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Published work

98 published item(s)

preprint2026arXiv

Diffusion-OAMP for Joint Image Compression and Wireless Transmission

Joint image compression and wireless transmission remain relatively underexplored compared to generic image restoration, despite its importance in practical communication systems. We formulate this problem under an equivalent linear model, and propose Diffusion-OAMP, a training-free reconstruction framework that embeds a pre-trained diffusion model into the OAMP algorithm. In Diffusion-OAMP, the OAMP linear estimator produces pseudo-AWGN observations, while the diffusion model serves as a nonlinear estimator under an SNR-matching rule. This framework offers a way to incorporate multiple generative priors into OAMP. Experiments with varying compression ratios and noise levels show that Diffusion-OAMP performs favorably against classic methods in the evaluated settings.

preprint2025arXiv

Random Modulation: Achieving Asymptotic Replica Optimality over Arbitrary Norm-Bounded and Spectrally Convergent Channel Matrices

This paper introduces a random modulation technique that is decoupled from the channel matrix, allowing it to be applied to arbitrary norm-bounded and spectrally convergent channel matrices. The proposed random modulation constructs an equivalent dense and random channel matrix, ensuring that the signals undergo sufficient statistical channel fading. It also guarantees the asymptotic replica maximum a posteriori (MAP) bit-error rate (BER) optimality of approximate message passing (AMP)-type detectors for linear systems with arbitrary norm-bounded and spectrally convergent channel matrices when their state evolution has a unique fixed point. Then, a low-complexity cross-domain memory approximate message passing (CD-MAMP) detector is proposed for random modulation, leveraging the sparsity of the time-domain channel and the randomness of the random transform-domain channel. Furthermore, the optimal power allocation schemes are derived to minimize the replica MAP BER and maximize the replica constrained capacity of random-modulated linear systems, assuming the availability of channel state information (CSI) at the transceiver. Numerical results show that the proposed random modulation can achieve BER and block-error rate (BLER) performance gains of up to 2 - 3 dB compared to existing OFDM/OTFS/AFDM with 5G-NR LDPC codes, under both average and optimized power allocation.

preprint2024arXiv

Channel Mapping Based on Interleaved Learning with Complex-Domain MLP-Mixer

In multiple-input multiple-output (MIMO) orthogonal frequency division multiplexing (OFDM) systems, representing the whole channel only based on partial subchannels will significantly reduce the channel acquisition overhead. For such a channel mapping task, inspired by the intrinsic coupling across the space and frequency domains, this letter proposes to use interleaved learning with partial antenna and subcarrier characteristics to represent the whole MIMO-OFDM channel. Specifically, we design a complex-domain multilayer perceptron (MLP)-Mixer (CMixer), which utilizes two kinds of complex-domain MLP modules to learn the space and frequency characteristics respectively and then interleaves them to couple the learned properties. The complex-domain computation facilitates the learning on the complex-valued channel data, while the interleaving tightens the coupling of space and frequency domains. These two designs jointly reduce the learning burden, making the physics-inspired CMixer more effective on channel representation learning than existing data-driven approaches. Simulation shows that the proposed scheme brings 4.6~10dB gains in mapping accuracy compared to existing schemes under different settings. Besides, ablation studies show the necessity of complex-domain computation as well as the extent to which the interleaved learning matches the channel properties.

preprint2024arXiv

From Beginner to Expert: Modeling Medical Knowledge into General LLMs

Recently, large language model (LLM) based artificial intelligence (AI) systems have demonstrated remarkable capabilities in natural language understanding and generation. However, these models face a significant challenge when it comes to sensitive applications, such as reasoning over medical knowledge and answering medical questions in a physician-like manner. Prior studies attempted to overcome this challenge by increasing the model size (>100B) to learn more general medical knowledge, while there is still room for improvement in LLMs with smaller-scale model sizes (<100B). In this work, we start from a pre-trained general LLM model (AntGLM-10B) and fine-tune it from a medical beginner towards a medical expert (called AntGLM-Med-10B), which leverages a 3-stage optimization procedure, i.e., general medical knowledge injection, medical domain instruction tuning, and specific medical task adaptation. Our contributions are threefold: (1) We specifically investigate how to adapt a pre-trained general LLM in medical domain, especially for a specific medical task. (2) We collect and construct large-scale medical datasets for each stage of the optimization process. These datasets encompass various data types and tasks, such as question-answering, medical reasoning, multi-choice questions, and medical conversations. (3) Specifically for multi-choice questions in the medical domain, we propose a novel Verification-of-Choice approach for prompting engineering, which significantly enhances the reasoning ability of LLMs. Remarkably, by combining the above approaches, our AntGLM-Med-10B model can outperform the most of LLMs on PubMedQA, including both general and medical LLMs, even when these LLMs have larger model size.

preprint2024arXiv

Overflow-Avoiding Memory AMP

Approximate Message Passing (AMP) type algorithms are widely used for signal recovery in high-dimensional noisy linear systems. Recently, a principle called Memory AMP (MAMP) was proposed. Leveraging this principle, the gradient descent MAMP (GD-MAMP) algorithm was designed, inheriting the strengths of AMP and OAMP/VAMP. In this paper, we first provide an overflow-avoiding GD-MAMP (OA-GD-MAMP) to address the overflow problem that arises from some intermediate variables exceeding the range of floating point numbers. Second, we develop a complexity-reduced GD-MAMP (CR-GD-MAMP) to reduce the number of matrix-vector products per iteration by 1/3 (from 3 to 2) with little to no impact on the convergence speed.

preprint2024arXiv

RJUA-QA: A Comprehensive QA Dataset for Urology

We introduce RJUA-QA, a novel medical dataset for question answering (QA) and reasoning with clinical evidence, contributing to bridge the gap between general large language models (LLMs) and medical-specific LLM applications. RJUA-QA is derived from realistic clinical scenarios and aims to facilitate LLMs in generating reliable diagnostic and advice. The dataset contains 2,132 curated Question-Context-Answer pairs, corresponding about 25,000 diagnostic records and clinical cases. The dataset covers 67 common urological disease categories, where the disease coverage exceeds 97.6\% of the population seeking medical services in urology. Each data instance in RJUA-QA comprises: (1) a question mirroring real patient to inquiry about clinical symptoms and medical conditions, (2) a context including comprehensive expert knowledge, serving as a reference for medical examination and diagnosis, (3) a doctor response offering the diagnostic conclusion and suggested examination guidance, (4) a diagnosed clinical disease as the recommended diagnostic outcome, and (5) clinical advice providing recommendations for medical examination. RJUA-QA is the first medical QA dataset for clinical reasoning over the patient inquiries, where expert-level knowledge and experience are required for yielding diagnostic conclusions and medical examination advice. A comprehensive evaluation is conducted to evaluate the performance of both medical-specific and general LLMs on the RJUA-QA dataset. Our data is are publicly available at \url{https://github.com/alipay/RJU_Ant_QA}.

preprint2023arXiv

On Orthogonal Approximate Message Passing

Approximate Message Passing (AMP) is an efficient iterative parameter-estimation technique for certain high-dimensional linear systems with non-Gaussian distributions, such as sparse systems. In AMP, a so-called Onsager term is added to keep estimation errors approximately Gaussian. Orthogonal AMP (OAMP) does not require this Onsager term, relying instead on an orthogonalization procedure to keep the current errors uncorrelated with (i.e., orthogonal to) past errors. \LL{In this paper, we show the generality and significance of the orthogonality in ensuring that errors are "asymptotically independently and identically distributed Gaussian" (AIIDG).} This AIIDG property, which is essential for the attractive performance of OAMP, holds for separable functions. \LL{We present a simple and versatile procedure to establish the orthogonality through Gram-Schmidt (GS) orthogonalization, which is applicable to any prototype. We show that different AMP-type algorithms, such as expectation propagation (EP), turbo, AMP and OAMP, can be unified under the orthogonal principle.} The simplicity and generality of OAMP provide efficient solutions for estimation problems beyond the classical linear models. \LL{As an example, we study the optimization of OAMP via the GS model and GS orthogonalization.} More related applications will be discussed in a companion paper where new algorithms are developed for problems with multiple constraints and multiple measurement variables.

preprint2022arXiv

A discrete-module-finite-element hydroelasticity method in analyzing dynamic response of floating flexible structures

A discrete-module-finite element (DMFE) based hydroelasticity method has been proposed and well developed. Firstly, a freely floating flexible structure is discretized into several macro-submodules in two horizontal directions to perform a multi-rigid-body hydrodynamic analysis. Each macro-submodule is then abstracted to a lumped mass at the center of gravity that bears the external forces including inertia force, hydrodynamic force and hydrostatic force. Apart from external forces, all lumped masses are also subjected to structural forces that reflect the structural deformation features of the original flexible structure. The key to calculating the structural forces is derivation of the equivalent overall structural stiffness matrix with respect to the displacements of all lumped masses, which is tackled following the finite element procedure. More specifically, each macro-submodule is discretized into a number of microelements to derive the corresponding structural stiffness matrix, which is manipulated to a new one including only the nodes at the position of the lumped masses and surrounding boundaries by using the substructure approach, and subsequently the target overall stiffness matrix is obtained by combining together all macro-submodules. Finally, based on equivalence between external and structural forces, the DMFE method establishes the hydroelastic equation on all lumped masses with their displacements as unknown variables. Solving the equation gives the displacement response of all lumped masses. Displacement and structural force responses are first calculated on the interfaces of every two adjacent macro-submodules, after which at any given position of the flexible structure, the recovery of displacement is based on the structural stiffness matrix of the corresponding macro-submodule and the recovery of structural force uses the spline interpolation scheme.

preprint2022arXiv

An LSTM-Aided Hybrid Random Access Scheme for 6G Machine Type Communication Networks

In this paper, an LSTM-aided hybrid random access scheme (LSTMH-RA) is proposed to support diverse quality of service (QoS) requirements in 6G machine-type communication (MTC) networks, where massive MTC (mMTC) devices and ultra-reliable low latency communications (URLLC) devices coexist. In the proposed LSTMH-RA scheme, mMTC devices access the network via a timing advance (TA)-aided four-step procedure to meet massive access requirement, while the access procedure of the URLLC devices is completed in two steps coupled with the mMTC devices' access procedure to reduce latency. Furthermore, we propose an attention-based LSTM prediction model to predict the number of active URLLC devices, thereby determining the parameters of the multi-user detection algorithm to guarantee the latency and reliability access requirements of URLLC devices. We analyze the successful access probability of the LSTMH-RA scheme. Numerical results show that, compared with the benchmark schemes, the proposed LSTMH-RA scheme can significantly improve the successful access probability, and thus satisfy the diverse QoS requirements of URLLC and mMTC devices.

preprint2022arXiv

Capacity Optimal Coded Generalized MU-MIMO

With the complication of future communication scenarios, most conventional signal processing technologies of multi-user multiple-input multiple-output (MU-MIMO) become unreliable, which are designed based on ideal assumptions, such as Gaussian signaling and independent identically distributed (IID) channel matrices. As a result, this paper considers a generalized MU-MIMO (GMU-MIMO) system with more general assumptions, i.e., arbitrarily fixed input distributions, and general unitarily-invariant channel matrices. However, there is still no accurate capacity analysis and capacity optimal transceiver with practical complexity for GMU-MIMO under the constraint of coding. To address these issues, inspired by the replica method, the constrained sum capacity of coded GMU-MIMO with fixed input distribution is calculated by using the celebrated mutual information and minimum mean-square error (MMSE) lemma and the MMSE optimality of orthogonal/vector approximate message passing (OAMP/VAMP). Then, a capacity optimal multiuser OAMP/VAMP receiver is proposed, whose achievable rate is proved to be equal to the constrained sum capacity. Moreover, a design principle of multi-user codes is presented for the multiuser OAMP/VAMP, based on which a kind of practical multi-user low-density parity-check (MU-LDPC) code is designed. Numerical results show that finite-length performances of the proposed MU-LDPC codes with multi-user OAMP/VAMP are about 2 dB away from the constrained sum capacity and outperform those of the existing state-of-art methods.

preprint2022arXiv

Capacity Optimality of OAMP in Coded Large Unitarily Invariant Systems

This paper investigates a large unitarily invariant system (LUIS) involving a unitarily invariant sensing matrix, an arbitrary fixed signal distribution, and forward error control (FEC) coding. Several area properties are established based on the state evolution of orthogonal approximate message passing (OAMP) in an un-coded LUIS. Under the assumptions that the state evolution for joint OAMP and FEC decoding is correct and the replica method is reliable, we analyze the achievable rate of OAMP. We prove that OAMP reaches the constrained capacity predicted by the replica method of the LUIS with an arbitrary signal distribution based on matched FEC coding. Meanwhile, we elaborate a constrained capacity-achieving coding principle for LUIS, based on which irregular low-density parity-check (LDPC) codes are optimized for binary signaling in the simulation results. We show that OAMP with the optimized codes has significant performance improvement over the un-optimized ones and the well-known Turbo linear MMSE algorithm. For quadrature phase-shift keying (QPSK) modulation, constrained capacity-approaching bit error rate (BER) performances are observed under various channel conditions.

preprint2022arXiv

Dynamic Virtual Network Embedding Algorithm based on Graph Convolution Neural Network and Reinforcement Learning

Network virtualization (NV) is a technology with broad application prospects. Virtual network embedding (VNE) is the core orientation of VN, which aims to provide more flexible underlying physical resource allocation for user function requests. The classical VNE problem is usually solved by heuristic method, but this method often limits the flexibility of the algorithm and ignores the time limit. In addition, the partition autonomy of physical domain and the dynamic characteristics of virtual network request (VNR) also increase the difficulty of VNE. This paper proposed a new type of VNE algorithm, which applied reinforcement learning (RL) and graph neural network (GNN) theory to the algorithm, especially the combination of graph convolutional neural network (GCNN) and RL algorithm. Based on a self-defined fitness matrix and fitness value, we set up the objective function of the algorithm implementation, realized an efficient dynamic VNE algorithm, and effectively reduced the degree of resource fragmentation. Finally, we used comparison algorithms to evaluate the proposed method. Simulation experiments verified that the dynamic VNE algorithm based on RL and GCNN has good basic VNE characteristics. By changing the resource attributes of physical network and virtual network, it can be proved that the algorithm has good flexibility.

preprint2022arXiv

Incorporating Distributed DRL into Storage Resource Optimization of Space-Air-Ground Integrated Wireless Communication Network

Space-air-ground integrated network (SAGIN) is a new type of wireless network mode. The effective management of SAGIN resources is a prerequisite for high-reliability communication. However, the storage capacity of space-air network segment is extremely limited. The air servers also do not have sufficient storage resources to centrally accommodate the information uploaded by each edge server. So the problem of how to coordinate the storage resources of SAGIN has arisen. This paper proposes a SAGIN storage resource management algorithm based on distributed deep reinforcement learning (DRL). The resource management process is modeled as a Markov decision model. In each edge physical domain, we extract the network attributes represented by storage resources for the agent to build a training environment, so as to realize the distributed training. In addition, we propose a SAGIN resource management framework based on distributed DRL. Simulation results show that the agent has an ideal training effect. Compared with other algorithms, the resource allocation revenue and user request acceptance rate of the proposed algorithm are increased by about 18.15\% and 8.35\% respectively. Besides, the proposed algorithm has good flexibility in dealing with the changes of resource conditions.

preprint2022arXiv

Intelligent Resource Scheduling for Co-located Latency-critical Services: A Multi-Model Collaborative Learning Approach

Latency-critical services have been widely deployed in cloud environments. For cost-efficiency, multiple services are usually co-located on a server. Thus, run-time resource scheduling becomes the pivot for QoS control in these complicated co-location cases. However, the scheduling exploration space enlarges rapidly with the increasing server resources, making the schedulers hardly provide ideal solutions quickly. More importantly, we observe that there are "resource cliffs" in the scheduling exploration space. They affect the exploration efficiency and always lead to severe QoS fluctuations. Resource cliffs cannot be easily avoided in previous schedulers. To address these problems, we propose a novel ML-based intelligent scheduler - OSML. It learns the correlation between architectural hints (e.g., IPC, cache misses, memory footprint, etc.), scheduling solutions and the QoS demands based on a data set we collected from 11 widely deployed services running on off-the-shelf servers. OSML employs multiple ML models to work collaboratively to predict QoS variations, shepherd the scheduling, and recover from QoS violations in complicated co-location cases. OSML can intelligently avoid resource cliffs during scheduling and reach an optimal solution much faster than previous approaches for co-located LC services. Experimental results show that OSML supports higher loads and meets QoS targets with lower scheduling overheads and shorter convergence time than previous studies.

preprint2022arXiv

Investigate the Essence of Long-Tailed Recognition from a Unified Perspective

As the data scale grows, deep recognition models often suffer from long-tailed data distributions due to the heavy imbalanced sample number across categories. Indeed, real-world data usually exhibit some similarity relation among different categories (e.g., pigeons and sparrows), called category similarity in this work. It is doubly difficult when the imbalance occurs between such categories with similar appearances. However, existing solutions mainly focus on the sample number to re-balance data distribution. In this work, we systematically investigate the essence of the long-tailed problem from a unified perspective. Specifically, we demonstrate that long-tailed recognition suffers from both sample number and category similarity. Intuitively, using a toy example, we first show that sample number is not the unique influence factor for performance dropping of long-tailed recognition. Theoretically, we demonstrate that (1) category similarity, as an inevitable factor, would also influence the model learning under long-tailed distribution via similar samples, (2) using more discriminative representation methods (e.g., self-supervised learning) for similarity reduction, the classifier bias can be further alleviated with greatly improved performance. Extensive experiments on several long-tailed datasets verify the rationality of our theoretical analysis, and show that based on existing state-of-the-arts (SOTAs), the performance could be further improved by similarity reduction. Our investigations highlight the essence behind the long-tailed problem, and claim several feasible directions for future work.

preprint2022arXiv

Massive Unsourced Random Access over Rician Fading Channels: Design, Analysis, and Optimization

In this paper, we investigate an unsourced random access scheme for massive machine-type communications (mMTC) in the sixth-generation (6G) wireless networks with sporadic data traffic. Firstly, we establish a general framework for massive unsourced random access based on a two-layer signal coding, i.e., an outer code and an inner code. In particular, considering Rician fading in the scenario of mMTC, we design a novel codeword activity detection algorithm for the inner code of unsourced random access based on the distribution of received signals by exploiting the maximum likelihood (ML) method. Then, we analyze the performance of the proposed codeword activity detection algorithm exploiting Fisher Information Matrix, which facilitates the derivative of the approximated distribution of the estimation error of the codeword activity vector when the number of base station (BS) antennas is sufficiently large. Furthermore, for the outer code, we propose an optimization algorithm to allocate the lengths of message bits and parity check bits, so as to strike a balance between the error probability and the complexity required for outer decoding. Finally, extensive simulation results validate the effectiveness of the proposed detection algorithm and the optimized length allocation scheme compared with an existing detection algorithm and a fixed length allocation scheme.

preprint2022arXiv

Memory AMP

Approximate message passing (AMP) is a low-cost iterative parameter-estimation technique for certain high-dimensional linear systems with non-Gaussian distributions. AMP only applies to independent identically distributed (IID) transform matrices, but may become unreliable (e.g., perform poorly or even diverge) for other matrix ensembles, especially for ill-conditioned ones. To solve this issue, orthogonal/vector AMP (OAMP/VAMP) was proposed for general right-unitarily-invariant matrices. However, the Bayes-optimal OAMP/VAMP (BO-OAMP/VAMP) requires a high-complexity linear minimum mean square error (MMSE) estimator. This prevents OAMP/VAMP from being used in large-scale systems. To address the drawbacks of AMP and BO-OAMP/VAMP, this paper offers a memory AMP (MAMP) framework based on the orthogonality principle, which ensures that estimation errors in MAMP are asymptotically IID Gaussian. To realize the required orthogonality for MAMP, we provide an orthogonalization procedure for the local memory estimators. In addition, we propose a Bayes-optimal MAMP (BO-MAMP), in which a long-memory matched filter is used for interference suppression. The complexity of BO-MAMP is comparable to AMP. To asymptotically characterize the performance of BO-MAMP, a state evolution is derived. The relaxation parameters and damping vector in BO-MAMP are optimized based on state evolution. Most crucially, the state evolution of the optimized BO-MAMP converges to the same fixed point as that of the high-complexity BO-OAMP/VAMP for all right-unitarily-invariant matrices, and achieves the Bayes optimal MSE predicted by the replica method if its state evolution has a unique fixed point. Finally, simulations are provided to verify the theoretical results' validity and accuracy.

preprint2022arXiv

OmniUV: A Multi-Purpose Simulation Toolkit for VLBI Observation

We present OmniUV, a multi-purpose simulation toolkit for space and ground VLBI observations. It supports various kinds of VLBI stations, including Earth (ground) fixed, Earth orbit, Lunar fixed, Lunar orbit, Moon-Earth and Earth-Sun Lagrange 1 and 2 points, etc. The main functionalities of this toolkit are: (1) Trajectory calculation; (2) Baseline uv calculation, by taking the vailability of each station into account; (3) Visibility simulation for the given uv distribution, source structure and system noise; (4) Image and beam reconstruction. Two scenarios, namely space VLBI network and wide field array, are presented as demonstrations of the toolkit applications in completely different scales. OmniUV is the acronym of "Omnipotent UV". We hope it could work as a general framework, in which various kinds of stations could be easily incorporated and the functionalities could be further extended. The toolkit has been made publicly available.

preprint2022arXiv

QuCloud+: A Holistic Qubit Mapping Scheme for Single/Multi-programming on 2D/3D NISQ Quantum Computers

Qubit mapping is essential to quantum computing's fidelity and quantum computers' resource utilization. Yet, the existing qubit mapping schemes meet some challenges (e.g., crosstalk, SWAP overheads, diverse device topologies, etc.), leading to qubit resource under-utilization, high error rate, and low fidelity in computing results. This paper presents QuCloud+, a new qubit mapping scheme capable of handling these challenges. QuCloud+ has several new designs. (1) QuCloud+ enables multi-programming quantum computing on quantum chips with 2D/3D topology. (2) It partitions physical qubits for concurrent quantum programs with the crosstalk-aware community detection technique and further allocates qubits according to qubit degree, improving fidelity and resource utilization. (3) QuCloud+ includes an X-SWAP mechanism that avoids SWAPs with high crosstalk errors and enables inter-program SWAPs to reduce the SWAP overheads. (4) QuCloud+ schedules concurrent quantum programs to be mapped and executed based on estimated fidelity for the best practice. QuCloud+ outperforms the previous multi-programming work on various devices by 6.84% on fidelity and saves 40.9% additional gates required during mapping transition.

preprint2022arXiv

RIS-Aided Multiuser MIMO-OFDM with Linear Precoding and Iterative Detection: Analysis and Optimization

In this paper, we consider a reconfigurable intelligence surface (RIS) aided uplink multiuser multi-input multi-output (MIMO) orthogonal frequency division multiplexing (OFDM) system, where the receiver is assumed to conduct low-complexity iterative detection. We aim to minimize the total transmit power by jointly designing the precoder of the transmitter and the passive beamforming of the RIS. This problem can be tackled from the perspective of information theory. But this information-theoretic approach may involve prohibitively high complexity since the number of rate constraints that specify the capacity region of the uplink multiuser channel is exponential in the number of users. To avoid this difficulty, we formulate the design problem of the iterative receiver under the constraints of a maximal iteration number and target bit error rates of users. To tackle this challenging problem, we propose a groupwise successive interference cancellation (SIC) optimization approach, where the signals of users are decoded and cancelled in a group-by-group manner. We present a heuristic user grouping strategy, and resort to the alternating optimization technique to iteratively solve the precoding and passive beamforming sub-problems. Specifically, for the precoding sub-problem, we employ fractional programming to convert it to a convex problem; for the passive beamforming sub-problem, we adopt successive convex approximation to deal with the unit-modulus constraints of the RIS. We show that the proposed groupwise SIC approach has significant advantages in both performance and computational complexity, as compared with the counterpart approaches.

preprint2022arXiv

Space-Air-Ground Integrated Multi-domain Network Resource Orchestration based on Virtual Network Architecture: a DRL Method

Traditional ground wireless communication networks cannot provide high-quality services for artificial intelligence (AI) applications such as intelligent transportation systems (ITS) due to deployment, coverage and capacity issues. The space-air-ground integrated network (SAGIN) has become a research focus in the industry. Compared with traditional wireless communication networks, SAGIN is more flexible and reliable, and it has wider coverage and higher quality of seamless connection. However, due to its inherent heterogeneity, time-varying and self-organizing characteristics, the deployment and use of SAGIN still faces huge challenges, among which the orchestration of heterogeneous resources is a key issue. Based on virtual network architecture and deep reinforcement learning (DRL), we model SAGIN's heterogeneous resource orchestration as a multi-domain virtual network embedding (VNE) problem, and propose a SAGIN cross-domain VNE algorithm. We model the different network segments of SAGIN, and set the network attributes according to the actual situation of SAGIN and user needs. In DRL, the agent is acted by a five-layer policy network. We build a feature matrix based on network attributes extracted from SAGIN and use it as the agent training environment. Through training, the probability of each underlying node being embedded can be derived. In test phase, we complete the embedding process of virtual nodes and links in turn based on this probability. Finally, we verify the effectiveness of the algorithm from both training and testing.

preprint2022arXiv

Sufficient Statistic Memory Approximate Message Passing

Approximate message passing (AMP) type algorithms have been widely used in the signal reconstruction of certain large random linear systems. A key feature of the AMP-type algorithms is that their dynamics can be correctly described by state evolution. However, state evolution does not necessarily guarantee the convergence of iterative algorithms. To solve the convergence problem of AMP-type algorithms in principle, this paper proposes a memory AMP (MAMP) under a sufficient statistic condition, named sufficient statistic MAMP (SS-MAMP). We show that the covariance matrices of SS-MAMP are L-banded and convergent. Given an arbitrary MAMP, we can construct the SS-MAMP by damping, which not only ensures the convergence, but also preserves the orthogonality, i.e., its dynamics can be correctly described by state evolution.

preprint2022arXiv

The $C^0$-convergence at the Neumann boundary for Liouville equations

In this paper, we study the blow-up analysis for a sequence of solutions to the Liouville type equation with exponential Neumann boundary condition. For interior case, i.e. the blow-up point is an interior point, Li \cite{Li} gave a uniform asymptotic estimate. Later, Zhang \cite{Zhang} and Gluck \cite{Gluck} improved Li's estimate in the sense of $C^0$-convergence by using the method of moving planes or classification of solutions of the linearized version of Liouville equation. If the sequence blows up at a boundary point, Bao-Wang-Zhou \cite{Bao-Wang-Zhou} proved a similar asymptotic estimate of Li \cite{Li}. In this paper, we will prove a $C^0$-convergence result in this boundary blow-up process. Our method is different from \cite{Zhang,Gluck}.

preprint2021arXiv

A molecular dynamics simulation study on the frustrated Lewis pairs in ionic liquids

Steric hindered frustrated Lewis pairs (FLPs) have been shown to activate hydrogen molecules, and their reactivity is strongly determined by the geometric parameters of the Lewis acid s and bases. A recent experimental study showed that ionic liquids (ILs) could largely improve the effective configuration of FLPs. However, the detailed mechanistic profile is still unclear. Herein, we performed a molecular dynamics (MD) simulations, aimi ng to reveal the effects of ILs on the structures of FLPs, and to present a rule for selecting more efficient reaction media. For this purpose, mixture systems were adopt consisting of the ILs [Cnmim][NTf2] (n= 6, 10, 14), and the typical FLP (tBu)3P/B(C6F5)3 . Radial distribution function (RDF) results show that toluene competes with (tBu)3P to interact with B(C6F5)3 , resulting in a relatively low effective (tBu)3P/B(C6F5)3 complex. [Cnmim][NTf2] is more intended to form a solvated shell surrounding the (tBu)3P/B(C6F5)3 , which increases the amount of effective FLPs. Spatial distribution function (SDF) results show that toluene formed a continuum solvation shell, which hinders the interactions of (tBu)3P and B(C6F5)3 , while [Cnmim][NTf2] leave a relatively large empty space, which is accessible by (tBu3)P molecules, resulting in a higher probability of Lewis acids and bases interactions. Lastly, we find that the longer alkyl chain length of[Cnmim] cations, the higher probability of effective FLPs.

preprint2021arXiv

Efficient electrochemical reduction of CO2 to CO by soft functional materials

Electrochemical reduction of CO2 to CO is a promising strategy. However, achieving high Faradaic efficiency with high current density using ILs electrolyte remains a challenge. In this study, the IL N octyltrimethyl 1,2,4 triazole ammonium shows outstanding performance for electrochemical reduction of CO2 to CO on the commercial Ag electrode, and the current density can be up to 50.8 mA cm-2 with a Faradaic efficiency of 90.6%. The current density of CO is much higher than those reported in the ILs electrolyte. In addition, the density functional theory calculation further proved that IL interacts with CO2 to form IL CO2 complex which played a key role in reducing the activation energy of CO2. According to the molecular orbital theory, the electrons obtained from ILs was filled in the anti bonding orbit of the CO2, resulting in reducing the C=O bond energy. This work provides a new strategy to design novel ILs for high efficiency electrochemical reduction of CO2 to CO.

preprint2021arXiv

Mechanisms behind high CO2/CH4 selectivity using ZIF-8 metal organic frameworks with encapsulated ionic liquids: a computational study

CO2/CH4 separation using ionic liquids (ILs) encapsulated metal-organic frameworks (MOFs), especially ZIF-8, has shown promise as a new technique for separating CO2 from CH4. However, the mechanisms behind the high CO2/CH4 selectivity of the method remains indistinct. Here we report the progress of understanding the mechanisms from examining the ZIF-8 aperture configuration variation using DFT and MD simulations. The results indicate that the pristine aperture configuration exhibits the best separation performance, and the addition of ILs prevents the apertures from large swing (i.e. configuration variation). Subsequently, the effect of IL viscosity on the layout variation was investigated. MD simulations also show that the pristine aperture configuration is more stabilized by ILs with large viscosity (0-87Cp). Further increase of IL viscosity above 87Cp did not result in noticeable changes in the aperture stability.

preprint2021arXiv

Semi-Supervised Active Learning for COVID-19 Lung Ultrasound Multi-symptom Classification

Ultrasound (US) is a non-invasive yet effective medical diagnostic imaging technique for the COVID-19 global pandemic. However, due to complex feature behaviors and expensive annotations of US images, it is difficult to apply Artificial Intelligence (AI) assisting approaches for lung's multi-symptom (multi-label) classification. To overcome these difficulties, we propose a novel semi-supervised Two-Stream Active Learning (TSAL) method to model complicated features and reduce labeling costs in an iterative procedure. The core component of TSAL is the multi-label learning mechanism, in which label correlations information is used to design multi-label margin (MLM) strategy and confidence validation for automatically selecting informative samples and confident labels. On this basis, a multi-symptom multi-label (MSML) classification network is proposed to learn discriminative features of lung symptoms, and a human-machine interaction is exploited to confirm the final annotations that are used to fine-tune MSML with progressively labeled data. Moreover, a novel lung US dataset named COVID19-LUSMS is built, currently containing 71 clinical patients with 6,836 images sampled from 678 videos. Experimental evaluations show that TSAL using only 20% data can achieve superior performance to the baseline and the state-of-the-art. Qualitatively, visualization of both attention map and sample distribution confirms the good consistency with the clinic knowledge.

preprint2021arXiv

The effects of ionic liquids on the thermodynamics of H2 activation by frustrated Lewis pairs: a density functional theory study

Nowadays, hydrogen activation by frustrated Lewis pairs (FLPs) and their applications have been demonstrated to be one of emerge research topics in the field of catalysis. Previous studies have shown that the thermodynamics of these reaction is determined by electronic structures of FLPs and solvents. Herein, we investigated the systems consisting of typical FLPs and ionic liquids (ILs), which are well known by their large number of types and excellent solvent effects. The density functional theory (DFT) calculations were performed to study the thermodynamics for H2 activation by both inter- and intra-molecular FLPs, as well as the individual components. The results show that the computed overall Gibbs free energies in ILs are more negative than that computed in toluene. Through the thermodynamics partitioning, we find that ILs favor the H-H cleavage elemental step, while disfavored the elemental steps of proton attachment, hydride attachment and zwitterionic stabilization. Moreover, the results show that these effects are strongly dependent on the type of FLPs, where intra-molecular FLPs are more effected compared to the inter-molecular FLPs.

preprint2020arXiv

A New Qubits Mapping Mechanism for Multi-programming Quantum Computing

For a specific quantum chip, multi-programming helps to improve overall throughput and resource utilization. However, the previous solutions for mapping multiple programs onto a quantum chip often lead to resource under-utilization, high error rate and low fidelity. In this paper, we propose a new approach to map concurrent quantum programs. Our approach has three critical components. The first one is the Community Detection Assisted Partition (CDAP) algorithm, which partitions physical qubits for concurrent quantum programs by considering both physical typology and the error rates, avoiding the waste of robust resources. The second one is the X-SWAP scheme that enables inter-program SWAP operations to reduce the SWAP overheads. Finally, we propose a compilation task scheduling framework, which dynamically selects concurrent quantum programs to be executed based on estimated fidelity, increasing the throughput of the quantum computer. We evaluate our work on publicly available quantum computer IBMQ16 and a simulated quantum chip IBMQ20. Our work outperforms the previous solution on multi-programming in both fidelity and SWAP overheads by 12.0% and 11.1%, respectively.

preprint2020arXiv

Accelerating Deep Learning Inference with Cross-Layer Data Reuse on GPUs

Accelerating the deep learning inference is very important for real-time applications. In this paper, we propose a novel method to fuse the layers of convolutional neural networks (CNNs) on Graphics Processing Units (GPUs), which applies data reuse analysis and access optimization in different levels of the memory hierarchy. To achieve the balance between computation and memory access, we explore the fusion opportunities in the CNN computation graph and propose three fusion modes of convolutional neural networks: straight, merge and split. Then, an approach for generating efficient fused code is designed, which goes deeper in multi-level memory usage for cross-layer data reuse. The effectiveness of our method is evaluated with the network layers from state-of-the-art CNNs on two different GPU platforms, NVIDIA TITAN Xp and Tesla P4. The experiments show that the average speedup is 2.02x on representative structures of CNNs, and 1.57x on end-to-end inference of SqueezeNet.

preprint2020arXiv

Challenge-Aware RGBT Tracking

RGB and thermal source data suffer from both shared and specific challenges, and how to explore and exploit them plays a critical role to represent the target appearance in RGBT tracking. In this paper, we propose a novel challenge-aware neural network to handle the modality-shared challenges (e.g., fast motion, scale variation and occlusion) and the modality-specific ones (e.g., illumination variation and thermal crossover) for RGBT tracking. In particular, we design several parameter-shared branches in each layer to model the target appearance under the modality-shared challenges, and several parameterindependent branches under the modality-specific ones. Based on the observation that the modality-specific cues of different modalities usually contains the complementary advantages, we propose a guidance module to transfer discriminative features from one modality to another one, which could enhance the discriminative ability of some weak modality. Moreover, all branches are aggregated together in an adaptive manner and parallel embedded in the backbone network to efficiently form more discriminative target representations. These challenge-aware branches are able to model the target appearance under certain challenges so that the target representations can be learnt by a few parameters even in the situation of insufficient training data. From the experimental results we will show that our method operates at a real-time speed while performing well against the state-of-the-art methods on three benchmark datasets.

preprint2020arXiv

Chebyshev Polynomial Method to Landauer-Büttiker Formula of Quantum Transport in Nanostructures

Landauer-Büttiker formula describes the electronic quantum transports in nanostructures and molecules. It will be numerically demanding for simulations of complex or large size systems due to, for example, matrix inversion calculations. Recently, Chebyshev polynomial method has attracted intense interests in numerical simulations of quantum systems due to the high efficiency in parallelization, because the only matrix operation it involves is just the product of sparse matrices and vectors. Many progresses have been made on the Chebyshev polynomial representations of physical quantities for isolated or bulk quantum structures. Here we present the Chebyshev polynomial method to the typical electronic scattering problem, the Landauer-Büttiker formula for the conductance of quantum transports in nanostructures. We first describe the full algorithm based on the standard bath kernel polynomial method (KPM). Then, we present two simple butefficient improvements. One of them has a time consumption remarkably less than the direct matrix calculation without KPM. Some typical examples are also presented to illustrate the numerical effectiveness.

preprint2020arXiv

Electrical and thermal transport properties of medium-entropy SiyGeySnx alloys

Electrical and thermal transport properties of disordered materials have long been of both theoretical interest and engineering importance. As a new class of materials with an intrinsic compositional disorder, high/medium-entropy alloys (HEAs/MEAs) are being immensely studied mainly for their excellent mechanical properties. By contrast, electrical and thermal transport properties of HEAs/MEAs are less well studied. Here we investigate these two properties of silicon (Si)-germanium (Ge)-tin (Sn) MEAs, where we keep the same content of Si and Ge while increasing the content of Sn from 0 to 1/3 to tune the configurational entropy and thus the degree of compositional disorder. We predict all SiyGeySnx MEAs to be semiconductors with a wide range of bandgaps from near-infrared (0.28 eV) to visible (1.11 eV) in the light spectrum. We find that the bandgaps and effective carrier masses decrease with increasing Sn content. As a result, increasing the compositional disorder in SiyGeySnx MEAs enhances their electrical conductivity. For the thermal transport properties of SiyGeySnx MEAs, our molecular dynamics simulations show an opposite trend in the thermal conductivity of these MEAs at room temperature, which decreases with increasing compositional disorder, owing to enhanced Anderson localization and strong phonon-phonon anharmonic interactions. The enhanced electrical conductivity and weakened thermal conductivity make SiyGeySnx MEAs with high Sn content promising functional materials for thermoelectric applications. Our work demonstrates that HEAs/MEAs not only represent a new class of structural alloys but also a novel category of functional alloys with unique electrical and thermal transport properties.

preprint2020arXiv

Four-dimensional Vibrational Spectroscopy for Nanoscale Mapping of Phonon Dispersion in BN Nanotubes

Direct measurement of local phonon dispersion in individual nanostructures can greatly advance our understanding of their electrical, thermal, and mechanical properties. However, such experimental measurements require extremely high detection sensitivity and combined spatial, energy and momentum resolutions, thus has been elusive. Here, we develop a four-dimensional electron energy loss spectroscopy (4D-EELS) technique based a monochromated scanning transmission electron microscope (STEM), and present the position-dependent phonon dispersion measurement in individual boron nitride nanotubes (BNNTs). Our measurement shows that the unfolded phonon dispersion of multi-walled BNNTs is close to hexagonal-boron nitride (h-BN) crystals, suggesting that interlayer coupling and curved geometry have no substantial impacts on phonon dispersion. We also find that the acoustic phonons are extremely sensitive to momentum-dependent defect scattering, while optical phonons are much less susceptible. This work not only provides useful insights into vibrational properties of BNNTs, but also demonstrates huge prospects of the developed 4D-EELS technique in nanoscale phonon dispersion measurements.

preprint2020arXiv

Identification of splicing edges in tampered image based on Dichromatic Reflection Model

Imaging is a sophisticated process combining a plenty of photovoltaic conversions, which lead to some spectral signatures beyond visual perception in the final images. Any manipulation against an original image will destroy these signatures and inevitably leave some traces in the final forgery. Therefore we present a novel optic-physical method to discriminate splicing edges from natural edges in a tampered image. First, we transform the forensic image from RGB into color space of S and o1o2. Then on the assumption of Dichromatic Reflection Model, edges in the image are discovered by composite gradient and classified into different types based on their different photometric properties. Finally, splicing edges are reserved against natural ones by a simple logical algorithm. Experiment results show the efficacy of the proposed method.

preprint2020arXiv

In Situ Epitaxy of Pure Phase Ultra-Thin InAs-Al Nanowires for Quantum Devices

Hybrid semiconductor-superconductor InAs-Al nanowires with uniform and defect-free crystal interfaces are one of the most promising candidates used in the quest for Majorana zero modes (MZMs). However, InAs nanowires often exhibit a high density of randomly distributed twin defects and stacking faults, which result in an uncontrolled and non-uniform InAs-Al interface. Furthermore, this type of disorder can create potential inhomogeneity in the wire, destroy the topological gap, and form trivial sub-gap states mimicking MZM in transport experiments. Further study shows that reducing the InAs nanowire diameter from growth can significantly suppress the formation of these defects and stacking faults. Here, we demonstrate the in situ growth of ultra-thin InAs nanowires with epitaxial Al film by molecular-beam epitaxy. Our InAs diameter (~ 30 nm) is only one-third of the diameters (~ 100 nm) commonly used in literatures. The ultra-thin InAs nanowires are pure phase crystals for various different growth directions, suggesting a low level of disorder. Transmission electron microscopy confirms an atomically sharp and uniform interface between the Al shell and the InAs wire. Quantum transport study on these devices resolves a hard induced superconducting gap and $2e^-$ periodic Coulomb blockade at zero magnetic field, a necessary step for future MZM experiments. A large zero bias conductance peak with a peak height reaching 80% of $2e^2/h$ is observed.

preprint2020arXiv

LANCE: Efficient Low-Precision Quantized Winograd Convolution for Neural Networks Based on Graphics Processing Units

Accelerating deep convolutional neural networks has become an active topic and sparked an interest in academia and industry. In this paper, we propose an efficient low-precision quantized Winograd convolution algorithm, called LANCE, which combines the advantages of fast convolution and quantization techniques. By embedding linear quantization operations into the Winograd-domain, the fast convolution can be performed efficiently under low-precision computation on graphics processing units. We test neural network models with LANCE on representative image classification datasets, including SVHN, CIFAR, and ImageNet. The experimental results show that our 8-bit quantized Winograd convolution improves the performance by up to 2.40x over the full-precision convolution with trivial accuracy loss.

preprint2020arXiv

PDANet: Pyramid Density-aware Attention Net for Accurate Crowd Counting

Crowd counting, i.e., estimating the number of people in a crowded area, has attracted much interest in the research community. Although many attempts have been reported, crowd counting remains an open real-world problem due to the vast scale variations in crowd density within the interested area, and severe occlusion among the crowd. In this paper, we propose a novel Pyramid Density-Aware Attention-based network, abbreviated as PDANet, that leverages the attention, pyramid scale feature and two branch decoder modules for density-aware crowd counting. The PDANet utilizes these modules to extract different scale features, focus on the relevant information, and suppress the misleading ones. We also address the variation of crowdedness levels among different images with an exclusive Density-Aware Decoder (DAD). For this purpose, a classifier evaluates the density level of the input features and then passes them to the corresponding high and low crowded DAD modules. Finally, we generate an overall density map by considering the summation of low and high crowded density maps as spatial attention. Meanwhile, we employ two losses to create a precise density map for the input scene. Extensive evaluations conducted on the challenging benchmark datasets well demonstrate the superior performance of the proposed PDANet in terms of the accuracy of counting and generated density maps over the well-known state of the arts.

preprint2020arXiv

Person Re-Identification via Active Hard Sample Mining

Annotating a large-scale image dataset is very tedious, yet necessary for training person re-identification models. To alleviate such a problem, we present an active hard sample mining framework via training an effective re-ID model with the least labeling efforts. Considering that hard samples can provide informative patterns, we first formulate an uncertainty estimation to actively select hard samples to iteratively train a re-ID model from scratch. Then, intra-diversity estimation is designed to reduce the redundant hard samples by maximizing their diversity. Moreover, we propose a computer-assisted identity recommendation module embedded in the active hard sample mining framework to help human annotators to rapidly and accurately label the selected samples. Extensive experiments were carried out to demonstrate the effectiveness of our method on several public datasets. Experimental results indicate that our method can reduce 57%, 63%, and 49% annotation efforts on the Market1501, MSMT17, and CUHK03, respectively, while maximizing the performance of the re-ID model.

preprint2020arXiv

Stone-Wales Defects Preserve Hyperuniformity in Amorphous Two-Dimensional Materials

Crystalline two-dimensional (2D) materials such as graphene possess unique physical properties absent in their bulk form, enabling many novel device applications. Yet, little is known about their amorphous counterparts, which can be obtained by introducing the Stone-Wales (SW) topological defects via proton radiation. Here we provide strong numerical evidence that SW defects preserve hyperuniformity in hexagonal 2D materials, a recently discovered new state of matter characterized by vanishing normalized infinite-wavelength density fluctuations, which implies that all amorphous states of these materials are hyperuniform. Specifically, the static structure factor S(k) of these materials possesses the scaling S(k) ~ k^α for small wave number k, where 1<=α(p)<=2 is monotonically decreasing as the SW defect concentration p increases, indicating a transition from type-I to type-II hyperuniformity at p ~= 0.12 induced by the saturation of the SW defects. This hyperuniformity transition marks a structural transition from perturbed lattice structures to truly amorphous structures, and underlies the onset of strong correlation among the SW defects as well as a transition between distinct electronic transport mechanisms associated with different hyperuniformity classes.

preprint2020arXiv

Testing the Agreement of Trees with Internal Labels

The input to the agreement problem is a collection $P = \{T_1, T_2, \dots , T_k\}$ of phylogenetic trees, called input trees, over partially overlapping sets of taxa. The question is whether there exists a tree $T$, called an agreement tree, whose taxon set is the union of the taxon sets of the input trees, such that for each $i \in \{1, 2, \dots , k\}$, the restriction of $T$ to the taxon set of $T_i$ is isomorphic to $T_i$. We give a $O(n k (\sum_{i \in [k]} d_i + \log^2(nk)))$ algorithm for a generalization of the agreement problem in which the input trees may have internal labels, where $n$ is the total number of distinct taxa in $P$, $k$ is the number of trees in $P$, and $d_i$ is the maximum number of children of a node in $T_i$.

preprint2020arXiv

Theoretical evidence for new adsorption sites of CO$_2$ on the Ag electrode surface

Nowadays, electrochemical reduction of CO$_2$ has been considered as an effective method to solve the problem of global warming. The primary challenge in studying the mechanism is to determine the adsorption states of CO$_2$, since complicated metal surfaces often result in many different adsorption sites. Based on the density functional theory (DFT) calculations, we performed a theoretical study on the adsorption of CO$_2$ on the Ag electrode surface. The results show that the adsorption populations of CO$_2$ are extremely sensitive to the adsorption sites. Importantly, we found that the preferable adsorption positions are the terrace sites, rather than the previous reported step sites. The adsorption populations were found with the order of (211) > (110) > (111) > (100). Subsequently, the adsorption characteristics were correlated with the d-band theory and the charge transfers between Ag surfaces and CO$_2$.

preprint2020arXiv

Towards Distributed Privacy-Preserving Prediction

In privacy-preserving machine learning, individual parties are reluctant to share their sensitive training data due to privacy concerns. Even the trained model parameters or prediction can pose serious privacy leakage. To address these problems, we demonstrate a generally applicable Distributed Privacy-Preserving Prediction (DPPP) framework, in which instead of sharing more sensitive data or model parameters, an untrusted aggregator combines only multiple models' predictions under provable privacy guarantee. Our framework integrates two main techniques to guarantee individual privacy. First, we introduce the improved Binomial Mechanism and Discrete Gaussian Mechanism to achieve distributed differential privacy. Second, we utilize homomorphic encryption to ensure that the aggregator learns nothing but the noisy aggregated prediction. Experimental results demonstrate that our framework has comparable performance to the non-private frameworks and delivers better results than the local differentially private framework and standalone framework.

preprint2020arXiv

Universal mechanical exfoliation of large-area 2D crystals

Two-dimensional (2D) materials provide extraordinary opportunities for exploring phenomena arising in atomically thin crystals. Beginning with the first isolation of graphene, mechanical exfoliation has been a key to provide high-quality 2D materials but despite improvements it is still limited in yield, lateral size and contamination. Here we introduce a contamination-free, one-step and universal Au-assisted mechanical exfoliation method and demonstrate its effectiveness by isolating 40 types of single-crystalline monolayers, including elemental 2D crystals, metal-dichalcogenides, magnets and superconductors. Most of them are of millimeter-size and high-quality, as shown by transfer-free measurements of electron microscopy, photo spectroscopies and electrical transport. Large suspended 2D crystals and heterojunctions were also prepared with high-yield. Enhanced adhesion between the crystals and the substrates enables such efficient exfoliation, for which we identify a common rule that underpins a universal route for producing large-area monolayers and thus supports studies of fundamental properties and potential application of 2D materials.

preprint2020arXiv

User Activity Detection and Channel Estimation for Grant-Free Random Access in LEO Satellite-Enabled Internet-of-Things

With recent advances on the dense low-earth orbit (LEO) constellation, LEO satellite network has become one promising solution to providing global coverage for Internet-of-Things (IoT) services. Confronted with the sporadic transmission from randomly activated IoT devices, we consider the random access (RA) mechanism, and propose a grant-free RA (GF-RA) scheme to reduce the access delay to the mobile LEO satellites. A Bernoulli-Rician message passing with expectation maximization (BR-MP-EM) algorithm is proposed for this terrestrial-satellite GF-RA system to address the user activity detection (UAD) and channel estimation (CE) problem. This BR-MP-EM algorithm is divided into two stages. In the inner iterations, the Bernoulli messages and Rician messages are updated for the joint UAD and CE problem. Based on the output of the inner iterations, the expectation maximization (EM) method is employed in the outer iterations to update the hyper-parameters related to the channel impairments. Finally, simulation results show the UAD and CE accuracy of the proposed BR-MP-EM algorithm, as well as the robustness against the channel impairments.

preprint2020arXiv

W-net: Simultaneous segmentation of multi-anatomical retinal structures using a multi-task deep neural network

Segmentation of multiple anatomical structures is of great importance in medical image analysis. In this study, we proposed a $\mathcal{W}$-net to simultaneously segment both the optic disc (OD) and the exudates in retinal images based on the multi-task learning (MTL) scheme. We introduced a class-balanced loss and a multi-task weighted loss to alleviate the imbalanced problem and to improve the robustness and generalization property of the $\mathcal{W}$-net. We demonstrated the effectiveness of our approach by applying five-fold cross-validation experiments on two public datasets e\_ophtha\_EX and DiaRetDb1. We achieved F1-score of 94.76\% and 95.73\% for OD segmentation, and 92.80\% and 94.14\% for exudates segmentation. To further prove the generalization property of the proposed method, we applied the trained model on the DRIONS-DB dataset for OD segmentation and on the MESSIDOR dataset for exudate segmentation. Our results demonstrated that by choosing the optimal weights of each task, the MTL based $\mathcal{W}$-net outperformed separate models trained individually on each task. Code and pre-trained models will be available at: \url{https://github.com/FundusResearch/MTL_for_OD_and_exudates.git}.

preprint2019arXiv

Compressing $Θ$-chain in slit geometry

When compressed in a slit of width $D$, a $Θ$-chain that displays the scaling of size $R_0$ (diameter) with respect to the number of monomers $N$, $R_0\sim aN^{1/2}$, expands in the lateral direction as $R_{\parallel}\sim a N^ν(a/D)^{2ν-1}$. Provided that the $Θ$ condition is strictly maintained throughout the compression, the well-known scaling exponent of $Θ$-chain in 2 dimensions, $ν=4/7$, is anticipated in a perfect confinement. However, numerics shows that upon increasing compression from $R_0/D<1$ to $R_0/D\gg 1$, $ν$ gradually deviates from $ν=1/2$ and plateaus at $ν=3/4$, the exponent associated with the self-avoiding walk in two dimensions. Using both theoretical considerations and numerics, we argue that it is highly nontrivial to maintain the $Θ$ condition under confinement because of two major effects. First, as the dimension is reduced from 3 to 2 dimensions, the contributions of higher order virial terms, which can be ignored in 3 dimensions at large $N$, become significant. Second and more importantly, the geometrical confinement, which is regarded as an applied external field, alters the second virial coefficient ($B_2$) changes from $B_2=0$ ($Θ$ condition) in free space to $B_2>0$ (good-solvent condition) in confinement. Our study provides practical insight into how confinement affects the conformation of a single polymer chain.

preprint2018arXiv

Iterative Channel Estimation Using LSE and Sparse Message Passing for MmWave MIMO Systems

We propose an iterative channel estimation algorithm based on the Least Square Estimation (LSE) and Sparse Message Passing (SMP) algorithm for the Millimeter Wave (mmWave) MIMO systems. The channel coefficients of the mmWave MIMO are approximately modeled as a Bernoulli-Gaussian distribution and the channel matrix is sparse with only a few non-zero entries. By leveraging the advantage of sparseness, we propose an algorithm that iteratively detects the exact locations and values of non-zero entries of the sparse channel matrix. At each iteration, the locations are detected by the SMP, and values are estimated with the LSE. We also analyze the Cramér-Rao Lower Bound (CLRB), and show that the proposed algorithm is a minimum variance unbiased estimator under the assumption that we have the partial priori knowledge of the channel. Furthermore, we employ the Gaussian approximation for message densities under density evolution to simplify the analysis of the algorithm, which provides a simple method to predict the performance of the proposed algorithm. Numerical experiments show that the proposed algorithm has much better performance than the existing sparse estimators, especially when the channel is sparse. In addition, our proposed algorithm converges to the CRLB of the genie-aided estimation of sparse channels with only five turbo iterations.

preprint2016arXiv

A LSE and Sparse Message Passing-Based Channel Estimation for mmWave MIMO Systems

In this paper, we propose a novel channel estimation algorithm based on the Least Square Estimation (LSE) and Sparse Message Passing algorithm (SMP), which is of special interest for Millimeter Wave (mmWave) systems, since this algorithm can leverage the inherent sparseness of the mmWave channel. Our proposed algorithm will iteratively detect exact the location and the value of non-zero entries of sparse channel vector without its prior knowledge of distribution. The SMP is used to detect exact the location of non-zero entries of the channel vector, while the LSE is used for estimating its value at each iteration. Then, the analysis of the Cramer-Rao Lower Bound (CRLB) of our proposed algorithm is given. Numerical experiments show that our proposed algorithm has much better performance than the existing sparse estimators (e.g. LASSO), especially when mmWave systems have massive antennas at both the transmitters and receivers. In addition, we also find that our proposed algorithm converges to the CRLB of the genie-aided estimation of sparse channels in just a few turbo iterations.

preprint2016arXiv

A Semiparametric Joint Model for Terminal Trend of Quality of Life and Survival in Palliative Care Research

Palliative medicine is an interdisciplinary specialty focusing on improving quality of life (QOL) for patients with serious illness and their families. Palliative care programs are available or under development at over 80% of large US hospitals (300+ beds). Palliative care clinical trials present unique analytic challenges relative to evaluating the palliative care treatment efficacy which is to improve patients diminishing QOL as disease progresses towards end of life (EOL). A unique feature of palliative care clinical trials is that patients will experience decreasing QOL during the trial despite potentially beneficial treatment. Often longitudinal QOL and survival data are highly correlated which, in the face of censoring, makes it challenging to properly analyze and interpret longitudinal QOL trajectory. To address these issues, we propose a novel semiparametric statistical approach to jointly model longitudinal QOL and survival data. There are two sub-models in our approach: a semiparametric mixed effects model for longitudinal QOL and a Cox model for survival. We use regression splines method to estimate the nonparametric curves and AIC to select knots. We assess the model through simulation and application to establish a novel modeling approach that could be applied in future palliative care treatment research trials.

preprint2016arXiv

Capacity-Achieving Iterative LMMSE Detection for MIMO-NOMA Systems

This paper considers a iterative Linear Minimum Mean Square Error (LMMSE) detection for the uplink Multiuser Multiple-Input and Multiple-Output (MU-MIMO) systems with Non-Orthogonal Multiple Access (NOMA). The iterative LMMSE detection greatly reduces the system computational complexity by departing the overall processing into many low-complexity distributed calculations. However, it is generally considered to be sub-optimal and achieves relatively poor performance. In this paper, we firstly present the matching conditions and area theorems for the iterative detection of the MIMO-NOMA systems. Based on the proposed matching conditions and area theorems, the achievable rate region of the iterative LMMSE detection is analysed. We prove that by properly design the iterative LMMSE detection, it can achieve (i) the optimal sum capacity of MU-MIMO systems, (ii) all the maximal extreme points in the capacity region of MU-MIMO system, and (iii) the whole capacity region of two-user MIMO systems.

preprint2016arXiv

Contact statistics highlight distinct organizing principles of proteins and RNA

Although both RNA and proteins have densely packed native structures, chain organizations of these two biopolymers are fundamentally different. Motivated by the recent discoveries in chromatin folding that interphase chromosomes have territorial organization with signatures pointing to metastability, we analyzed the biomolecular structures deposited in the Protein Data Bank and found that the intrachain contact probabilities, $P(s)$ as a function of the arc length $s$, decay in power-law $\sim s^{-γ}$ over the intermediate range of $s$, $10\lesssim s\lesssim 110$. We found that the contact probability scaling exponent is $γ\approx 1.11$ for large RNA ($N>110$), $γ\approx 1.41$ for small sized RNA ($N<110$), and $γ\approx 1.65$ for proteins. Given that Gaussian statistics is expected for a fully equilibrated chain in polymer melts, the deviation of $γ$ value from $γ=1.5$ for the subchains of large RNA in the native state suggests that the chain configuration of RNA is not fully equilibrated. It is visually clear that folded structures of large sized RNA ($N\gtrsim 110$) adopt crumpled structures, partitioned into modular multi-domains assembled by proximal sequences along the chain, whereas the polypeptide chain of folded proteins looks better mixed with the rest of the structure. Our finding of $γ\approx 1$ for large RNA might be an ineluctable consequence of the hierarchical ordering of the secondary to tertiary elements in the folding process.

preprint2016arXiv

Convergence Analysis and Assurance for Gaussian Message Passing Iterative Detector in Massive MU-MIMO Systems

This paper considers a low-complexity Gaussian Message Passing Iterative Detection (GMPID) algorithm for massive Multiuser Multiple-Input Multiple-Output (MU-MIMO) system, in which a base station with $M$ antennas serves $K$ Gaussian sources simultaneously. Both $K$ and $M$ are very large numbers, and we consider the cases that $K<M$. The GMPID is a low-complexity message passing algorithm based on a fully connected loopy graph, which is well understood to be not convergent in some cases. As it is hard to analyse the GMPID directly, the large-scale property of the massive MU-MIMO is used to simplify the analysis. Firstly, we prove that the variances of the GMPID definitely converge to the mean square error of Minimum Mean Square Error (MMSE) detection. Secondly, we propose two sufficient conditions that the means of the GMPID converge to those of the MMSE detection. However, the means of GMPID may not converge when $ K/M\geq (\sqrt{2}-1)^2$. Therefore, a new convergent GMPID called SA-GMPID (scale-and-add GMPID) , which converges to the MMSE detection in mean and variance for any $K<M$ and has a faster convergence speed than the GMPID, but has no higher complexity than the GMPID, is proposed. Finally, numerical results are provided to verify the validity and accuracy of the theoretical results.

preprint2016arXiv

Effect of Densification on Cellular Network Performance with Bounded Pathloss Model

In this paper, we investigate how network densification influences the performance of downlink cellular network in terms of coverage probability (CP) and area spectral efficiency (ASE). Instead of the simplified unbounded pathloss model (UPM), we apply a more realistic bounded pathloss model (BPM) to model the decay of signal power caused by pathloss. It is shown that network densification indeed degrades CP when the base station (BS) density $λ$ is sufficiently large. This is inconsistent with the result derived using UPM that CP is independent of $λ$. Moreover, we shed light on the impact of ultra-dense deployment of BSs on the ASE scaling law. Specifically, it is proved that the cellular network ASE scales with rate $λe^{-κλ}$, i.e., first increases with $λ$ and then diminishes to be zero as $λ$ goes to infinity.

preprint2016arXiv

Gaussian Message Passing Iterative Detection for MIMO-NOMA Systems with Massive Access

This paper considers a low-complexity Gaussian Message Passing Iterative Detection (GMPID) algorithm for Multiple-Input Multiple-Output systems with Non-Orthogonal Multiple Access (MIMO-NOMA), in which a base station with $N_r$ antennas serves $N_u$ sources simultaneously. Both $N_u$ and $N_r$ are very large numbers and we consider the cases that $N_u>N_r$. The GMPID is based on a fully connected loopy graph, which is well understood to be not convergent in some cases. The large-scale property of the MIMO-NOMA is used to simplify the convergence analysis. Firstly, we prove that the variances of the GMPID definitely converge to that of Minimum Mean Square Error (MMSE) detection. Secondly, two sufficient conditions that the means of the GMPID converge to a higher MSE than that of the MMSE detection are proposed. However, the means of the GMPID may still not converge when $ N_u/N_r< (\sqrt{2}-1)^{-2}$. Therefore, a new convergent SA-GMPID is proposed, which converges to the MMSE detection for any $N_u> N_r$ with a faster convergence speed. Finally, numerical results are provided to verify the validity of the proposed theoretical results.

preprint2016arXiv

Heat flow of extrinsic biharmonic maps from a four dimensional manifold with boundary

Let $(M,g)$ be a four dimensional compact Riemannian manifold with boundary and $(N,h)$ be a compact Riemannian manifold without boundary. We show the existence of a unique, global weak solution of the heat flow of extrinsic biharmonic maps from $M$ to $N$ under the Dirichlet boundary condition, which is regular with the exception of at most finitely many time slices. We also discuss the behavior of solution near the singular times. As an immediate application, we prove the existence of a smooth extrinsic biharmonic map from $M$ to $N$ under any Dirichlet boundary condition.

preprint2016arXiv

Large influence of capping layers on tunnel magnetoresistance in magnetic tunnel junctions

It has been reported in experiments that capping layers which enhance the perpendicular magnetic anisotropy (PMA) of magnetic tunnel junctions (MTJs) induce great impact on the tunnel magnetoresistance (TMR). To explore the essential influence caused by capping layers, we carry out ab initio calculations on TMR in the X(001)|CoFe(001)|MgO(001)|CoFe(001)|X(001) MTJ, where X represents the capping layer material which can be tungsten, tantalum or hafnium. We report TMR in different MTJs and demonstrate that tungsten is an ideal candidate for a giant TMR ratio. The transmission spectrum in Brillouin zone is presented. It can be seen that in the parallel condition of MTJ, sharp transmission peaks appear in the minority-spin channel. This phenomenon is attributed to the resonant tunnel transmission effect and we explained it by the layer-resolved density of states (DOS). In order to explore transport properties in MTJs, the density of scattering states (DOSS) was studied from the point of band symmetry. It has been found that CoFe|tungsten interface blocks scattering states transmission in the anti-parallel condition. This work reports TMR and transport properties in MTJs with different capping layers, and proves that tungsten is a proper capping layer material, which would benefit the design and optimization of MTJs.

preprint2016arXiv

Modeling and Analysis of SCMA Enhanced D2D and Cellular Hybrid Network

Sparse code multiple access (SCMA) has been recently proposed for the future wireless networks, which allows non-orthogonal spectrum resource sharing and enables system overloading. In this paper, we apply SCMA into device-to-device (D2D) communication and cellular hybrid network, targeting at using the overload feature of SCMA to support massive device connectivity and expand network capacity. Particularly, we develop a stochastic geometry based framework to model and analyze SCMA, considering underlaid and overlaid mode. Based on the results, we analytically compare SCMA with orthogonal frequency-division multiple access (OFDMA) using area spectral efficiency (ASE) and quantify closed-form ASE gain of SCMA over OFDMA. Notably, it is shown that system ASE can be significantly improved using SCMA and the ASE gain scales linearly with the SCMA codeword dimension. Besides, we endow D2D users with an activated probability to balance cross-tier interference in the underlaid mode and derive the optimal activated probability. Meanwhile, we study resource allocation in the overlaid mode and obtain the optimal codebook allocation rule. It is interestingly found that the optimal SCMA codebook allocation rule is independent of cellular network parameters when cellular users are densely deployed. The results are helpful in the implementation of SCMA in the hybrid system.

preprint2016arXiv

One-step green synthesis of graphene nanomesh by fluid-based method

A fluid-based method is demonstrated for preparing graphene nanomeshes (GNMs) directly from pristine graphite flakes by a one-step process. The high efficiency is attributed to the combination of fluid-assisted exfoliation and perforation of the graphene sheets. Atomic force microscopy shows that the as-produced GNMs are less than 1.5 nm thick. The total area of the pores within 1 um2 of the GNM sheet is estimated as ~0.15 um2 and the pore density as ~22 um-2, The yield of GNMs from pristine graphite powder and the power consumption for per gram GNM synthesis are evaluated as 5 wt% and 120 kWh, respectively. X-ray photoelectron spectroscopy, infrared spectroscopy, elemental analysis and Raman spectroscopy results indicate the purity of the GNMs and thus it is a green efficient method. The present work is expected to facilitate the production of GNMs in large scale.

preprint2015arXiv

A Low-Complexity Gaussian Message Passing Iterative Detector for Massive MU-MIMO Systems

This paper considers a low-complexity Gaussian Message Passing Iterative Detection (GMPID) method over a pairwise graph for a massive Multiuser Multiple-Input Multiple-Output (MU-MIMO) system, in which a base station with M antennas serves K Gaussian sources simultaneously. Both K and M are large numbers and we consider the cases that K<M in this paper. The GMPID is a message passing algorithm based on a fully connected loopy graph, which is well known that it is not convergent in some cases. In this paper, we first analyse the convergence of GMPID. Two sufficient conditions that the GMPID converges to the Minimum Mean Square Error (MMSE) detection are proposed. However, the GMPID may still not converge when $K/M>(\sqrt{2}-1)^2$. Therefore, a new convergent GMPID with equally low complexity called SA-GMPID is proposed, which converges to the MMSE detection for any K< M with a faster convergence speed. Finally, numerical results are provided to verify the validity and accuracy of the proposed theoretical results.

preprint2015arXiv

Blowup behavior of harmonic maps with finite index

In this paper, we study the blow-up phenomena on the $α_k$-harmonic map sequences with bounded uniformly $α_k$-energy, denoted by $\{u_{α_k}: α_k>1 \quad \mbox{and} \quad α_k\searrow 1\}$, from a compact Riemann surface into a compact Riemannian manifold. If the Ricci curvature of the target manifold is of a positive lower bound and the indices of the $α_k$-harmonic map sequence with respect to the corresponding $α_k$-energy are bounded, then, we can conclude that, if the blow-up phenomena occurs in the convergence of $\{u_{α_k}\}$ as $α_k\searrow 1$, the limiting necks of the convergence of the sequence consist of finite length geodesics, hence the energy identity holds true. For a harmonic map sequence $u_k:(Σ,h_k)\rightarrow N$, where the conformal class defined by $h_k$ diverges, we also prove some similar results.

preprint2015arXiv

Marginalized Two Part Models for Generalized Gamma Family of Distributions

Positive continuous outcomes with a point mass at zero are prevalent in biomedical research. To model the point mass at zero and to provide marginalized covariate effect estimates, marginalized two part models (MTP) have been developed for outcomes with lognormal and log skew normal distributions. In this paper, we propose MTP models for outcomes from a generalized gamma (GG) family of distributions. In the proposed MTP-GG model, the conditional mean from a two-part model with a three-parameter GG distribution is parameterized to provide regression coefficients that have marginal interpretation. MTP-gamma and MTP-Weibull are developed as special cases of MTP-GG. We derive marginal covariate effect estimators from each model and through simulations assess their finite sample operating characteristics in terms of bias, standard errors, 95% coverage, and rate of convergence. We illustrate the models using data sets from The Medical Expenditure Survey (MEPS) and from a randomized trial of addictive disorders and we provide SAS code for implementation. The simulation results show that when the response distribution is unknown or mis-specified, which is usually the case in real data sets, the MTP-GG is preferable over other models.

preprint2015arXiv

Spatiotemporal Intermittency on the Growing Surface of Coupled Sandpiles

The surface of conservative coupled sandpiles in the self-organized cooperative critical state is found to exhibit intermittency in both time and space. The spatiotemporal intermittent structure is also found to be a multifractal. The probability density of sand grain heights on the surface is an asymptotic power law but with an exponential cut-off. The power spectra of the time series of sand grain heights show a diversity of low-frequency components over different sites on the surface and also over different ensemble samples. This means that the long-term prediction according to the nearby observations and the history experiences is very difficult in the world of coupled sandpiles. Unlike the low-frequency spectra, the high-frequency spectra seem to obey a universal $f^{-2}$ law.

preprint2014arXiv

A brief introduction to giant magnetoresistance

Giant magnetoresistance (GMR) is a quantum mechanical magnetoresistance effect observed in thin film structures composed of alternating ferromagnetic and nonmagnetic layers. The effect manifests itself as a significant decrease (typically 10-80%) in electrical resistance in the presence of a magnetic field. The effect is exploited commercially by manufacturers of hard disk drives. The 2007 Nobel Prize in physics was awarded to Albert Fert and Peter Grunberg for the discovery of GMR.

preprint2014arXiv

Beam Dump Window Design for CSNS

Beam dump window is one of the most important parts of beam dump of China Spallation Neutron Source(CSNS). The material, structure and other concerned issue have been discussed in this paper. Thermal analyses have been applied for the beam dump window design. By comparison, GlidcopAL-15 and 316L have been chosen as window material. The window section has been designed as inner convex spherical surface and the window thickness has been set 1.5mm to 3mm by structure optimization. The window safety has been confirmed under the damage of magnet. All these analyses proved that the window can meet the requirements of CSNS beam dump well.

preprint2014arXiv

Direct tunneling through high-$κ$ amorphous HfO$_2$: effects of chemical modification

We report first principles modeling of quantum tunneling through amorphous HfO$_2$ dielectric layer of metal-oxide-semiconductor (MOS) nanostructures in the form of n-Si/HfO$_2$/Al. In particular we predict that chemically modifying the amorphous HfO$_2$ barrier by doping N and Al atoms in the middle region - far from the two interfaces of the MOS structure, can reduce the gate-to-channel tunnel leakage by more than one order of magnitude. Several other types of modification are found to enhance tunneling or induce substantial band bending in the Si, both are not desired from leakage point of view. By analyzing transmission coefficients and projected density of states, the microscopic physics of electron traversing the tunnel barrier with or without impurity atoms in the high-$κ$ dielectric is revealed.

preprint2014arXiv

Preimage entropy dimension of topological dynamical systems

We propose a new definition of preimage entropy dimension for continuous maps on compact metric spaces, investigate fundamental properties of the preimage entropy dimension, and compare the preimage entropy dimension with the topological entropy dimension. The defined preimage entropy dimension holds various basic properties of topological entropy dimension, for example, the preimage entropy dimension of a subsystem is bounded by that of the original system and topologically conjugated systems have the same preimage entropy dimension. Also, we discuss the relation between the preimage entropy dimension and the preimage entropy.

preprint2014arXiv

Topological pressure dimension for almost additive potentials

This paper is devoted to the study of the topological pressure dimension for almost additive sequences, which is an extension of topological entropy dimension. We investigate fundamental properties of the topological pressure dimension for almost additive sequences. In particular, we study the relationships among different types of topological pressure dimension and identifies an inequality relating them. Also, we show that the topological pressure dimension is always equal to or greater than 1 for certain special almost additive sequence.

preprint2013arXiv

A generic tight-binding model for monolayer, bilayer and bulk MoS2

Molybdenum disulfide (MoS2) is a layered semiconductor which has become very important recently as an emerging electronic device material. Being an intrinsic semiconductor the two-dimensional MoS2 has major advantages as the channel material in field-effect transistors. In this work we determine the electronic structure of MoS2 with the highly accurate screened hybrid functional within the density functional theory (DFT) including the spin-orbit coupling. Using the DFT electronic structures as target, we have developed a single generic tight-binding (TB) model that accurately produces the electronic structures for three different forms of MoS2 - bulk, bilayer and monolayer. Our TB model is based on the Slater-Koster method with non-orthogonal sp3d5 orbitals, nearest-neighbor interactions and spin-orbit coupling. The TB model is useful for atomistic modeling of quantum transport in MoS2 based electronic devices.

preprint2013arXiv

A New Class of Electrically Tunable Metamaterial Terahertz Modulators

Switchable metamaterials offer unique solutions for efficiently manipulating electromagnetic waves, particularly for terahertz waves, which has been difficult since naturally occurring materials rarely respond to terahertz frequencies controllably. However, few terahertz modulators demonstrated to date exhibit simultaneously low attenuation and high modulation depth. In this letter we propose a new class of electrically-tunable terahertz metamaterial modulators employing metallic frequency-selective-surfaces (FSS) in conjunction with capacitively-tunable layers of electrons, promising near 100% modulation depth and < 15% attenuation. The fundamental departure in our design from the prior art is tuning enabled by self-gated electron layers that is independent from the metallic FSS. Our proposal is applicable to all possible electrically tunable elements including graphene, Si, MoS2, oxides etc, thus opening up myriad opportunities for realizing high performance switchable metamaterials over an ultra-wide terahertz frequency range.

preprint2013arXiv

A Qualitative Representation and Similarity Measurement Method in Geographic Information Retrieval

The modern geographic information retrieval technology is based on quantitative models and methods. The semantic information in web documents and queries cannot be effectively represented, leading to information lost or misunderstanding so that the results are either unreliable or inconsistent. A new qualitative approach is thus proposed for supporting geographic information retrieval based on qualitative representation, semantic matching, and qualitative reasoning. A qualitative representation model and the corresponding similarity measurement method are defined. Information in documents and user queries are represented using propositional logic, which considers the thematic and geographic semantics synthetically. Thematic information is represented as thematic propositions on the base of domain ontology. Similarly, spatial information is represented as geo-spatial propositions with the support of geographic knowledge base. Then the similarity is divided into thematic similarity and spatial similarity. The former is calculated by the weighted distance of proposition keywords in the domain ontology, and the latter similarity is further divided into conceptual similarity and spatial similarity. Represented by propositions and information units, the similarity measurement can take evidence theory and fuzzy logic to combine all sub similarities to get the final similarity between documents and queries. This novel retrieval method is mainly used to retrieve the qualitative geographic information to support the semantic matching and results ranking. It does not deal with geometric computation and is consistent with human commonsense cognition, and thus can improve the efficiency of geographic information retrieval technology.

preprint2013arXiv

Band offset of GaAs/AlxGa1-xAs heterojunctions from atomistic first principles

Using an atomistic first principles approach, we investigate the band offset of the GaAs/AlxGa1-xAs heterojunctions for the entire range of the Al doping concentration 0<x<=1. We apply the coherent potential approach to handle the configuration average of Al doping and a recently proposed semi-local exchange potential to accurately determine the band gaps of the materials. The calculated band structures of the GaAs, AlAs crystals and band gaps of the GaAs/AlxGa1-xAs alloys, are in very good agreement with the experimental results. We predict that valence band offset of the GaAs/AlxGa1-xAs heterojunction scales with the Al concentration x in a linear fashion as VBO(x)~0.587 x, and the conduction band offset scales with x in a nonlinear fashion. Quantitative comparisons to the corresponding experimental data are made.

preprint2013arXiv

Coded-aperture imaging using photo-induced reconfigurable aperture arrays for mapping terahertz beams

We report terahertz coded-aperture imaging using photo-induced reconfigurable aperture arrays on a silicon wafer. The coded aperture was implemented using programmable illumination from a commercially available digital light processing projector. At 590 GHz, each of the array element apertures can be optically turned on and off with a modulation depth of 20 dB and a modulation rate of ~1.3 KHz. Prototype demonstrations of 4 by 4 coded-aperture imaging using Hadamard coding have been performed and this technique has been successfully applied to mapping THz beams by using a 6 by 6 aperture array at 590 GHz. The imaging results agree closely with theoretical calculations based on Gaussian beam transformation, demonstrating that this technique is promising for realizing real-time and low-cost terahertz cameras for many applications. The reported approach provides a simple but powerful means to visualize THz beams, which is highly desired in quasi-optical system alignment, quantum-cascade laser design and characterization, and THz antenna characterization.

preprint2013arXiv

Electric control of spin in monolayer WSe2 field effect transistors

We report a first principles theoretical investigation of quantum transport in monolayer WSe2 field effect transistor (FET). Due to a strong spin-orbit interaction (SOI) and the atomic structure of the two-dimensional (2D) lattice, monolayer WSe2 has an interesting electronic structure that exhibits Zeeman-like up-down spin texture near the K and K' points of the Brillouin zone. In a FET, the gate electric field induces an extra, externally tunable SOI that re-orients the spins into a Rashba-like texture thereby realizing electric control of the spin. Quantum transport is modulated by the spin texture, namely by if the spin orientation of the carrier after the gated channel region, matches or miss-matches that of the FET drain electrode. The carrier current in the FET is labelled both the spin index and the valley index, realizing spintronics and valleytronics in the same device.

preprint2013arXiv

Electronic structures of III-V zinc-blende semiconductors from atomistic first principles

For analyzing quantum transport in semiconductor devices, accurate electronic structures are critical for quantitative predictions. Here we report theoretical analysis of electronic structures of all III-V zinc-blende semiconductor compounds. Our calculations are from density functional theory with the semi-local exchange proposed recently [F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009)], within the linear muffin tin orbital scheme. The calculated band gaps and effective masses are compared to experimental data and good quantitative agreement is obtained. Using the theoretical scheme presented here, quantum transport in nanostructures of III-V compounds can be confidently predicted.

preprint2013arXiv

Nonequilibrium Green's function theory for predicting device-to-device variability

Due to random dopant fluctuations, the device-to-device variability is a serious challenge to emerging nanoelectronics. In this work we present theoretical formalisms and numerical simulations of quantum transport variability, based on the nonequilibrium Green's functions and the multiple scattering theory. We have developed a general formalism using the diagrammatic technique within the coherent potential approximation (CPA) that can be applied to a wide range of disorder concentrations. In addition, we have developed a method by using a perturbative expansion within the low concentration approximation (LCA) that is extremely useful for typical nanoelectronic devices having low dopant concentration. Applying both formalisms, transport fluctuations due to random impurities can be predicted without lengthy brute force computation of ensemble of devices structures. Numerical implementations of the formalisms are demonstrated using both tight-binding models and first principles models.

preprint2013arXiv

Quantum Transport Theory with the Nonequilibrium Coherent Potentials

Since any realistic electronic device has some degree of disorder, predicting disorder effects in quantum transport is a critical problem. Here we report the theory of nonequilibrium coherent potential approximation (NECPA) for analyzing disorder effects in nonequilibrium quantum transport of nanoelectronic devices. The NECPA is formulated by contour ordered nonequilibrium Green's function (NEGF) where the disorder average is carried out within the coherent potential approximation on the complex-time contour. We have derived a set of new rules that supplement the celebrated Langreth theorem and, as a whole, the generalized Langreth rules allow us to derive NECPA equations for real time Green's functions. The solution of NECPA equations provide the disorder averaged nonequilibrium density matrix as well as other relevant quantities for quantum transport calculations. We establish the excellent accuracy of NECPA by comparing its results to brute force numerical calculations of disordered tight-binding models. Moreover, the connection of NECPA equations which are derived on the complex-time contour, to the nonequilibrium vertex correction theory which is derived on the real-time axis, is made. As an application, we demonstrate that NECPA can be combined with density functional theory to enable analysis of nanoelectronic device physics from atomistic first principles.

preprint2013arXiv

Self-Organized Cooperative Criticality in Coupled Complex Systems

We show that the coupled complex systems can evolve into a new kind of self-organized critical state where each subsystem is not critical, however, they cooperate to be critical. This criticality is different from the classical BTW criticality where the single system itself evolves into a critical state. We also find that the outflows can be accumulated in the coupled systems. This will lead to the emergency of spatiotemporal intermittency in the critical state.

preprint2012arXiv

A New P2N Approach to Software Development Under the Clustering

In this computer era of rapid development, software development can be seen everywhere, but a lot of softwares are dead in modern development of software. Just as The Mythical Man-Month said, it exists a problem in the software development, and the problem is interflow.A lock of interflow can be said great calamity. Clustering is a environment to breed new life. In this thesis, we elaborate how P2N can be used to thinking, planning, developing, collaborating, releasing. And the approach that make your team and organization more perfect.

preprint2012arXiv

An Adaptive XP-based approach to Agile Development

Software design is gradually becoming open, distributed, pervasive, and connected. It is a sad statistical fact that software projects are scientifically fragile and tend to fail more than other engineering fields. Agile development is a philosophy. And agile methods are processes that support the agile philosophy. XP places a strong emphasis on technical practices in addition to the more common teamwork and structural practices. In this paper, we elaborate how XP practices can be used to thinking, collaborating, releasing, planning, developing. And the state that make your team and organization more successful.

preprint2012arXiv

An Empirical Investigation of Scaling Behavior in the Atmospheric Turbulence for Understanding the Underlying Cascade Process

We study the scaling behaviors in the wind velocity time series collected at the atmospheric surface layer and compare them with two commonly used cascade models, the truncated stable distribution and the log-normal model. Results show that although both models can describe the change of probability density functions from non-Gaussian to Gaussian like distributions with the increase of time scale, they can not fit the scaling behaviors observed in the probability of return and in the moments at the same time. This work provides some clues on the understanding of cascade process in the atmospheric turbulence.

preprint2012arXiv

Efficient terahertz electro-absorption modulation employing graphene plasmonic structures

We propose and discuss terahertz electro-absorption modulators based on graphene plasmonic structures. The active device consists of a self-gated pair of graphene layers, which are patterned to structures supporting THz plasmonic resonances. These structures allow for efficient control of the effective THz optical conductivity, thus absorption, even at frequencies much higher than the Drude roll-off in graphene where most previously proposed graphene-based devices become inefficient. Our analysis shows that reflectance-based device configurations, engineered so that the electric field is enhanced in the active graphene pair, could achieve very high modulation-depth, even ~100%, at any frequency up to tens of THz.

preprint2012arXiv

Hybrid Parallel Bidirectional Sieve based on SMP Cluster

In this article, hybrid parallel bidirectional sieve method is implemented by SMP Cluster, the individual computational units joined together by the communication network, are usually shared-memory systems with one or more multicore processor. To high-efficiency optimization, we propose average divide data into nodes, generating double-ended queues (deque) for sieve method that are able to exploit dual-cores simultaneously start sifting out primes from the head and tail.And each node create a FIFO queue as dynamic data buffer to ache temporary data from another nodes send to. The approach obtains huge speedup and efficiency on SMP Cluster.

preprint2011arXiv

Unique prospects of graphene-based THz modulators

The modulation depth of 2-D electron gas (2DEG) based THz modulators using AlGaAs/GaAs heterostructures with metal gates is inherently limited to < 30%. The metal gate not only attenuates the THz signal (> 90%) but also severely degrades the modulation depth. The metal losses can be significantly reduced with an alternative material with tunable conductivity. Graphene presents a unique solution to this problem due to its symmetric band structure and extraordinarily high mobility of holes that is comparable to electron mobility in conventional semiconductors. The hole conductivity in graphene can be electrostatically tuned in the graphene-2DEG parallel capacitor configuration, thus more efficiently tuning the THz transmission. In this work, we show that it is possible to achieve a modulation depth of > 90% while simultaneously minimizing signal attenuation to < 5% by tuning the Fermi level at the Dirac point in graphene.

preprint2010arXiv

Electronic Structure and Structural Evolutions of Hydrogenated Graphene Probed by Raman Spectroscopy

The electronic structure and structural evolution of hydrogenated graphene are investigated by Raman spectroscopy with multiple excitations. The excitation energy dependent saturation effect on the ratio of integrated intensities of D and G modes (ID/IG) is revealed and further developed as a quick method for estimation of inter-defect distance and defect density in hydrogenated graphene. At low hydrogen coverage, the chemisorbed H atoms behave like defects in sp2 C=C matrix; while for a high hydrogen coverage, the sp3 C-H bonds become coalescent clusters, resulting in confinement effect on the sp2 C domains. Electronic structure changes caused by varying hydrogen coverage are evidenced by excitation energy dependent red shift of D and 2D bands. Our results provide a useful guide for developing applications of hydrogenated graphene, as well as using Raman spectroscopy as quick metrology of the defect density in further exploring other kinds of graphene derivatives.

preprint2010arXiv

FeCl3 based Few-Layer Graphene Intercalation Compounds: Single Linear Dispersion Electronic Band Structure and Strong Charge Transfer Doping

Graphene has attracted great attentions since its first discovery in 2004. Various approaches have been proposed to control its physical and electronic properties. Here, we report that graphene based intercalation compounds is an efficient method to modify the electronic properties of few layer graphene (FLG). FeCl3 intercalated FLG were successfully prepared by two-zone vapor transport method. This is the first report on full intercalation for graphene samples. The features of the Raman G peak of such few-layer graphene intercalation compounds (FLGIC) are in good agreement with their full intercalation structures. The FLGIC presents single Lorentzian 2D peak, similar to that of single layer graphene, indicating the loss of electronic coupling between adjacent graphene layers. First principle calculations further reveal that the band structure of FLGIC is similar to single layer graphene but with strong doping effect due to the charge transfer from graphene to FeCl3. The successful fabrication of FLGIC opens a new way to modify properties of FLG for fundamental studies and future applications.

preprint2010arXiv

Large Scale Synthesis of Bi-layer Graphene in Strongly Coupled Stacking Order

Large scale synthesis of single layer graphene (SLG) by chemical vapor deposition (CVD) has received a lot of attention recently. However, CVD synthesis of AB stacked bi-layer graphene (BLG) is still a challenging work. Here we report synthesis of BLG homogeneously in large area by thermal CVD. The 2D Raman band of CVD BLG splits into four components, suggesting splitting of electronic bands due to strong interlayer coupling. The splitting of electronic bands in CVD BLG is further evidenced by the study of near infrared (NIR) absorption and carrier dynamics probed by transient absorption spectroscopy. Ultraviolet photoelectron spectroscopy invesigation also indiates CVD BLG possesses different electronic structures from those of CVD SLG. The growth mechanism of BLG is found to be related to catalystic activity of copper (Cu)surface, which is determined by purity of Cu foils employed in CVD process. Our work showsthat strongly coupled or even AB stacked BLG can be grown on Cu foils in large scale, which isof particular importance for device applications based on their split electronic bands

preprint2010arXiv

Stacking Dependent Optical Conductivity of Bilayer Graphene

The optical conductivities of graphene layers are strongly dependent on their stacking orders. Our first-principle calculations show that while the optical conductivities of single layer graphene (SLG) and bilayer graphene (BLG) with Bernal stacking are almost frequency independent in the visible region, the optical conductivity of twisted bilayer graphene (TBG) is frequency dependent, giving rise to additional absorption features due to the band folding effect. Experimentally, we obtain from contrast spectra the optical conductivity profiles of BLG with different stacking geometries. Some TBG samples show additional features in their conductivity spectra in full agreement with our calculation results, while a few samples give universal conductivity values similar to that of SLG. We propose those variations of optical conductivity spectra of TBG samples originate from the difference between the commensurate and incommensurate stackings. Our results reveal that the optical conductivity measurements of graphene layers indeed provide an efficient way to select graphene films with desirable electronic and optical properties, which would great help the future application of those large scale misoriented graphene films in photonic devices.

preprint2010arXiv

The Stellar Mass Components of Galaxies: Comparing Semi-Analytical Models with Observation

We compare the stellar masses of central and satellite galaxies predicted by three independent semianalytical models with observational results obtained from a large galaxy group catalogue constructed from the Sloan Digital Sky Survey. In particular, we compare the stellar mass functions of centrals and satellites, the relation between total stellar mass and halo mass, and the conditional stellar mass functions, which specify the average number of galaxies of stellar mass M_* that reside in a halo of mass M_h. The semi-analytical models only predict the correct stellar masses of central galaxies within a limited mass range and all models fail to reproduce the sharp decline of stellar mass with decreasing halo mass observed at the low mass end. In addition, all models over-predict the number of satellite galaxies by roughly a factor of two. The predicted stellar mass in satellite galaxies can be made to match the data by assuming that a significant fraction of satellite galaxies are tidally stripped and disrupted, giving rise to a population of intra-cluster stars in their host halos. However, the amount of intra-cluster stars thus predicted is too large compared to observation. This suggests that current galaxy formation models still have serious problems in modeling star formation in low-mass halos.

preprint2010arXiv

Thermal Dynamics of Graphene Edges Investigated by Polarized Raman Spectroscopy

In this report, we present Raman spectroscopy investigation of the thermal stability and dynamics of graphene edges. It was found that graphene edges (both armchair and zigzag) are not stable and undergo modifications even at temperature as low as 200°C. Based on polarized Raman results, we provide possible structural models on how graphene edges change during annealing. The zigzag edges rearrange and form armchair segments that are \pm30° relative to the edge direction, while armchair edges are dominated by armchair segments even at annealing temperature as high as 500°C. The modifications of edge structures by thermal annealing (zigzag segments rearrange in form of armchair segments) provide a flexible way to control the electronic properties of graphene and graphene nanostructures.

preprint2010arXiv

Ultrafast carrier dynamics in pristine and FeCl3-intercalated bilayer graphene

Ultrafast carrier dynamics of pristine bilayer graphene (BLG) and bilayer graphene intercalated with FeCl3 (FeCl3-G), were studied using time-resolved transient differential reflection (delta R/R). Compared to BLG, the FeCl3-G data showed an opposite sign of delta R/R, a slower rise time, and a single (instead of double) exponential relaxation. We attribute these differences in dynamics to the down-shifting of the Fermi level in FeCl3-G, as well as the formation of numerous horizontal bands arising from the d-orbitals of Fe. Our work shows that intercalation can dramatically change the electronic structure of graphene, and its associated carrier dynamics.

preprint2009arXiv

G band Raman double resonance in twisted bilayer graphene: an evidence of band splitting and folding

The stacking faults (deviates from Bernal) will break the translational symmetry of multilayer graphenes and modify their electronic and optical behaviors to the extent depending on the interlayer coupling strength. This paper addresses the stacking-induced band splitting and folding effect on the electronic band structure of twisted bilayer graphene. Based on the first-principles density functional theory study, we predict that the band folding effect of graphene layers may enable the G band Raman double resonance in the visible excitation range. Such prediction is confirmed experimentally with our Raman observation that the resonant energies of the resonant G mode are strongly dependent on the stacking geometry of graphene layers.

preprint2007arXiv

Improved Simulation of the Mass Charging for ASTROD I

The electrostatic charging of the test mass in ASTROD I (Astrodynamical Space Test of Relativity using Optical Devices I) mission can affect the quality of the science data as a result of spurious Coulomb and Lorentz forces. To estimate the size of the resultant disturbances, credible predictions of charging rates and the charging noise are required. Using the GEANT4 software toolkit, we present a detailed Monte Carlo simulation of the ASTROD I test mass charging due to exposure of the spacecraft to galactic cosmic-ray (GCR) protons and alpha particles (3He, 4He) in the space environment. A positive charging rate of 33.3 e+/s at solar minimum is obtained. This figure reduces by 50% at solar maximum. Based on this charging rate and factoring in the contribution of minor cosmic-ray components, we calculate the acceleration noise and stiffness associated with charging. We conclude that the acceleration noise arising from Coulomb and Lorentz effects are well below the ASTROD I acceleration noise limit at 0.1 mHz both at solar minimum and maximum. The coherent Fourier components due to charging are investigated, it needs to be studied carefully in order to ensure that these do not compromise the quality of science data in the ASTROD I mission.

preprint2005arXiv

Gated Spin Transport through an Individual Single Wall Carbon Nanotube

Hysteretic switching in the magnetoresistance of short-channel, ferromagnetically contacted individual single wall carbon nanotubes is observed, providing strong evidence for nanotube spin transport. By varying the voltage on a capacitively coupled gate, the magnetoresistance can be reproducibly modified between +10% and -15%. The results are explained in terms of wave vector matching of the spin polarized electron states at the ferromagnetic / nanotube interfaces.