenges involved, applications, and future research directions are concluded. We also provide a regularly updated project page on: \url{//github.com/zczcwh/DL-HPE}
In this paper, we propose a deep reinforcement learning framework called GCOMB to learn algorithms that can solve combinatorial problems over large graphs. GCOMB mimics the greedy algorithm in the original problem and incrementally constructs a solution. The proposed framework utilizes Graph Convolutional Network (GCN) to generate node embeddings that predicts the potential nodes in the solution set from the entire node set. These embeddings enable an efficient training process to learn the greedy policy via Q-learning. Through extensive evaluation on several real and synthetic datasets containing up to a million nodes, we establish that GCOMB is up to 41% better than the state of the art, up to seven times faster than the greedy algorithm, robust and scalable to large dynamic networks.