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Xiaoming Zhang

Xiaoming Zhang contributes to research discovery and scholarly infrastructure.

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Published work

17 published item(s)

preprint2026arXiv

PropGuard: Safeguarding LLM-MAS via Propagation-Aware Exploration and Remediation

LLM-based multi-agent systems (LLM-MAS) have become a promising paradigm for solving complex tasks through role specialization, tool use, memory, and collaborative reasoning. However, these interactions create new security risks that malicious instructions injected through messages, tools, or memories can propagate across agents and rounds, causing system-level compromise. Existing defenses largely rely on local filtering or graph-based anomaly detection, but they often fail to trace fine-grained propagation paths or remediate contaminated states without disrupting benign collaboration. We propose PropGuard, a propagation-aware framework for safeguarding LLM-MAS. PropGuard constructs a dual-view spatio-temporal graph that combines response-centric risk estimation with full-state evidence preservation. Guided by these risk priors, a GE-GRPO trained inspector sequentially explores the full-state graph to recover compact suspicious propagation subgraphs. PropGuard then verifies harmful propagation through subgraph-aware diagnosis and applies source-guided remediation to correct upstream contamination and replay affected downstream interactions. Experiments across four communication architectures and five attack settings demonstrate that PropGuard consistently lowers attack success while maintaining high task-level defense success, achieving a favorable effectiveness--efficiency trade-off.

preprint2026arXiv

TF-Mamba: Text-enhanced Fusion Mamba with Missing Modalities for Robust Multimodal Sentiment Analysis

Multimodal Sentiment Analysis (MSA) with missing modalities has attracted increasing attention recently. While current Transformer-based methods leverage dense text information to maintain model robustness, their quadratic complexity hinders efficient long-range modeling and multimodal fusion. To this end, we propose a novel and efficient Text-enhanced Fusion Mamba (TF-Mamba) framework for robust MSA with missing modalities. Specifically, a Text-aware Modality Enhancement (TME) module aligns and enriches non-text modalities, while reconstructing the missing text semantics. Moreover, we develop Text-based Context Mamba (TC-Mamba) to capture intra-modal contextual dependencies under text collaboration. Finally, Text-guided Query Mamba (TQ-Mamba) queries text-guided multimodal information and learns joint representations for sentiment prediction. Extensive experiments on three MSA datasets demonstrate the effectiveness and efficiency of the proposed method under missing modality scenarios. Our code is available at https://github.com/codemous/TF-Mamba.

preprint2023arXiv

Excellent catalytic performance towards the hydrogen evolution reaction in topological semimetals

Topological states of matter and their corresponding properties are classical research topics in condensed matter physics. Quite recently, the application of materials that feature these states has been extended to the field of electrochemical catalysis and become an emerging research topic that is receiving increasing interest. In particular, several recent experimental studies performed on topological semimetals have already revealed high catalytic performance towards hydrogen evolution reaction (HER), strongly promoting acceptance of the fresh concept of the topological catalyst. This emerging concept has experienced rapid developments in the last few years, but these developments have been rarely summarized. Herein, we offer a comprehensive review on the state-of-the-art progress in developing topological catalysts for the HER process through topological semimetals such as Weyl semimetals, Dirac semimetals, nodal line semimetals, etc. The course of development, the general research routes, and the fundamental mechanisms in topological catalysts are also systematically analyzed in this review.

preprint2022arXiv

CaTT-KWS: A Multi-stage Customized Keyword Spotting Framework based on Cascaded Transducer-Transformer

Customized keyword spotting (KWS) has great potential to be deployed on edge devices to achieve hands-free user experience. However, in real applications, false alarm (FA) would be a serious problem for spotting dozens or even hundreds of keywords, which drastically affects user experience. To solve this problem, in this paper, we leverage the recent advances in transducer and transformer based acoustic models and propose a new multi-stage customized KWS framework named Cascaded Transducer-Transformer KWS (CaTT-KWS), which includes a transducer based keyword detector, a frame-level phone predictor based force alignment module and a transformer based decoder. Specifically, the streaming transducer module is used to spot keyword candidates in audio stream. Then force alignment is implemented using the phone posteriors predicted by the phone predictor to finish the first stage keyword verification and refine the time boundaries of keyword. Finally, the transformer decoder further verifies the triggered keyword. Our proposed CaTT-KWS framework reduces FA rate effectively without obviously hurting keyword recognition accuracy. Specifically, we can get impressively 0.13 FA per hour on a challenging dataset, with over 90% relative reduction on FA comparing to the transducer based detection model, while keyword recognition accuracy only drops less than 2%.

preprint2022arXiv

Censer: Curriculum Semi-supervised Learning for Speech Recognition Based on Self-supervised Pre-training

Recent studies have shown that the benefits provided by self-supervised pre-training and self-training (pseudo-labeling) are complementary. Semi-supervised fine-tuning strategies under the pre-training framework, however, remain insufficiently studied. Besides, modern semi-supervised speech recognition algorithms either treat unlabeled data indiscriminately or filter out noisy samples with a confidence threshold. The dissimilarities among different unlabeled data are often ignored. In this paper, we propose Censer, a semi-supervised speech recognition algorithm based on self-supervised pre-training to maximize the utilization of unlabeled data. The pre-training stage of Censer adopts wav2vec2.0 and the fine-tuning stage employs an improved semi-supervised learning algorithm from slimIPL, which leverages unlabeled data progressively according to their pseudo labels' qualities. We also incorporate a temporal pseudo label pool and an exponential moving average to control the pseudo labels' update frequency and to avoid model divergence. Experimental results on Libri-Light and LibriSpeech datasets manifest our proposed method achieves better performance compared to existing approaches while being more unified.

preprint2021arXiv

Ideal fully spin-polarized type-II nodal line state in half-metals X2YZ4 (X=K, Cs, Rb, Y=Cr, Cu, Z=Cl, F)

Lorentz-violating type-II nodal lines exhibit attracting physical properties and have been hot discussed currently. However, their investigations have been mostly limited in nonmagnetic system because of lacking ideal spin-polarized candidates with clean type-II nodal line states. Here, for the first time, we report the family of X2YZ4 (X=K, Cs, Rb, Y=Cr, Cu, Z=Cl, F) compounds are such ideal candidate materials by using the member of K2CuF4 as an example. We show the material is a ferromagnetic half-metal with weak anisotropy, which host fully spin-polarized conducting electrons. In the conducting spin channel, the band crossing form a pair of type-II nodal lines, protected by mirror symmetry. These type-II nodal lines are different with former proposed examples because they have a 100% spin polarization. In addition, we also show the material can realize switchable topological states, which can be easily controlled by external magnetic field. It is noticed that, the material: i) is stable and can be synthesized in experiments; ii) has clear magnetic structure; and iii) manifests clean type-II nodal line state and clear drumhead surface states. Therefore, the proposed X2YZ4 compounds are expected to be an excellent platform to investigate the novel physical properties of both type-II nodal line states with complete

preprint2021arXiv

Multiple-Fold Fermions and Topological Fermi Arcs Induced Catalytic Enhancement in Nanoporous Electride C12A7

Topological materials are recently regarded as the idea catalysts due to the protected surface metallic states and high carrier mobility, however the fundamental mechanism and the underlying relationship between the catalytic performance and topological states are in debate. Here, by means of symmetry analysis and first-principles calculations, we discover that the electride material of C12A7 hosts the multiple-fold fermions due to the interstitial-electrons, with the sixfold- and fourfold- degenerate points locating at high symmetric points near the Fermi energy, which are identified as the underlying reason of the enhanced catalytic ability in C12A7-based catalysts. The multiple-fold fermions exhibit much longer Fermi arcs on the (001) surface than traditional Weyl/Dirac fermions, the surface is thus highly chemical active and possesses a low Gibbs free energy for the hydrogen evolution reaction. The underlying relationship between catalytic performance and the topological surface state is explicitly verified by artificially hole doping, external strain and similar electride without the Fermi arcs, where the Gibbs free energies are significantly increased when the Fermi arcs is shifted to higher energy level. This work offers a guiding principle for understanding catalytic nature of electrides and the topological quantum catalysts.

preprint2021arXiv

Observation of unconventional six-fold, four-fold and three-fold excitations in rare-earth-metal carbide Re2C3

Unconventional fermions, such as three-fold, four-fold, six-fold, and eight-fold fermions have attracted intense attention in recent years. However, the concrete materials hosting unconventional fermions are still in urgent scarcity. In this work, based first-principle calculations and symmetry analysis, we reveal rich unconventional fermions in existing compound Re2C3 (Re = Y, La, Ce, Pr, Nd, Sm, Tb, Dy, Ho, Er, Tm, Yb, Lu). We show that these compounds host quadratic dispersive three-fold (TP), linear dispersive four-fold (FP) and six-fold points (SP) near the Fermi level in their electric band structures when spin-orbital coupling (SOC) is not included. Notably, the FP is charge-2 Dirac-like point. More importantly, among compound Re2C3, the compound Yb2C3 has very clean band structure, and its unconventional fermions are closed to the Fermi level. We also find that a uniaxial strain can transform the unconventional fermions into other types fermions, depending on the directions of strain. When SOC is considered, a SP transform to an eightfold degenerate point and a fourfold degenerate point. Overall, our work provides a family of realistic materials to study the unconventional fermions.

preprint2021arXiv

Theoretical realization of hybrid Weyl state and associated high catalytic performance for hydrogen evolution in NiSi

For electrochemical hydrogen evolution reaction (HER), developing high-performance catalysts without containing precious metals has been a major research focus in the current. Herein, we show the feasibility of HER catalytic enhancement in Ni-based materials based on topological engineering from hybrid Weyl states. Via a high-throughput computational screening from 140 000 materials, we identify a chiral compound NiSi is a hybrid Weyl semimetal (WSM) with showing bulk type-I and type-II Weyl nodes and long surface Fermi arcs near the Fermi level. Sufficient evidences verify that topological charge carriers participate in the HER process, and make the certain surface of NiSi highly active with the Gibbs free energy nearly zero (0.07 eV), which is even lower than Pt and locates on the top of the volcano plots. This work opens up a new routine to develop no-precious-metal-containing HER catalysts via topological engineering, rather than traditional defect engineering, doping engineering, or strain engineering.

preprint2021arXiv

Topological quantum catalyst: the case of two-dimensional traversing nodal line states associated with high catalytic performance for hydrogen evolution reaction

Topological quantum catalysts (TQCs), where metallic surface states from nontrivial band topology serve as the mechanism to favor heterogeneous catalysis processes, have been well demonstrated in three dimensional (3D) examples but have been rarely discussed in 2D scale. Here, we develop a design scheme to realize 2D TQCs with showing traversing nodal line at the Brillouin zone boundary, large Fermi arc on the edge, and nearly zero Gibbs free energy (ΔGH*) for hydrogen evolution reaction (HER). We demonstrate the 2D Cu2C2N4 sheet is a such example. The material manifests an open nodal line traversing the whole k-path S-Y. It shows a long Fermi arc that spans the entire edge boundary, which is robust against spin-orbit coupling and the H adsorption. As the result, the edge of Cu2C2N4 sheet is relatively active for HER catalysis with possessing a ΔGH* as low as 0.10 eV, which is comparable with that of Pt and superior to other traditional catalysts and 3D TQCs as well. Our work offers an effective route to develop high performance HER catalysis without containing noble metals by utilizing 2D TQCs with traversing nodal line.

preprint2021arXiv

Weyl nodal line induced pairing in Ising superconductor and high critical field

Superconducting and topological states are two quantum phenomena attracting much interest. Their coexistence may lead to topological superconductivity sought-after for Majorana-based quantum computing. However, there is no causal relationship between the two, since superconductivity is a many-body effect due to electron-electron interaction while topology is a single-particle manifestation of electron band structure. Here, we demonstrate a novel form of Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) pairing, induced by topological Weyl nodal lines in Ising Bardeen-Cooper-Schrieffer (IBCS) superconductors. Based on first-principles calculations and analyses, we predict that the nonmagnetic metals of MA$_2$Z$_4$ family, including $α_1$-TaSi$_2$P$_4$, $α_1$-TaSi$_2$N$_4$, $α_1$-NbSi$_2$P$_4$, $α_2$-TaGe$_2$P$_4$, and $α_2$-NbGe$_2$P$_4$ monolayers, are all superconductors. While the intrinsic IBCS paring arises in these non-centrosymmetric systems, the extrinsic FFLO pairing is revealed to be evoked by the Weyl nodal lines under magnetic field, facilitating the formation of Cooper pairs with nonzero momentum in their vicinity. Moreover, we show that the IBCS pairing alone will enhance the in-plane critical field $B_c$ to ~10-50 times of Pauli paramagnetic limit $B_p$, and additional FFLO pairing can further triple the $B_c/B_p$ ratio. It therefore affords an effective approach to enhance the robustness of superconductivity. Also, the topology induced superconductivity renders naturally the possible existence of topological superconducting state.

preprint2020arXiv

A Record-High Ion Storage Capacity of T-Graphene as Two-Dimensional Anode Material for Li-ion and Na-ion Batteries

Developing applicable two-dimensional (2D) electrode materials with high performance, especially with high ion storage capacity, has become an ever more obsessive quest in recent years. Based on first-principles calculations, we report that T-graphene, a new carbon-based 2D material, has a record-high Li/Na storage capacity. The capacity of T-graphene is as high as 2233.2 mA h g-1 for Li, and can reach 2357.2 mA h g-1 for Na, which are 6 times as much as that of the commercial graphite and are the highest among 2D anode materials identified so far. We demonstrate that the ultrahigh storage capacity of T-graphene mostly benefits from its low atomic mass and special periodic lattice structure. T-graphene has not only the ultrahigh storage capacity but also hosts the stable ion adsorption, good electric conductivity, fast ion diffusion speed, and low open-circuit voltage, which are merits required as a superior anode material for Li-ion and Na-ion batteries with ultrahigh storage capacity.

preprint2020arXiv

Ferromagnetic hybrid nodal loop and switchable type-I and type-II Weyl fermions in two-dimension

As a novel type of fermionic state, hybrid nodal loop with the coexistence of both type-I and type- II band crossings has attracted intense research interest. However, it remains a challenge to realize hybrid nodal loop in both two-dimensional (2D) materials and in ferromagnetic (FM) materials. Here, we propose the first FM hybrid nodal loop in 2D CrN monolayer. We show that the material has a high Curie temperature (> 600 K) FM ground state, with the out-of-plane [001] magnetization. It shows a half-metallic band structure with two bands in the spin-up channel crossing each other near the Fermi level. These bands produce both type-I and type-II band crossings, which form a fully spin-polarized hybrid nodal loop. We find the nodal loop is protected by the mirror symmetry and robust against spin-orbit coupling (SOC). An effective Hamiltonian characterizing the hybrid nodal loop is established. We further find the configuration of nodal loop can be shifted under external perturbations such as strain. Most remarkably, we demonstrate that both type-I and type-II Weyl nodes can be realized from such FM hybrid nodal loop by simply shifting the magnetization from out-of-plane to in-plane. Our work provides an excellent candidate to realize FM hybrid nodal loop and Weyl fermions in 2D material, and is also promising for related topological applications with their intriguing properties.

preprint2020arXiv

First-principles study on the bulk and two-dimensional structures of AMnBi(A =K, Rb, Cs)-family materials

Magnetic materials with high mobilities are intriguing subject of research from both fundamental and application perspectives. Based on first-principle calculations, we investigate the physical properties of the already synthesized AMnBi(A =K, Rb, Cs)-family materials. We show that these materials are antiferromagnetic (AFM), with Neel temperatures above 300 K. They contain AFM ordered Mn layers, while the interlayer coupling changes from ferromagnetic (FM) for KMnBi to AFM for RbMnBi and CsMnBi. We find that these materials are narrow gap semiconductors. Owing to the small effective mass, the electron carrier mobility can be very high, reaching up to 100,000 cm2/(Vs) for KMnBi. In contrast, the hole mobility is much suppressed, typically lower by two orders of magnitude. We further study their two-dimensional (2D) single layer structures, which are found be AFM with fairly high mobility (1000 cm2/(Vs)). Their Neel temperatures can still reach room temperature. Interesting, we find that the magnetic phase transition is also accompanied by a metal-insulator phase transition, with the paramagnetic metal phase possessing a pair of nonsymmorphic-symmetry-protected 2D spin-orbit Dirac points. Furthermore, the magnetism can be effectively controlled by the applied strain. When the magnetic ordering is turned into FM, the system can become a quantum anomalous Hall insulator with gapless chiral edge states.

preprint2020arXiv

Structure, phase stability, half-metallicity, and fully spin-polarized Weyl states in compound NaV2O4: a new example for topological spintronic material

Here, we systematically investigate the structure, phase stability, half-metallicity, and topological electronic structure for a new topological spintronic material NaV2O4. The material has a tetragonal structure with excellent dynamical and thermal stabilities. It shows a half-metallic ground state, where only the spin-up bands present near the Fermi level. These bands form a Weyl nodal line close to the Fermi level, locating in the kz = 0 plane. The nodal line is robust against SOC, under the protection of the mirror symmetry. The nodal line band structure is very clean, thus the drumhead surface states can be clearly identified. Remarkably, the nodal line and drumhead surface states have the 100% spin polarization, which are highly desirable for spintronics applications. In addition, by shifting the magnetic field in-plane, we find that the Weyl nodal line can transform into single pair of Weyl nodes. The Weyl-line and Weyl-node fermions in the bulk, as well as the drumhead fermions on the surface are all fully spin-polarized, which may generate new physical properties and promising applications.

preprint2020arXiv

Topological Nodal Line Electrides: Realization of Ideal Nodal Line State Nearly Immune from Spin-Orbit Coupling

Nodal line semimetals (NLSs) have attracted broad interest in current research. In most of existing NLSs, the intrinsic properties of nodal lines are greatly destroyed because nodal lines usually suffer sizable gaps induced by non-negligible spin-orbit coupling (SOC). In this work,we propose the topological nodal line electrides (TNLEs), which achieve electronic structures of nodal lines and electrides simultaneously, provide new insight on designing excellent NLSs nearly immune from SOC. Since the states near the Fermi level are most contributed by nonnucleus-bounded interstitial electrons, nodal lines in TNLEs manifest extremely small SOCinduced gap even possessing heavy elements. Especially, we propose the family of A2B (A = Ca, Sr, Ba; B= As, Sb, Bi) materials are realistic TNLEs with negligible SOC-induced gaps, which can play as excellent platforms to study the intrinsic properties of TNLEs

preprint2020arXiv

Two-dimensional Weyl nodal line semimetal in high Curie temperature d0 ferromagnet K2N monolayer

Nodal line semimetals in two-dimensional (2-D) materials have attracted intense attention currently. From fundamental physics and spintronic applications points of view, high Curie temperature ferromagnetic (FM) ones with nodal lines robust against spin-orbit coupling (SOC) are significantly in desirable. Here, we propose that FM K2N monolayer is such Weyl nodal line semimetal. We show that K2N monolayer is dynamically stable, and has a FM ground magnetic state with the out-of-plane [001] magnetization. It shows two nodal lines in the low-energy band structures. Both nodal lines are robust against SOC, under the protection of mirror symmetry. We construct an effective Hamiltonian, which can well characterize the nodal lines in the system. Remarkably, the nodal line semimetal proposed here is distinct from the previously studied ones in that K2N monolayer is 2-D d0-type ferromagnet with the magnetism arising from the partially filled N-p orbitals, which can bring special advantages in spintronic applications. Besides, the Curie temperature in K2N monolayer is estimated to be 942K, being significantly higher than previous FM nodal lines materials. We also find that, specific tensile strains can transform the nodal line from type-I to a type-II one, making its nodal line characteristics even more interesting.