Searcharxiv⌕ Search

arXiv subjects

Qiang Zhu

Publications and source records attributed to Qiang Zhu.

At least 73 records · Page 4Linked to original sources

Inferring ECG from PPG for Continuous Cardiac Monitoring Using Lightweight Neural Network

This paper presents a computational solution that enables continuous cardiac monitoring through cross-modality inference of electrocardiogram (ECG). While some smartwatches now allow users to obtain a 30-second ECG test by tapping a built-in bio-sensor, these short-term ECG tests often miss intermittent and asymptomatic abnormalities of cardiac functions. It is also infeasible to expect persistently active user participation for long-term continuous cardiac monitoring in order to capture these and other types of cardiac abnormalities. To alleviate the need for continuous user attention and active participation, we design a lightweight neural network that infers ECG from the photoplethysmogram (PPG) signal sensed at the skin surface by a wearable optical sensor. We also develop a diagnosis-oriented training strategy to enable the neural network to capture the pathological features of ECG, aiming to increase the utility of reconstructed ECG signals for screening cardiovascular diseases (CVDs). We also leverage model interpretation to obtain insights from data-driven models, for example, to reveal some associations between CVDs and ECG/PPG and to demonstrate how the neural network copes with motion artifacts in the ambulatory application. The experimental results on three datasets demonstrate the feasibility of inferring ECG from PPG, achieving a high fidelity of ECG reconstruction with only about 40K parameters.

eess.SP↗

Probablistic Restoration with Adaptive Noise Sampling for 3D Human Pose Estimation

The accuracy and robustness of 3D human pose estimation (HPE) are limited by 2D pose detection errors and 2D to 3D ill-posed challenges, which have drawn great attention to Multi-Hypothesis HPE research. Most existing MH-HPE methods are based on generative models, which are computationally expensive and difficult to train. In this study, we propose a Probabilistic Restoration 3D Human Pose Estimation framework (PRPose) that can be integrated with any lightweight single-hypothesis model. Specifically, PRPose employs a weakly supervised approach to fit the hidden probability distribution of the 2D-to-3D lifting process in the Single-Hypothesis HPE model and then reverse-map the distribution to the 2D pose input through an adaptive noise sampling strategy to generate reasonable multi-hypothesis samples effectively. Extensive experiments on 3D HPE benchmarks (Human3.6M and MPI-INF-3DHP) highlight the effectiveness and efficiency of PRPose. Code is available at: https://github.com/xzhouzeng/PRPose.

cs.CV↗

Study of Entropy-Driven Polymorphic Stability for Aspirin Using Accurate Neural Network Interatomic Potential

In this study, we present a systematic computational investigation to analyze the long debated crystal stability of two well known aspirin polymorphs, labeled as Form I and Form II. Specifically, we developed a strategy to collect training configurations covering diverse interatomic interactions between representative functional groups in the aspirin crystals. Utilizing a state-of-the-art neural network interatomic potential (NNIP) model, we developed an accurate machine learning potential to simulate aspirin crystal dynamics under finite temperature conditions with $\sim$0.46 kJ/mol/molecule accuracy. Employing the trained NNIP model, we performed thermodynamic integration to assess the free energy difference between aspirin Forms I and II, accounting for the anharmonic effects in a large supercell consisting of 512 molecules. For the first time, our results convincingly demonstrated that Form I is more stable than Form II at 300 K, ranging from 0.74 to 1.83 kJ/mol/molecule, aligning with the experimental observations. Unlike the majority of previous simulations based on (quasi)harmonic approximations in a small super cell, which often found the degenerate energies between aspirin I and II, our findings underscore the importance of anharmonic effects in determining polymorphic stability ranking. Furthermore, we proposed the use of rotational degrees of freedom of methyl and ester/phenyl groups in the aspirin crystal, as characteristic motions to highlight rotational entropic contribution that favors the stability of Form I. Beyond the aspirin polymorphism, we anticipate that such entropy-driven stabilization can be broadly applicable to many other organic systems and thus our approach, suggesting our approach holds a great promise for stability studies in small molecule drug design.

cond-mat.mtrl-sci↗

Giant third-order nonlinear Hall effect in misfit layer compound (SnS)${1.17}$(NbS$_2$)$_3$

Nonlinear Hall effect (NLHE) holds immense significance in recognizing the band geometry and its potential applications in current rectification. Recent discoveries have expanded the study from second-order to third-order nonlinear Hall effect (THE), which is governed by an intrinsic band geometric quantity called the Berry Connection Polarizability (BCP) tensor. Here we demonstrate a giant THE in a misfit layer compound, (SnS)${1.17}$(NbS$_2$)$_3$. While the THE is prohibited in individual NbS$_2$ and SnS due to the constraints imposed by the crystal symmetry and their band structures, a remarkable THE emerges when a superlattice is formed by introducing a monolayer of SnS. The angular-dependent THE and its scaling relationship indicate that the phenomenon could be correlated to the band geometry modulation, concurrently with the symmetry breaking. The resulting strength of THE is orders of magnitude higher compared to recent studies. Our work illuminates the modulation of structural and electronic geometries for novel quantum phenomena through interface engineering.

cond-mat.mes-hall↗

Zr-Co-Al bulk metallic glass composites containing B2 ZrCo via rapid quenching and annealing

As a promising remedy for overcoming the limited ductility and work softening of bulk metallic glasses (BMGs), BMG composites incorporating a B2 crystalline phase have attracted considerable attention. Here, we explore the formation of Zr-Co-Al BMG composites by quenching alloys Zr$_{55}$Co$_{31}$Al$_{14}$, Zr$_{54.5}$Co$_{33.5}$Al$_{12}$, Zr$_{53.5}$Co$_{36.5}$Al$_{10}$, Zr$_{52.5}$Co$_{37.5}$Al$_{10}$, and Zr$_{43}$Co$_{43}$Al$_{14}$. We found the first alloy fully amorphous whereas the fifth was fully crystallized upon quenching. The other three were quenched to generate composite structures, with a higher fraction of B2 ZrCo phase with increasing Co/Zr ratio and decreasing Al content. For comparison, the formation of B2 ZrCo in annealed Zr$_{55}$Co$_{31}$Al$_{14}$ was also studied. For both approaches the influence of crystalline phases on hardness was examined.

cond-mat.mtrl-sci↗

Multifunctional magnetic oxide-MoS$_2$ heterostructures on silicon

Correlated oxides and related heterostructures are intriguing for developing future multifunctional devices by exploiting their exotic properties, but their integration with other materials, especially on Si-based platforms, is challenging. Here, van der Waals heterostructures of La$_{0.7}$Sr$_{0.3}$MnO$_3$ (LSMO), a correlated manganite perovskite, and MoS$_2$ are demonstrated on Si substrates with multiple functions. To overcome the problems due to the incompatible growth process, technologies involving freestanding LSMO membranes and van der Waals force-mediated transfer are used to fabricate the LSMO-MoS$_2$ heterostructures. The LSMO-MoS$_2$ heterostructures exhibit a gate-tunable rectifying behavior, based on which metal-semiconductor field-effect transistors (MESFETs) with on-off ratios of over 104 can be achieved. The LSMO-MoS$_2$ heterostructures can function as photodiodes displaying considerable open-circuit voltages and photocurrents. In addition, the colossal magnetoresistance of LSMO endows the LSMO-MoS$_2$ heterostructures with an electrically tunable magnetoresponse at room temperature. This work not only proves the applicability of the LSMO-MoS$_2$ heterostructure devices on Si-based platform but also demonstrates a paradigm to create multifunctional heterostructures from materials with disparate properties.

cond-mat.str-el↗

Competition of electronic correlation and reconstruction in La1-xSrxTiO3/SrTiO3 heterostructures

Electronic correlation and reconstruction are two important factors that play a critical role in shaping the magnetic and electronic properties of correlated low-dimensional systems. Here, we report a competition between the electronic correlation and structural reconstruction in La1-xSrxTiO3/SrTiO3 heterostructures by modulating material polarity and interfacial strain, respectively. The heterostructures exhibit a critical thickness (tc) at which a metal-to-insulator transition (MIT) abruptly occurs at certain thickness, accompanied by the coexistence of two- and three-dimensional (2D and 3D) carriers. Intriguingly, the tc exhibits a V-shaped dependence on the doping concentration of Sr, with the smallest tc value at x = 0.5. We attribute this V-shaped dependence to the competition between the electronic reconstruction (modulated by the polarity) and the electronic correlation (modulated by strain), which are borne out by the experimental results, including strain-dependent electronic properties and the evolution of 2D and 3D carriers. Our findings underscore the significance of the interplay between electronic reconstruction and correlation in the realization and utilization of emergent electronic functionalities in low-dimensional correlated systems.

cond-mat.str-el↗

Bending Deformation Driven by Molecular Rotation

In recent years, certain molecular crystals have been reported to possess surprising flexibility by undergoing significant elastic or plastic deformation in response to mechanical loads. However, despite this experimental evidence, there currently exists no atomistic mechanism to explain the physical origin of this phenomenon from numerical simulations. In this study, we investigate the mechanical behavior of three naphthalene diimide derivatives, which serve as representative examples, using direct molecular dynamics simulations. Our simulation trajectory analysis suggests that molecular rotational freedom is the key factor in determining a crystal's mechanical response, ranging from brittle fracture to elastic or plastic deformation under mechanical bending. Additionally, we propose a rotation-dependent potential energy surface as a means to classify organic materials' mechanical responses and identify new candidates for future investigation.

cond-mat.mtrl-sci↗

Reply to: Mobility overestimation in MoS$_2$ transistors due to invasive voltage probes

In this reply, we include new experimental results and verify that the observed non-linearity in rippled-MoS$_2$ (leading to mobility kink) is an intrinsic property of a disordered system, rather than contact effects (invasive probes) or other device issues. Noting that Peng Wu's hypothesis is based on a highly ordered ideal system, transfer curves are expected to be linear, and the carrier density is assumed be constant. Wu's model is therefore oversimplified for disordered systems and neglects carrier-density dependent scattering physics. Thus, it is fundamentally incompatible with our rippled-MoS$_2$, and leads to the wrong conclusion.

cond-mat.mtrl-sci↗

Two-dimensional layered materials meet perovskite oxides: A combination for high-performance electronic devices

As the Si-based transistors scale down to atomic dimensions, the basic principle of current electronics, which heavily relies on the tunable charge degree of freedom, faces increasing challenges to meet the future requirements of speed, switching energy, heat dissipation, packing density as well as functionalities. Heterogeneous integration, where dissimilar layers of materials and functionalities are unrestrictedly stacked at an atomic scale, is appealing to next-generation electronics, such as multi-functional, neuromorphic, spintronic and ultra-low power devices, because it unlocks technologically useful interfaces of distinct functionalities. Recently, the combination of functional perovskite oxides and the two-dimensional layered materials (2DLMs) led to unexpected functionalities and enhanced device performance. In this review, we review the recent progress of the heterogeneous integration of perovskite oxides and 2DLMs from the perspectives of fabrication and interfacial properties, electronic applications, challenges as well as outlooks. In particular, we focus on three types of attractive applications, namely field-effect transistors, memory, and neuromorphic electronics. The van der Waals integration approach is extendible to other oxides and 2DLMs, leading to almost unlimited combinations of oxides and 2DLMs and contributing to future high-performance electronic and spintronic devices.

cond-mat.mtrl-sci↗

Prediction method of cigarette draw resistance based on correlation analysis

The cigarette draw resistance monitoring method is incomplete and single, and the lacks correlation analysis and preventive modeling, resulting in substandard cigarettes in the market. To address this problem without increasing the hardware cost, in this paper, multi-indicator correlation analysis is used to predict cigarette draw resistance. First, the monitoring process of draw resistance is analyzed based on the existing quality control framework, and optimization ideas are proposed. In addition, for the three production units, the cut tobacco supply (VE), the tobacco rolling (SE), and the cigarette-forming (MAX), direct and potential factors associated with draw resistance are explored, based on the linear and non-linear correlation analysis. Then, the correlates of draw resistance are used as inputs for the machine learning model, and the predicted values of draw resistance are used as outputs. Finally, this research also innovatively verifies the practical application value of draw resistance prediction: the distribution characteristics of substandard cigarettes are analyzed based on the prediction results, the time interval of substandard cigarettes being produced is determined, the probability model of substandard cigarettes being sampled is derived, and the reliability of the prediction result is further verified by the example. The results show that the prediction model based on correlation analysis has good performance in three months of actual production.

stat.AP↗

Artificial Intelligence System for Detection and Screening of Cardiac Abnormalities using Electrocardiogram Images

The artificial intelligence (AI) system has achieved expert-level performance in electrocardiogram (ECG) signal analysis. However, in underdeveloped countries or regions where the healthcare information system is imperfect, only paper ECGs can be provided. Analysis of real-world ECG images (photos or scans of paper ECGs) remains challenging due to complex environments or interference. In this study, we present an AI system developed to detect and screen cardiac abnormalities (CAs) from real-world ECG images. The system was evaluated on a large dataset of 52,357 patients from multiple regions and populations across the world. On the detection task, the AI system obtained area under the receiver operating curve (AUC) of 0.996 (hold-out test), 0.994 (external test 1), 0.984 (external test 2), and 0.979 (external test 3), respectively. Meanwhile, the detection results of AI system showed a strong correlation with the diagnosis of cardiologists (cardiologist 1 (R=0.794, p<1e-3), cardiologist 2 (R=0.812, p<1e-3)). On the screening task, the AI system achieved AUCs of 0.894 (hold-out test) and 0.850 (external test). The screening performance of the AI system was better than that of the cardiologists (AI system (0.846) vs. cardiologist 1 (0.520) vs. cardiologist 2 (0.480)). Our study demonstrates the feasibility of an accurate, objective, easy-to-use, fast, and low-cost AI system for CA detection and screening. The system has the potential to be used by healthcare professionals, caregivers, and general users to assess CAs based on real-world ECG images.

cs.CV↗

First-principles Investigation of Electrides Derived from Sodalites

Recently, the electride materials, with excess anionic electrons confined in their empty space, have received a growing attention due to their promising applications in catalysis, nonlinear optics and spin-electronics. However, the utilization of electride materials is limited by their thermal instability. Here we introduce an alternative way to achieve the localized anionic electron states via the removal of high symmetric Wyckoff sites of anions from the existing sodalite compounds. Using four halide sodalites as the parental structures, our simulation reveals that the materials after the removal of anionic halide sites exhibit typical electride behaviors that are characterized by the existence of localized electronic states near the Fermi level. Compared to most previously studied electrides, these materials are expected to be more thermally stable due to the complex structural framework and thus promising for practical applications. Among them, Na$_4$(AlSiO$_4$)$_3$ manifests magnetic electronic structure. We demonstrate that this magnetism originates from a highly localized excess electron state surrounded by electronpositive alkaline cations. Our results suggest Na$_4$(AlSiO$_4$)$_3$ could be a promising spintronics component, thus encouraging further experimental study.

cond-mat.mtrl-sci↗

Breakdown of the scaling relation of anomalous Hall effect in Kondo lattice ferromagnet USbTe

The interaction between strong correlation and Berry curvature is an open territory of in the field of quantum materials. Here we report large anomalous Hall conductivity in a Kondo lattice ferromagnet USbTe which is dominated by intrinsic Berry curvature at low temperatures. However, the Berry curvature induced anomalous Hall effect does not follow the scaling relation derived from Fermi liquid theory. The onset of the Berry curvature contribution coincides with the Kondo coherent temperature. Combined with ARPES measurement and DMFT calculations, this strongly indicates that Berry curvature is hosted by the flat bands induced by Kondo hybridization at the Fermi level. Our results demonstrate that the Kondo coherence of the flat bands has a dramatic influence on the low temperature physical properties associated with the Berry curvature, calling for new theories of scaling relations of anomalous Hall effect to account for the interaction between strong correlation and Berry curvature.

cond-mat.str-el↗

Phase diagram of superconducting vortex ratchet motion in a superlattice with noncentrosymmetry

Ratchet motion of superconducting vortices, which is a directional flow of vortices in superconductors, is highly useful for exploring quantum phenomena and developing superconducting devices, such as superconducting diode and microwave antenna. However, because of the challenges in the quantitative characterization of the dynamic motion of vortices, a phase diagram of the vortex ratchet motion is still missing, especially in the superconductors with low dimensional structures. Here we establish a quantitative phase diagram of the vortex ratchet motion in a highly anisotropic superlattice superconductor, (SnS)1.17NbS2, using nonreciprocal magnetotransport. The (SnS)1.17NbS2, which possesses a layered atomic structure and noncentrosymmetry, exhibits nonreciprocal magnetotransport in a magnetic field perpendicular and parallel to the plane, which is considered a manifest of ratchet motion of superconducting vortices. We demonstrated that the ratchet motion is responsive to current excitation, magnetic field and thermal perturbation. Furthermore, we extrapolated a giant nonreciprocal coefficient (γ), which quantitatively describes the magnitude of the vortex ratchet motion, and eventually established phase diagrams of the ratchet motion of the vortices with a quantitative description. Last, we propose that the ratchet motion originates from the coexistence of pancake vortices (PVs) and Josephson vortices (JVs). The phase diagrams are desirable for controlling the vortex motion in superlattice superconductors and developing next-generation energy-efficient superconducting devices.

cond-mat.supr-con↗

Synaptic modulation of conductivity and magnetism in a CoPt-based electrochemical transistor

Among various types of neuromorphic devices towards artificial intelligence, the electrochemical synaptic transistor emerges, in which the channel conductance is modulated by the insertion of ions according to the history of gate voltage across the electrolyte. Despite the striking progress in exploring novel channel materials, few studies report on the ferromagnetic metal-based synaptic transistors, limiting the development of spin-based neuromorphic devices. Here, we present synaptic modulation of both conductivity as well as magnetism based on an electrochemical transistor with a metallic channel of ferromagnetic CoPt alloy. We first demonstrate its essential synaptic functionalities in the transistor, including depression and potentiation of synaptic weight, and paired-pulse facilitation. Then, we show a short- to long-term plasticity transition induced by different gate parameters, such as amplitude, duration, and frequency. Furthermore, the device presents multilevel and reversible nonvolatile states in both conductivity and coercivity. The results demonstrate simultaneous modulation of conductivity and magnetism, paving the way for building future spin-based multifunctional synaptic devices.

physics.app-ph↗

Symmetry Relation Database and Its Application to Ferroelectric Materials Discovery

The ability to understand the atomistic mechanisms that occur in the solid phase transition is of crucial importance in materials research. To investigate the displacive phase transition at the atomic scale, we have implemented a numerical algorithm to automate the detection of the symmetry relations between any two candidate crystal structures. Using this algorithm, we systematically screen all possible polar-nonpolar structure pairs from the entire Materials Project database and establish a database of $\sim$4500 pairs that possess a close symmetry relation. These pairs can be connected through a continuous phase transition with small atomic displacements. From this database, we identify several new ferroelectric materials that have never been reported in the past. In addition to the screening of ferroelectric materials, the symmetry relation database may also be used for other areas, such as material structure prediction and new materials discovery.

cond-mat.mtrl-sci↗

Quantification of Crystal Packing Similarity from Spherical Harmonic Transform

In this work, we present a new computational approach to characterize and classify molecular packing in the solid states. The key idea is to project each neighboring molecule (or short contact) from the centered molecule into a unit sphere according to the interaction energy. Consequently, the similarity between two spherical images can be evaluated from the spherical harmonics expansion based on the maximum cross-correlation. We apply this approach to successfully reproduce the previous packing assignment on a small amount of data with an improved categorization. Furthermore, we conduct a packing similarity analysis over 2000 hydrocarbon crystal data sets and uncover a set of abundant packing motifs. Unlike the previous approaches based on the subjective visual comparison at the real space, our approach provides a more robust way to measure the packing similarity, thus paving the way for a rapid classification of large scale crystal data.

cond-mat.mtrl-sci↗