arXiv subjects

Yuxiang Wang

Publications and source records attributed to Yuxiang Wang.

At least 91 records · Page 5Linked to original sources

arXiv2024

Hound: Hunting Supervision Signals for Few and Zero Shot Node Classification on Text-attributed Graph

Text-attributed graph (TAG) is an important type of graph structured data with text descriptions for each node. Few- and zero-shot node classification on TAGs have many applications in fields such as academia and social networks. However, the two tasks are challenging due to the lack of supervision signals, and existing methods only use the contrastive loss to align graph-based node embedding and language-based text embedding. In this paper, we propose Hound to improve accuracy by introducing more supervision signals, and the core idea is to go beyond the node-text pairs that come with data. Specifically, we design three augmentation techniques, i.e., node perturbation, text matching, and semantics negation to provide more reference nodes for each text and vice versa. Node perturbation adds/drops edges to produce diversified node embeddings that can be matched with a text. Text matching retrieves texts with similar embeddings to match with a node. Semantics negation uses a negative prompt to construct a negative text with the opposite semantics, which is contrasted with the original node and text. We evaluate Hound on 5 datasets and compare with 13 state-of-the-art baselines. The results show that Hound consistently outperforms all baselines, and its accuracy improvements over the best-performing baseline are usually over 5%.

cs.AI↗

arXiv2024

Acousto-drag photovoltaic effect by piezoelectric integration of two-dimensional semiconductors

Light-to-electricity conversion is crucial for energy harvesting and photodetection, requesting efficient electron-hole pair separation to prevent recombination. Traditional junction-based mechanisms using built-in electric fields fail in non-barrier regions. Homogeneous material harvesting under photovoltaic effect is appealing but only realized in non-centrosymmetric systems via bulk photovoltaic effect. Here we report the realization of photovoltaic effect by employing surface acoustic waves (SAW) to generate zero-bias photocurrent in a conventional layered semiconductor MoSe2. SAW induces periodic modulation to electronic bands and drags the photoexcited pairs toward the travelling direction. The photocurrent is extracted by a local barrier. The separation of generation and extraction processes suppresses recombination and yields large nonlocal photoresponse. We distinguish acousto-electric drag and electron-hole pair separation effect by fabricating devices of different configurations. The acousto-drag photovoltaic effect, enabled by piezoelectric integration, offers an efficient light-to-electricity conversion method, independent of semiconductor crystal symmetry.

cond-mat.mes-hall↗

arXiv2024

Measurement of microwave polarization using two polarization orthogonal local microwave electric fields in a Rydberg atom-based mixer

We propose and demonstrate a novel method for measuring the polarization direction of a microwave electric field in a single measurement using a Rydberg atom-based mixer with two orthogonally polarized local microwave electric fields. Furthermore, introducing a weak static magnetic field enables the utilization of the Zeeman effect and exploitation of polarization asymmetry. This distinction allows for determining the polarization direction of the microwave field isθor180°-θwithin the 0 to 180 degree range. This is the first real-time measurement of microwave polarization within 0 to 180 degrees, crucial for microwave sensing and information transmission.

physics.atom-ph↗

arXiv2024

Deep learning density functional theory Hamiltonian in real space

Deep learning electronic structures from ab initio calculations holds great potential to revolutionize computational materials studies. While existing methods proved success in deep-learning density functional theory (DFT) Hamiltonian matrices, they are limited to DFT programs using localized atomic-like bases and heavily depend on the form of the bases. Here, we propose the DeepH-r method for deep-learning DFT Hamiltonians in real space, facilitating the prediction of DFT Hamiltonian in a basis-independent manner. An equivariant neural network architecture for modeling the real-space DFT potential is developed, targeting a more fundamental quantity in DFT. The real-space potential exhibits simplified principles of equivariance and enhanced nearsightedness, further boosting the performance of deep learning. When applied to evaluate the Hamiltonian matrix, this method significantly improved in accuracy, as exemplified in multiple case studies. Given the abundance of data in the real-space potential, this work may pave a novel pathway for establishing a ``large materials model" with increased accuracy.

physics.comp-ph↗

arXiv2024

Improving density matrix electronic structure method by deep learning

The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory (DFT) electronic structure being particularly promising. In this work, we introduce a neural-network method for modeling the DFT density matrix, a fundamental yet previously unexplored quantity in deep-learning electronic structure. Utilizing an advanced neural network framework that leverages the nearsightedness and equivariance properties of the density matrix, the method demonstrates high accuracy and excellent generalizability in multiple example studies, as well as capability to precisely predict charge density and reproduce other electronic structure properties. Given the pivotal role of the density matrix in DFT as well as other computational methods, the current research introduces a novel approach to the deep-learning study of electronic structure properties, opening up new opportunities for deep-learning enhanced computational materials study.

physics.comp-ph↗

arXiv2024

Universal materials model of deep-learning density functional theory Hamiltonian

Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence, but how to achieve this fantastic and challenging objective remains elusive. Here, we propose a feasible pathway to address this paramount pursuit by developing universal materials models of deep-learning density functional theory Hamiltonian (DeepH), enabling computational modeling of the complicated structure-property relationship of materials in general. By constructing a large materials database and substantially improving the DeepH method, we obtain a universal materials model of DeepH capable of handling diverse elemental compositions and material structures, achieving remarkable accuracy in predicting material properties. We further showcase a promising application of fine-tuning universal materials models for enhancing specific materials models. This work not only demonstrates the concept of DeepH's universal materials model but also lays the groundwork for developing large materials models, opening up significant opportunities for advancing artificial intelligence-driven materials discovery.

physics.comp-ph↗

arXiv2024

TempCompass: Do Video LLMs Really Understand Videos?

Recently, there is a surge in interest surrounding video large language models (Video LLMs). However, existing benchmarks fail to provide a comprehensive feedback on the temporal perception ability of Video LLMs. On the one hand, most of them are unable to distinguish between different temporal aspects (e.g., speed, direction) and thus cannot reflect the nuanced performance on these specific aspects. On the other hand, they are limited in the diversity of task formats (e.g., only multi-choice QA), which hinders the understanding of how temporal perception performance may vary across different types of tasks. Motivated by these two problems, we propose the \textbf{TempCompass} benchmark, which introduces a diversity of temporal aspects and task formats. To collect high-quality test data, we devise two novel strategies: (1) In video collection, we construct conflicting videos that share the same static content but differ in a specific temporal aspect, which prevents Video LLMs from leveraging single-frame bias or language priors. (2) To collect the task instructions, we propose a paradigm where humans first annotate meta-information for a video and then an LLM generates the instruction. We also design an LLM-based approach to automatically and accurately evaluate the responses from Video LLMs. Based on TempCompass, we comprehensively evaluate 8 state-of-the-art (SOTA) Video LLMs and 3 Image LLMs, and reveal the discerning fact that these models exhibit notably poor temporal perception ability. Our data will be available at https://github.com/llyx97/TempCompass.

cs.CV↗

arXiv2024

Continual Multimodal Knowledge Graph Construction

Current Multimodal Knowledge Graph Construction (MKGC) models struggle with the real-world dynamism of continuously emerging entities and relations, often succumbing to catastrophic forgetting-loss of previously acquired knowledge. This study introduces benchmarks aimed at fostering the development of the continual MKGC domain. We further introduce MSPT framework, designed to surmount the shortcomings of existing MKGC approaches during multimedia data processing. MSPT harmonizes the retention of learned knowledge (stability) and the integration of new data (plasticity), outperforming current continual learning and multimodal methods. Our results confirm MSPT's superior performance in evolving knowledge environments, showcasing its capacity to navigate balance between stability and plasticity.

cs.CL↗

arXiv2024

Memristive switching in the surface of a charge-density-wave topological semimetal

Owing to the outstanding properties provided by nontrivial band topology, topological phases of matter are considered as a promising platform towards low-dissipation electronics, efficient spin-charge conversion, and topological quantum computation. Achieving ferroelectricity in topological materials enables the non-volatile control of the quantum states, which could greatly facilitate topological electronic research. However, ferroelectricity is generally incompatible with systems featuring metallicity due to the screening effect of free carriers. In this study, we report the observation of memristive switching based on the ferroelectric surface state of a topological semimetal (TaSe4)2I. We find that the surface state of (TaSe4)2I presents out-of-plane ferroelectric polarization due to surface reconstruction. With the combination of ferroelectric surface and charge-density-wave-gapped bulk states, an electric switchable barrier height can be achieved in (TaSe4)2I-metal contact. By employing a multi-terminal grounding design, we manage to construct a prototype ferroelectric memristor based on (TaSe4)2I with on/off ratio up to 10^3, endurance over 10^3 cycles, and good retention characteristics. The origin of the ferroelectric surface state is further investigated by first-principles calculations, which reveals an interplay between ferroelectricity and band topology. The emergence of ferroelectricity in (TaSe4)2I not only demonstrates it as a rare but essential case of ferroelectric topological materials, but also opens new routes towards the implementation of topological materials in functional electronic devices.

cond-mat.mtrl-sci↗

arXiv2024

Gate-tunable quantum acoustoelectric transport in graphene

Transport probes the motion of quasiparticles in response to external excitations. Apart from the well-known electric and thermoelectric transport, acoustoelectric transport induced by traveling acoustic waves has been rarely explored. Here, by adopting a hybrid nanodevices integrated with piezoelectric substrates, we establish a simple design of acoustoelectric transport with gate tunability. We fabricate dual-gated acoustoelectric devices based on BN-encapsuled graphene on LiNbO3. Longitudinal and transverse acoustoelectric voltages are generated by launching pulsed surface acoustic wave. The gate dependence of zero-field longitudinal acoustoelectric signal presents strikingly similar profiles as that of Hall resistivity, providing a valid approach for extracting carrier density without magnetic field. In magnetic fields, acoustoelectric quantum oscillations appear due to Landau quantization, which are more robust and pronounced than Shubnikov-de Haas oscillations. Our work demonstrates a feasible acoustoelectric setup with gate tunability, which can be extended to the broad scope of various Van der Waals materials.

cond-mat.mes-hall↗

arXiv2024

Observation of quantum oscillations near the Mott-Ioffe-Regel limit in CaAs3

The Mott-Ioffe-Regel limit sets the lower bound of carrier mean free path for coherent quasiparticle transport. Metallicity beyond this limit is of great interest because it is often closely related to quantum criticality and unconventional superconductivity. Progress along this direction mainly focuses on the strange-metal behaviors originating from the evolution of quasiparticle scattering rate such as linear-in-temperature resistivity, while the quasiparticle coherence phenomena in this regime are much less explored due to the short mean free path at the diffusive bound. Here we report the observation of quantum oscillations from Landau quantization near the Mott-Ioffe-Regel limit in CaAs3. Despite the insulator-like temperature dependence of resistivity, CaAs3 presents giant magnetoresistance and prominent Shubnikov-de Haas oscillations from Fermi surfaces, indicating highly coherent band transport. In contrast, the quantum oscillation is absent in the magnetic torque. The quasiparticle effective mass increases systematically with magnetic fields, manifesting a much larger value than the expectation given by magneto-infrared spectroscopy. It suggests a strong many-body renormalization effect near Fermi surface. We find that these unconventional behaviors may be explained by the interplay between the mobility edge and the van Hove singularity, which results in the formation of coherent cyclotron orbits emerging at the diffusive bound. Our results call for further study on the electron correlation effect of the van Hove singularity.

cond-mat.str-el↗

arXiv2024

The discovery of three-dimensional Van Hove singularity

Arising from the extreme/saddle point in electronic bands, Van Hove singularity (VHS) manifests divergent density of states (DOS) and induces various new states of matter such as unconventional superconductivity. VHS is believed to exist in one and two dimensions, but rarely found in three dimension (3D). Here, we report the discovery of 3D VHS in a topological magnet EuCd2As2 by magneto-infrared spectroscopy. External magnetic fields effectively control the exchange interaction in EuCd2As2, and shift 3D Weyl bands continuously, leading to the modification of Fermi velocity and energy dispersion. Above the critical field, the 3D VHS forms and is evidenced by the abrupt emergence of inter-band transitions, which can be quantitatively described by the minimal model of Weyl semimetals. Three additional optical transitions are further predicted theoretically and verified in magneto-near-infrared spectra. Our results pave the way to exploring VHS in 3D systems and uncovering the coordination between electronic correlation and the topological phase.

cond-mat.mtrl-sci↗

arXiv2024

Scalable Community Search with Accuracy Guarantee on Attributed Graphs

Given an attributed graph $G$ and a query node $q$, \underline{C}ommunity \underline{S}earch over \underline{A}ttributed \underline{G}raphs (CS-AG) aims to find a structure- and attribute-cohesive subgraph from $G$ that contains $q$. Although CS-AG has been widely studied, they still face three challenges. (1) Exact methods based on graph traversal are time-consuming, especially for large graphs. Some tailored indices can improve efficiency, but introduce nonnegligible storage and maintenance overhead. (2) Approximate methods with a loose approximation ratio only provide a coarse-grained evaluation of a community's quality, rather than a reliable evaluation with an accuracy guarantee in runtime. (3) Attribute cohesiveness metrics often ignores the important correlation with the query node $q$. We formally define our CS-AG problem atop a $q$-centric attribute cohesiveness metric considering both textual and numerical attributes, for $k$-core model on homogeneous graphs. We show the problem is NP-hard. To solve it, we first propose an exact baseline with three pruning strategies. Then, we propose an index-free sampling-estimation-based method to quickly return an approximate community with an accuracy guarantee, in the form of a confidence interval. Once a good result satisfying a user-desired error bound is reached, we terminate it early. We extend it to heterogeneous graphs, $k$-truss model, and size-bounded CS. Comprehensive experimental studies on ten real-world datasets show its superiority, e.g., at least 1.54$\times$ (41.1$\times$ on average) faster in response time and a reliable relative error (within a user-specific error bound) of attribute cohesiveness is achieved.

cs.SI↗

arXiv2024

DeepH-2: Enhancing deep-learning electronic structure via an equivariant local-coordinate transformer

Deep-learning electronic structure calculations show great potential for revolutionizing the landscape of computational materials research. However, current neural-network architectures are not deemed suitable for widespread general-purpose application. Here we introduce a framework of equivariant local-coordinate transformer, designed to enhance the deep-learning density functional theory Hamiltonian referred to as DeepH-2. Unlike previous models such as DeepH and DeepH-E3, DeepH-2 seamlessly integrates the simplicity of local-coordinate transformations and the mathematical elegance of equivariant neural networks, effectively overcoming their respective disadvantages. Based on our comprehensive experiments, DeepH-2 demonstrates superiority over its predecessors in both efficiency and accuracy, showcasing state-of-the-art performance. This advancement opens up opportunities for exploring universal neural network models or even large materials models.

physics.comp-ph↗

arXiv2023

Efficient and Private Federated Trajectory Matching

Federated Trajectory Matching (FTM) is gaining increasing importance in big trajectory data analytics, supporting diverse applications such as public health, law enforcement, and emergency response. FTM retrieves trajectories that match with a query trajectory from a large-scale trajectory database, while safeguarding the privacy of trajectories in both the query and the database. A naive solution to FTM is to process the query through Secure Multi-Party Computation (SMC) across the entire database, which is inherently secure yet inevitably slow due to the massive secure operations. A promising acceleration strategy is to filter irrelevant trajectories from the database based on the query, thus reducing the SMC operations. However, a key challenge is how to publish the query in a way that both preserves privacy and enables efficient trajectory filtering. In this paper, we design GIST, a novel framework for efficient Federated Trajectory Matching. GIST is grounded in Geo-Indistinguishability, a privacy criterion dedicated to locations. It employs a new privacy mechanism for the query that facilitates efficient trajectory filtering. We theoretically prove the privacy guarantee of the mechanism and the accuracy of the filtering strategy of GIST. Extensive evaluations on five real datasets show that GIST is significantly faster and incurs up to 3 orders of magnitude lower communication cost than the state-of-the-arts.

cs.DB↗

arXiv2023

DiskANN++: Efficient Page-based Search over Isomorphic Mapped Graph Index using Query-sensitivity Entry Vertex

Given a vector dataset $\mathcal{X}$ and a query vector $\vec{x}_q$, graph-based Approximate Nearest Neighbor Search (ANNS) aims to build a graph index $G$ and approximately return vectors with minimum distances to $\vec{x}_q$ by searching over $G$. The main drawback of graph-based ANNS is that a graph index would be too large to fit into the memory especially for a large-scale $\mathcal{X}$. To solve this, a Product Quantization (PQ)-based hybrid method called DiskANN is proposed to store a low-dimensional PQ index in memory and retain a graph index in SSD, thus reducing memory overhead while ensuring a high search accuracy. However, it suffers from two I/O issues that significantly affect the overall efficiency: (1) long routing path from an entry vertex to the query's neighborhood that results in large number of I/O requests and (2) redundant I/O requests during the routing process. We propose an optimized DiskANN++ to overcome above issues. Specifically, for the first issue, we present a query-sensitive entry vertex selection strategy to replace DiskANN's static graph-central entry vertex by a dynamically determined entry vertex that is close to the query. For the second I/O issue, we present an isomorphic mapping on DiskANN's graph index to optimize the SSD layout and propose an asynchronously optimized Pagesearch based on the optimized SSD layout as an alternative to DiskANN's beamsearch. Comprehensive experimental studies on eight real-world datasets demonstrate our DiskANN++'s superiority on efficiency. We achieve a notable 1.5 X to 2.2 X improvement on QPS compared to DiskANN, given the same accuracy constraint.

cs.IR↗

arXiv2023

Routing-Guided Learned Product Quantization for Graph-Based Approximate Nearest Neighbor Search

Given a vector dataset $\mathcal{X}$, a query vector $\vec{x}_q$, graph-based Approximate Nearest Neighbor Search (ANNS) aims to build a proximity graph (PG) as an index of $\mathcal{X}$ and approximately return vectors with minimum distances to $\vec{x}_q$ by searching over the PG index. It suffers from the large-scale $\mathcal{X}$ because a PG with full vectors is too large to fit into the memory, e.g., a billion-scale $\mathcal{X}$ in 128 dimensions would consume nearly 600 GB memory. To solve this, Product Quantization (PQ) integrated graph-based ANNS is proposed to reduce the memory usage, using smaller compact codes of quantized vectors in memory instead of the large original vectors. Existing PQ methods do not consider the important routing features of PG, resulting in low-quality quantized vectors that affect the ANNS's effectiveness. In this paper, we present an end-to-end Routing-guided learned Product Quantization (RPQ) for graph-based ANNS. It consists of (1) a \textit{differentiable quantizer} used to make the standard discrete PQ differentiable to suit for back-propagation of end-to-end learning, (2) a \textit{sampling-based feature extractor} used to extract neighborhood and routing features of a PG, and (3) a \textit{multi-feature joint training module} with two types of feature-aware losses to continuously optimize the differentiable quantizer. As a result, the inherent features of a PG would be embedded into the learned PQ, generating high-quality quantized vectors. Moreover, we integrate our RPQ with the state-of-the-art DiskANN and existing popular PGs to improve their performance. Comprehensive experiments on real-world large-scale datasets (from 1M to 1B) demonstrate RPQ's superiority, e.g., 1.7$\times$-4.2$\times$ improvement on QPS at the same recall@10 of 95\%.

cs.IR↗

arXiv2023

Absence of metallicity and bias-dependent resistivity in low-carrier-density EuCd2As2

EuCd2As2 was theoretically predicted to be a minimal model of Weyl semimetals with a single pair of Weyl points in the ferromagnet state. However, the heavily p-doped EuCd2As2 crystals in previous experiments prevent direct identification of the semimetal hypothesis. Here we present a comprehensive magneto-transport study of high-quality EuCd2As2 crystals with ultralow bulk carrier density (10^13 cm-3). In contrast to the general expectation of a Weyl semimetal phase, EuCd2As2 shows insulating behavior in both antiferromagnetic and ferromagnetic states as well as surface-dominated conduction from band bending. Moreover, the application of a dc bias current can dramatically modulate the resistance by over one order of magnitude, and induce a periodic resistance oscillation due to the geometric resonance. Such nonlinear transport results from the highly nonequilibrium state induced by electrical field near the band edge. Our results suggest an insulating phase in EuCd2As2 and put a strong constraint on the underlying mechanism of anomalous transport properties in this system.

cond-mat.mes-hall↗