arXiv subjects

Zhao Liu

Publications and source records attributed to Zhao Liu.

At least 73 records · Page 4Linked to original sources

arXiv2023

O2ATH: An OpenMP Offloading Toolkit for the Sunway Heterogeneous Manycore Platform

The next generation Sunway supercomputer employs the SW26010pro processor, which features a specialized on-chip heterogeneous architecture. Applications with significant hotspots can benefit from the great computation capacity improvement of Sunway many-core architectures by carefully making intensive manual many-core parallelization efforts. However, some legacy projects with large codebases, such as CESM, ROMS and WRF, contain numerous lines of code and do not have significant hotspots. The cost of manually porting such applications to the Sunway architecture is almost unaffordable. To overcome such a challenge, we have developed a toolkit named O2ATH. O2ATH forwards GNU OpenMP runtime library calls to Sunway's Athread library, which greatly simplifies the parallelization work on the Sunway architecture.O2ATH enables users to write both MPE and CPE code in a single file, and parallelization can be achieved by utilizing OpenMP directives and attributes. In practice, O2ATH has helped us to port two large projects, CESM and ROMS, to the CPEs of the next generation Sunway supercomputers via the OpenMP offload method. In the experiments, kernel speedups range from 3 to 15 times, resulting in 3 to 6 times whole application speedups.Furthermore, O2ATH requires significantly fewer code modifications compared to manually crafting CPE functions.This indicates that O2ATH can greatly enhance development efficiency when porting or optimizing large software projects on Sunway supercomputers.

cs.PL↗

arXiv2023

Floquet Fractional Chern Insulators and Competing Phases in Twisted Bilayer Graphene

We study the many-body physics in twisted bilayer graphene coupled to periodic driving of a circularly polarized light when electron-electron interactions are taken into account. In the limit of high driving frequency $Ω$, we use Floquet theory to formulate the system by an effective static Hamiltonian truncated to the order of $Ω^{-2}$, which consists of a single-electron part and the screened Coulomb interaction. We numerically simulate this effective Hamiltonian by extensive exact diagonalization in the parameter space spanned by the twist angle and the driving strength. Remarkably, in a wide region of the parameter space, we identify Floquet fractional Chern insulator states in the partially filled Floquet valence bands. We characterize these topologically ordered states by ground-state degeneracy, spectral flow, and entanglement spectrum. In regions of the parameter space where fractional Chern insulator states are absent, we find topologically trivial charge density waves and band-dispersion-induced Fermi liquids which strongly compete with fractional Chern insulator states.

cond-mat.str-el↗

arXiv2023

ConFL: Constraint-guided Fuzzing for Machine Learning Framework

As machine learning gains prominence in various sectors of society for automated decision-making, concerns have risen regarding potential vulnerabilities in machine learning (ML) frameworks. Nevertheless, testing these frameworks is a daunting task due to their intricate implementation. Previous research on fuzzing ML frameworks has struggled to effectively extract input constraints and generate valid inputs, leading to extended fuzzing durations for deep execution or revealing the target crash. In this paper, we propose ConFL, a constraint-guided fuzzer for ML frameworks. ConFL automatically extracting constraints from kernel codes without the need for any prior knowledge. Guided by the constraints, ConFL is able to generate valid inputs that can pass the verification and explore deeper paths of kernel codes. In addition, we design a grouping technique to boost the fuzzing efficiency. To demonstrate the effectiveness of ConFL, we evaluated its performance mainly on Tensorflow. We find that ConFL is able to cover more code lines, and generate more valid inputs than state-of-the-art (SOTA) fuzzers. More importantly, ConFL found 84 previously unknown vulnerabilities in different versions of Tensorflow, all of which were assigned with new CVE ids, of which 3 were critical-severity and 13 were high-severity. We also extended ConFL to test PyTorch and Paddle, 7 vulnerabilities are found to date.

cs.SE↗

arXiv2023

Enhanced Itinerant Ferromagnetism in Hole-doped Transition Metal Oxides: Beyond the Canonical Double Exchange Mechanism

Here we demonstrate the occurrence of robust itinerant ferromagnetism in Mott-Hubbard systems at both low and high doping concentrations. Specifically, we study the effect of hole doping on the experimentally synthesized LaCrAsO via first-principles calculations and observe that the parent G-type antiferromagnetism vanishes quickly at low doping concentration ($x$ $\sim$ 0.20) and the system becomes ferromagnetic metal due to the canonical double exchange (CDE) mechanism. As $x$ continues to increase, the onsite energy difference between Cr 3$d$ and As 4$p$ orbitals decreases and the system transitions to a ferromagnetic negative charge-transfer energy metal. Therefore, the itinerant ferromagnetism doesn't terminate at intermediate $x$ as CDE mechanism usually predicts. Furthermore, our calculations reveal that both nearest and next-nearest ferromagnetic exchange coupling strengths keep growing with $x$, showing that ferromagnetism caused by negative charge-transfer energy state is "stronger" than that of CDE picture. Our work not only unveils an alternative mechanism of itinerant ferromagnetism, but also has the potential to attract immediate interest among experimentalists.

cond-mat.str-el↗

arXiv2023

Recent Developments in Fractional Chern Insulators

Fractional Chern insulators (FCIs) are lattice generalizations of the conventional fractional quantum Hall effect (FQHE) in two-dimensional (2D) electron gases. They typically arise in a 2D lattice without time-reversal symmetry when a nearly flat Bloch band with nonzero Chern number is partially occupied by strongly interacting particles. Band topology and interactions endow FCIs exotic topological orders which are characterized by the precisely quantized Hall conductance, robust ground-state degeneracy on high-genus manifolds, and fractionalized quasiparticles. Since in principle FCIs can exist at zero magnetic field and be protected by a large energy gap, they provide a potentially experimentally more accessible avenue for observing and harnessing FQHE phenomena. Moreover, the interplay between FCIs and lattice-specific effects that do not exist in the conventional continuum FQHE poses new theoretical challenges. In this chapter, we provide a general introduction of the theoretical model and numerical simulation of FCIs, then pay special attention on the recent development of this field in moiré materials while also commenting on potential alternative implementations in cold atom systems. With a plethora of exciting theoretical and experimental progress, topological flat bands in moiré materials such as magic-angle twisted bilayer graphene on hexagonal boron nitride have indeed turned out to be a remarkably versatile platform for FCIs featuring an intriguing interplay between topology, geometry, and interactions.

cond-mat.mes-hall↗

arXiv2023

Modular transformation and anyonic statistics of multi-component fractional quantum Hall states

We investigate the response to modular transformations and the fractional statistics of Abelian multi-component fractional quantum Hall (FQH) states. In particular, we analytically derive the modular matrices encoding the statistics of anyonic excitations for general Halperin states using the conformal field theories (CFTs). We validate our theory by several microscopic examples, including the spin-singlet state using anyon condensation picture and the Halperin (221) state in a topological flat-band lattice model using numerical calculations. Our results, uncovering that the modular matrices and associated fractional statistics are solely determined by the $K$-matrix, further strengthens the correspondence between the 2D CFTs and (2+1)D topological orders for multi-component FQH states.

cond-mat.str-el↗

arXiv2022

Segmentation-free PVC for Cardiac SPECT using a Densely-connected Multi-dimensional Dynamic Network

In nuclear imaging, limited resolution causes partial volume effects (PVEs) that affect image sharpness and quantitative accuracy. Partial volume correction (PVC) methods incorporating high-resolution anatomical information from CT or MRI have been demonstrated to be effective. However, such anatomical-guided methods typically require tedious image registration and segmentation steps. Accurately segmented organ templates are also hard to obtain, particularly in cardiac SPECT imaging, due to the lack of hybrid SPECT/CT scanners with high-end CT and associated motion artifacts. Slight mis-registration/mis-segmentation would result in severe degradation in image quality after PVC. In this work, we develop a deep-learning-based method for fast cardiac SPECT PVC without anatomical information and associated organ segmentation. The proposed network involves a densely-connected multi-dimensional dynamic mechanism, allowing the convolutional kernels to be adapted based on the input images, even after the network is fully trained. Intramyocardial blood volume (IMBV) is introduced as an additional clinical-relevant loss function for network optimization. The proposed network demonstrated promising performance on 28 canine studies acquired on a GE Discovery NM/CT 570c dedicated cardiac SPECT scanner with a 64-slice CT using Technetium-99m-labeled red blood cells. This work showed that the proposed network with densely-connected dynamic mechanism produced superior results compared with the same network without such mechanism. Results also showed that the proposed network without anatomical information could produce images with statistically comparable IMBV measurements to the images generated by anatomical-guided PVC methods, which could be helpful in clinical translation.

eess.IV↗

arXiv2022

Origin of Model Fractional Chern Insulators in All Topological Ideal Flatbands: Explicit Color-entangled Wavefunction and Exact Density Algebra

It is commonly believed that nonuniform Berry curvature destroys the Girvin-MacDonald-Platzman algebra and as a consequence destabilizes fractional Chern insulators. In this work we disprove this common lore by presenting a theory for all topological ideal flatbands with nonzero Chern number C. The smooth single-particle Bloch wavefunction is proved to admit an exact color-entangled form as a superposition of C lowest Landau level type wavefunctions distinguished by boundary conditions. Including repulsive interactions, Abelian and non-Abelian model fractional Chern insulators of Halperin type are stabilized as exact zero-energy ground states no matter how nonuniform Berry curvature is, as long as the quantum geometry is ideal and the repulsion is short-ranged. The key reason behind is the existence of an emergent Hilbert space in which Berry curvature can be exactly flattened by adjusting wavefunction's normalization. In such space, the flatband-projected density operator obeys a closed Girvin-MacDonald-Platzman type algebra, making exact mapping to C-layered Landau levels possible. In the end we discuss applications of the theory to moire flatband systems with a particular focus on the fractionalized phase and spontaneous symmetry breaking phase recently observed in graphene based twisted materials.

cond-mat.mes-hall↗

arXiv2022

Strain engineering of two-dimensional piezo-photocatalytic materials for hydrogen production

Low-dimensional transition metal dichalcogenides (TMDC) exhibit great photocatalytic performance and tunability. In this work, using first-principles simulations based on density functional theory (DFT), we demonstrate that external electric bias can be employed to further improve the photocatalytic hydrogen production efficiency of the six AB$_{2}$ (A=Mo, W and B=S, Se, Te) TMDC monolayers by exploiting their piezoelectric response. In particular, when subjected to a proper amount of electrically induced tensile biaxial strain, most TMDC monolayers turn into potentially ideal photocatalyst towards the hydrogen evolution reaction (HER). The beneficial effects of introducing tensile biaxial strain on the TMDC monolayers are not limited to the reduction of the band gap and proper adjustment of the band edge positions, but also to the modification of the H adsorption free energy in such a way that the HER reaction is noticeably favored.

cond-mat.mtrl-sci↗

arXiv2022

Two-Dimensional Semiconducting Metal Organic Frameworks with Auxetic Effect, Room Temperature Ferrimagnetism, Chiral Ferroelectricity, Bipolar Spin Polarization and Topological Nodal Lines/Points

Two-dimensional (2D) semiconductors integrated with two or more functions are the cornerstone for constructing multifunctional nanodevices, but remain largely limited. Here, by tuning the spin state of organic linkers and the symmetry/topology of crystal lattice, we predict a class of unprecedented multifunctional semiconductors in 2D Cr(II) five-membered heterocyclic metal organic frameworks that simultaneously possess auxetic effect, room temperature ferrimagnetism, chiral ferroe-lectricity, electrically reversible spin polarization and topological nodal lines/points. Taking 2D Cr(TDZ)$_2$ (TDZ=1.2.5-thiadiazole) as an exemplification, the auxetic effect is produced by the anti-tetra-chiral lattice structure. The high temperature ferrimagnetism originates from the strong d-p direct magnetic exchange interaction between Cr cations and TDZ doublet radical anions. Meanwhile, the clockwise-counterclockwise alignment of TDZ' dipoles results in unique 2D chiral ferroelectricity with atomic-scale vortex-antivortex states. 2D Cr(TDZ)$_2$ is an intrinsic bipolar magnetic semiconductor where half-metallic conduction with switchable spin-polarization direction can be induced by applying a gate voltage. Besides, the symmetry of the little group C$_4$ of lattice structure endows 2D Cr(TDZ)$_2$ with topological nodal lines and a quadratic nodal point in the Brillouin zone near the Fermi level.

cond-mat.mtrl-sci↗

arXiv2022

Ferromagnetic Negative Charge-Transfer Insulator: from Theoretical Proposal to Material Realization

Here we propose another type of ferromagnetic semiconductors: ferromagnetic negative charge-transfer insulator (FNCTI). In FNCTI, the negative charge-transfer states strongly enhance the ferromagnetic (FM) exchange interactions and the orbital hybridization gap permits the magnetic molecular orbitals as the underlying magnetic units rather than local atomic orbitals. Thus the FM exchange interactions are rather strong and decay slowly due to the large spearding of magnetic molecular orbitals. This is distinct from the superexchange mechanism where FM exchange interactions are quite weak as summarized in the well-known Goodenough-Kanamori-Anderson semi-empirical rules.Through first-principle calculations with the hybrid functional, PbO-type CrAs monolayer is mapped out to be a FNCTI, which possesses a band gap $\sim$ 0.35 eV, FM nearest-/next-nearest-neighbor exchange coupling strength $\sim$ 57/40 meV, and a high $T_c$ $\sim$ 1500 K respectively. It is believed that the existence of FNCTI validates the long-pending hypothesis by D. I. Khomskii and G. A. Sawatzky in 1997 [Solid State Commun. 102, 87 (1997)].

cond-mat.str-el↗

arXiv2022

Mid-level Representation Enhancement and Graph Embedded Uncertainty Suppressing for Facial Expression Recognition

Facial expression is an essential factor in conveying human emotional states and intentions. Although remarkable advancement has been made in facial expression recognition (FER) task, challenges due to large variations of expression patterns and unavoidable data uncertainties still remain. In this paper, we propose mid-level representation enhancement (MRE) and graph embedded uncertainty suppressing (GUS) addressing these issues. On one hand, MRE is introduced to avoid expression representation learning being dominated by a limited number of highly discriminative patterns. On the other hand, GUS is introduced to suppress the feature ambiguity in the representation space. The proposed method not only has stronger generalization capability to handle different variations of expression patterns but also more robustness to capture expression representations. Experimental evaluation on Aff-Wild2 have verified the effectiveness of the proposed method.

cs.CV↗

arXiv2022

High-throughput screening of piezo-photocatalytic materials for hydrogen production

Finding cost-effective and efficient photocatalytic materials able to catalyse the water splitting reaction under visible light is one of the greatest challenges in current environmental material science. Despite that many photocatalysts are already known in the context of green hydrogen production, strategies to systematically and rationally modify their optoelectronic properties to achieve desired photocatalytic performance are yet to be established. Piezoelectric materials react to mechanical stimuli by adjusting their band gaps and band alignments, thus offering a possible route to precise photocatalyst design. However, piezo-photocatalysts are relatively scarce and have been seldom investigated to date. Here, we present a high-throughput screening of piezo-photocatalytic materials performed over $\sim 1,000$ bulk piezoelectrics that relies on a simple electrostatic model and first-principles calculations. A total of $\sim 10$ previously overlooked binary and tertiary bulk compounds are theoretically identified as highly promising piezo-photocatalysts due to their appropriate optoelectronic properties and superb band alignment tunability driven by uniaxial strain.

cond-mat.mtrl-sci↗

arXiv2022

Biaxial strain engineering on the superconducting properties of MgB2 thin film

The effect of biaxial strain on the superconducting properties of MgB2 thin films was studied by first-principles calculations. The stability analyses by phonon dispersions show that biaxial strain as much as 7% can be applied onto MgB2 without inducing any imaginary frequency. The superconducting property calculations based on the frame of Migdal-Eliashberg theory successfully reproduce the two-gap superconductivity of MgB2. The results show that the tensile biaxial strain can increase the critical temperature of MgB2 while the compressive biaxial strain would decrease the critical temperature. The detailed microscopic mechanism of the biaxial strain effect on the superconducting properties was studied by calculations of electronic structures and phonon dispersions. The increased Tc is a combining result of the increased electron density at the Fermi level and the in-plane boron phonon softening. By means of high-throughput screening of proper substrates, it is found that most of the substrates would result in tensile strain in MgB2 film, which is in agreement with many experimental works. The results in this work provide detailed understanding of the biaxial strain engineering mechanism and demonstrate that biaxial strain engineering can be an effective way of tuning the superconducting properties of MgB2 and other similar materials.

cond-mat.mtrl-sci↗

arXiv2022

Hierarchy of Ideal Flatbands in Chiral Twisted Multilayer Graphene Models

We propose models of twisted multilayer graphene that exhibit exactly flat Bloch bands with arbitrary Chern numbers and ideal band geometries. The models are constructed by twisting two sheets of Bernal-stacked multiple graphene layers with only inter-sublattice couplings. Analytically we show that flatband wavefunctions in these models exhibit a momentum space holomorphic character, leading to ideal band geometries. We also explicitly demonstrate a generic "wavefunction exchange" mechanism that generates the high Chern numbers of these ideal flatbands. The ideal band geometries and high Chern numbers of the flatbands imply the possibility of hosting exotic fractional Chern insulators which do not have analogues in continuum Landau levels. We numerically verify that these exotic fractional Chern insulators are model states for short-range interactions, characterized by exact ground-state degeneracies at zero energy and infinite particle-cut entanglement gaps.

cond-mat.mes-hall↗

arXiv2022

Very high-energy collective states of partons in fractional quantum Hall liquids

The low energy physics of fractional quantum Hall (FQH) states -- a paradigm of strongly correlated topological phases of matter -- to a large extent is captured by weakly interacting quasiparticles known as composite fermions (CFs). In this paper, based on numerical simulations and effective field theory, we argue that some \emph{high energy} states in the FQH spectra necessitate a different description based on \emph{parton} quasiparticles. We show that Jain states at filling factor $ν{=}n/(2pn\pm1)$ with integers $n,p{\geq}2$, support two kinds of collective modes: in addition to the well-known Girvin-MacDonald-Platzman (GMP) mode, they host a high energy collective mode, which is interpreted as the GMP mode of partons. We elucidate observable signatures of the parton mode in the dynamics following a geometric quench. We construct a microscopic wave function for the parton mode, and demonstrate agreement between its variational energy and exact diagonalization. Using the parton construction, we derive a field theory of the Jain states and show that the previously proposed effective theories follow from our approach. Our results point to partons being "real" quasiparticles which, in a way reminiscent of quarks, only become observable at sufficiently high energies.

cond-mat.str-el↗

arXiv2022

Anisotropy and quench dynamics of quasiholes in fractional quantum Hall liquids

We present a microscopic study of quasiholes in bosonic fractional quantum Hall (FQH) liquids at filling factor $ν=1/2$ in the lowest Landau level with anisotropic band mass tensors. We use the spatial density profile to characterize the shape of a quasihole and analyze its anisotropy. We then compare the quasihole's anisotropy with the intrinsic geometric metric of the system that is extracted from the maximal overlap between the numerically obtained quasihole ground state and a set of model wave functions of anisotropic quasiholes. For a static system, we find that the quasihole's anisotropy, similar to the intrinsic metric, grows with the anisotropy of the band mass tensor. When the quasihole develops well, we observe a correspondence between the anisotropy of the quasihole and the intrinsic metric of the underlying anisotropic FQH state. We also drive the system out of equilibrium by suddenly changing the band mass tensor. In this case, the shape of the quasihole evolves with time and shows similar dynamics with the intrinsic metric of the postquench state. The evolving frequency matches the energy of a spin-$2$ quadrupole degree of freedom in the system. Our results suggest that the density profile of a quasihole is a useful tool to estimate the intrinsic metric and capture the dynamics of an FQH system.

cond-mat.mes-hall↗

arXiv2022

Disorder-driven phase transitions in bosonic fractional quantum Hall liquids

We investigate the disorder-driven phase transitions in bosonic fractional quantum Hall liquids at filling factors $f=1/2$ and $f=1$ in the lowest Landau level. We use the evolution of ground-state entanglement entropy, fidelity susceptibility, and Hall conductance with increasing disorder strength to identify the underlying phase transitions. The critical disorder strengths obtained from these different quantities are consistent with each other, validating the reliability of our numerical calculations based on exact diagonalization. At $f=1/2$, we observe a clear transition from the bosonic Laughlin state to a trivial insulating phase. At $f=1$, we identify a direct phase transition from the non-Abelian bosonic Moore-Read state to a trivial insulating phase, although some signs of a disorder-induced intermediate fractional quantum Hall phase were recently reported for the $f=5/2$ fermionic cousin.

cond-mat.str-el↗