arXiv subjects

Hong Jiang

Publications and source records attributed to Hong Jiang.

At least 19 recordsLinked to original sources

arXiv2026

Non-Hermitian quantum phase transitions in the XY model induced by staggered imaginary Dzyaloshinskii--Moriya interaction

We investigate non-Hermitian quantum phase transitions driven by staggered imaginary Dzyaloshinskii--Moriya (DM) interactions in a transverse-field $XY$ chain. By virtue of a staggered nonunitary transformation, we exactly diagonalize the Hamiltonian. For $D<1$, this procedure maps the non-Hermitian model onto a standard Hermitian $XY$ chain, allowing analytical derivation of the full phase boundaries. The parameter line $D=1$ forms an exceptional boundary with coalesced quasiparticle eigenvalues and eigenvectors, while the entire $D>1$ regime falls into the $\mathcal{RT}$-symmetry-broken phase containing two distinct $z$-ferromagnetic phases. We examine common quantum-information probes and show that conventional measures, such as entanglement entropy, quantum discord, and quantum coherence, fail to capture the $\mathcal{RT}$ symmetry-breaking transition. To address this deficiency, we propose a novel coherence measure $\widetilde{\mathrm{QC}}_{\max}^{\rm LR}$ based on $\mathcal{RT}$ symmetry and complex-conjugate eigenpair correlations. Embedding intrinsic non-Hermitian information of left and right eigenstates, $\widetilde{\mathrm{QC}}_{\max}^{\rm LR}$ reliably identifies the $\mathcal{RT}$ symmetry-breaking transition and accurately resolves all magnetic phase boundaries.

quant-ph↗

arXiv2026

Accelerating ab initio spin-phonon relaxation simulation of single-ion magnets by quantum embedding and spatial truncation

Single-ion magnets (SIMs) show promise for high-density storage and quantum computing, but predicting spin-phonon coupling (SPC) and magnetic relaxation remains challenging due to the need for numerous non-equilibrium multiconfigurational calculations. Recent advances in quantum embedding methods offer a potential route to address this issue. In this work, density matrix embedding theory (DMET) combined with complete active space self-consistent field (CASSCF) is benchmarked for the static magnetic properties and spin-phonon coupling (SPC) parameters of Dy$^{3+}$-based SIMs. The method is further combined with spatial truncation to calculate SPC parameters for these SIMs. It is found that truncating the space near the first coordination sphere reduces the computational cost dramatically while keeping the errors in the effective energy barrier and relaxation time-scale negligible. This study provides a practical calculation framework for accurate and efficient spin dynamics prediction, laying the foundation for the rational design of high-performance single-molecule magnets.

physics.chem-ph↗

arXiv2026

Lee-Yang zeros of modulated XY spin chains with Dzyaloshinskii-Moriya interaction: zero-contour topology and quantum phase-diagram reconstruction

We investigate the Lee--Yang zeros (LYZ) of inhomogeneous anisotropic XY spin chains with Dzyaloshinskii--Moriya (DM) interactions in the complex transverse-field plane, focusing on their fundamental connection to quantum phase transitions. We systematically study uniform chains, period-2 and period-3 modulated chains, and Fibonacci quasiperiodic chains of lengths 5 and 8. As the DM coupling strength $D$ increases, the LYZ exhibit qualitatively distinct topological evolutions on the complex plane: the complex zeros of the uniform chain collapse toward the real axis; periodic chains feature either bifurcation of closed zero contours before all zeros become real or a single re-emergence of complex zeros; quasiperiodic chains exhibit repeated annihilation and revival of complex zeros. Analytical derivations demonstrate that this diverse behavior originates from DM-induced shifts of folded bands and the modulation of zero positions by anisotropic pairing at particle--hole band crossings. Our results establish a direct correspondence between LYZ topology and band deformation: isolated contact points of zeros with the real axis correspond to discrete quantum critical fields, while continuous real-zero intervals directly identify gapless chiral phases. Accordingly, beyond locating phase boundaries, LYZ can distinguish characteristic phases and serve as an intuitive probe for band folding and phase diagram restructuring.

quant-ph↗

arXiv2026

Quantum phase transitions and quantum-information characterization of a non-Hermitian XY chain with staggered Dzyaloshinskii--Moriya interactions

We investigate the phase diagram of a non-Hermitian XY chain with staggered Dzyaloshinskii--Moriya (DM) interactions using quantum-information methods. Through an alternating local-spin-rotation transformation, the model is mapped onto a standard DM-free XY chain, and the resulting transformed Hamiltonian exhibits rotation--time-reversal ($\RT$) symmetry. Combining correlation-function analysis with known phase results of the standard XY chain, we construct the phase diagram for the present system. We further adopt quantum-information-based quantities to systematically assess their performance in characterizing quantum phase transitions within this non-Hermitian system. Our results show that single-site entanglement can only detect the Luttinger-liquid (LL)--paramagnetic (PM) phase transition, which corresponds to the exceptional boundary across which $\RT$ symmetry is restored. In contrast, quantum discord (QD) and quantum coherence (QC) identify both phase boundaries: in addition to locating the exceptional boundary, their second-order derivatives resolve the ferromagnetic (FM)--LL transition inside the $\RT$-broken region. Moreover, measurements of QC along different directions capture the DM-induced relative rotation between the two sublattices, thereby distinguishing the staggered-DM chain from a zero-DM chain with identical effective parameters.

quant-ph↗

arXiv2026

M$^3$R-Bench: A Unified Benchmark for Evidence-Grounded Multimodal Metaphor Understanding

Metaphor enables the understanding of abstract concepts through cross-domain mappings while conveying affective attitudes. In multimodal scenarios, visual and textual information jointly construct Target--Source mappings, requiring both conceptual understanding and cross-modal reasoning. However, existing benchmarks mainly evaluate metaphor understanding through isolated subtasks and lack evidence-grounded explanations, making it difficult to assess whether models establish mappings grounded in visual and textual cues.To address these limitations, we introduce M$^3$R-Bench, a unified and evidence-grounded benchmark containing 1,000 image--text instances with human-verified annotations. Guided by Conceptual Metaphor Theory and theories of nonliteral language understanding, M$^3$R-Bench provides joint annotations for metaphor occurrence, Target--Source mapping, sentiment, and stage-wise explanations following ``evidence identification--mapping establishment--sentiment inference.''Evaluations on M$^3$R-Bench reveal that existing models often overlook visual evidence, rely on superficial textual cues, and produce inaccurate Target--Source mappings, exposing a cross-modal evidence--mapping mismatch. To address this mismatch, we propose M$^3$R-Reasoner, which combines curriculum-based reasoning supervision with task-aware reinforcement learning to align model reasoning with metaphor interpretation. Experiments show that, with only an 8B-parameter backbone, M$^3$R-Reasoner outperforms larger proprietary MLLMs across four unified-task metrics and improves Visual Evidence and Sentiment Justification scores over GPT-5.5 by 28.45 and 30.11 points, respectively, while surpassing Claude-Sonnet-4.6 by 8.00 points in mean rubric score. The dataset and code are available at https://github.com/hongshi4/M3R-Bench.

cs.CL↗

arXiv2026

Activation-Guided Neuron Intervention to Induce Alzheimer's-Related Computational Language Phenotypes in a Large Language Model

Changes in spontaneous speech provide an early signal of cognitive dysfunction in Alzheimer's disease (AD) that large language models (LLMs) can detect. However, detection alone cannot establish whether the underlying model representations contribute functionally to behavior. We introduce an activation-guided intervention framework using Qwen3-8B. The framework identifies feed-forward neurons with higher activation rates for AD than control transcripts and modulates their output contributions during generation by scaling the corresponding down-projection weights. This yielded nine edited variants differing in intervention direction, magnitude, and scope. The original and edited models completed the same 12-turn neuropsychological battery, assessed through blinded human ratings and computational linguistic measures. Amplifying AD-associated neurons produced graded impairments in story recall, verbal fluency, working memory, procedural discourse, scene construction, and coreference resolution. Attenuation largely preserved performance and selectively improved several outcomes. Amplification also reduced lexical surprisal, idea density, syntactic complexity, and discourse quantity, broadly paralleling changes reported in human AD speech. These findings show that neurons identified solely from clinical language differences can influence behavior across multiple cognitive domains, providing proof of concept for an AD-related computational phenotype and a controlled framework for experimentally examining links between language and broader cognitive dysfunction.

cs.CL↗

arXiv2026

State-Averaged Density Matrix Embedding Theory for Local Excitations

Density matrix embedding theory (DMET) provides an elegant framework in quantum chemistry to describe local properties of chemical systems that allows a high-level method being used to solve an embedded subsystem constructed based on a low-level treatment of the whole system, and therefore achieves a balance between efficiency and accuracy. However, because the embedded subspace in DMET is typically constructed from the mean-field ground state Slater determinant, the resulting bath orbitals inherently favor the ground state, leading to unbalanced descriptions of ground and excited states for local excitations. In this work, we first demonstrate the starting-point dependence of DMET in excitation energy calculations, and then generalize original ground-state based DMET by extending the starting point from the single Slater determinant to state-averaged (SA) complete active space self-consistent field (CASSCF), hence termed as SA-DMDT. In calculations of magnetic anisotropy and excitation energies of transition metal and lanthanide complexes, SA-DMET shows significant improvement in accuracy compared to the single-state DMET. Configuration-averaged Hartree-Fock (CAHF), which is equivalent to SA-CASSCF when all states in the chosen active space are equally averaged, is found to give comparable accuracy as a DMET starting point, thus offering a more efficient choice for state-averaged embedding. Finally, the recently proposed non-orthongal atomic-orbital-based DMET (AO-DMET) is tested on various systems and gives very promising results in all cases. These results establish SA-DMET, especially in combination with AO-DMET and CAHF, as a robust and efficient embedding framework for local excited states in strongly correlated metal complexes.

physics.chem-ph↗

arXiv2026

UniGeo: Unifying Geometric Guidance for Camera-Controllable Image Editing via Video Models

Camera-controllable image editing aims to synthesize novel views of a given scene under varying camera poses while strictly preserving cross-view geometric consistency. However, existing methods typically rely on fragmented geometric guidance, such as only injecting point clouds at the representation level despite models containing multiple levels, and are mainly based on image diffusion models that operate on discrete view mappings. These two limitations jointly lead to geometric drift and structural degradation under continuous camera motion. We observe that while leveraging video models provides continuous viewpoint priors for camera-controllable image editing, they still struggle to form stable geometric understanding if geometric guidance remains fragmented. To systematically address this, we inject unified geometric guidance across three levels that jointly determine the generative output: representation, architecture, and loss function. To this end, we propose UniGeo, a novel camera-controllable editing framework. Specifically, at the representation level, UniGeo incorporates a frame-decoupled geometric reference injection mechanism to provide robust cross-view geometry context. At the architecture level, it introduces geometric anchor attention to align multi-view features. At the loss function level, it proposes a trajectory-endpoint geometric supervision strategy to explicitly reinforce the structural fidelity of target views. Comprehensive experiments across multiple public benchmarks, encompassing both extensive and limited camera motion settings, demonstrate that UniGeo significantly outperforms existing methods in both visual quality and geometric consistency.

cs.CV↗

arXiv2026

Impurity-Preserved Density Matrix Embedding Theory for Local Electronic Excitations

Density matrix embedding theory (DMET), which is usually based on a Schmidt decomposition of Slater determinants by partitioning the full system into impurity and environment in terms of local orthogonal orbitals (LOs), has demonstrated considerable promise in electronic structure studies because it enables the extraction of local properties using a high-level solver within an embedded impurity subsystem with greatly reduced degrees of freedom, thereby achieving a balance between accuracy and computational cost. However, its application to excited states of strongly correlated systems, such as lanthanide complexes, remains challenging because the errors relative to all-electron results can still be significant. Motivated by the success of the previously developed atomic orbitals (AOs) based DMET framework (Ai, Li, and Jiang, Phys. Rev. Lett. 2025, 135, 026502.), termed AO-DMET, which attains improved accuracy by constructing the embedded subspace based on a non-orthogonal decomposition of the Slater determinant in terms of AOs, we propose a new LO-based partitioning scheme that fully preserves the impurity space spanned by corresponding AOs and can achieve accuracy closely matching that of AO-DMET while retaining the orthogonal partition and its associated computational efficiency. The performance of the proposed method is demonstrated through excitation energy calculations for several representative lanthanide complexes. These results establish an efficient and accurate partitioning scheme for describing excited states in strongly correlated systems within the DMET framework.

physics.chem-ph↗

arXiv2026

The grip of grammar on meaning uncertainty: cross-linguistic evidence, neural correlates, and clinical relevance

Isolated word meanings are inherently uncertain. This uncertainty reduces when they are combined and anchored in context. We propose that grammar compresses meaning uncertainty cross-linguistically, which is reflected in brain and selectively disrupted in disorders. Compression was operationalized as the relative difference between non-contextual surprisal estimated from lexical frequency, and contextual surprisal from grammar-sensitive models. In narratives from 20 languages, contextual surprisal reduced frequency-based surprisal. This reduction closely tracked the surprisal cost of reversing word order, and scaled with richer, non-redundant lexis as organized by more complex but optimal dependency structure. During fMRI, surprisal and its reduction explained BOLD activity for comprehension and production in overlapping but distinct regions. Uncertainty reduction was significantly attenuated in aphasia, dementia, and schizophrenia, but remained intact where primary deficit is not language. These findings position uncertainty reduction via grammar as a foundational concept that illuminates principles, brain basis, and disruptions of language.

cs.CL↗

arXiv2026

Roadmap on Advancements of the FHI-aims Software Package

Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, reliable predictions are unlikely at any level that follows. The software package FHI-aims has proven to be a game changer for accurate free-energy calculations because of its scalability, numerical precision, and its efficient handling of density functional theory (DFT) with hybrid functionals and van der Waals interactions. It treats molecules, clusters, and extended systems (solids and liquids) on an equal footing. Besides DFT, FHI-aims also includes quantum-chemistry methods, descriptions for excited states and vibrations, and calculations of various types of transport. Recent advancements address the integration of FHI-aims into an increasing number of workflows and various artificial intelligence (AI) methods. This Roadmap describes the state-of-the-art of FHI-aims and advancements that are currently ongoing or planned.

cond-mat.mtrl-sci↗

arXiv2026

Photon-echo synchronization and quantum state transfer in short quantum links

The short quantum link regime, where the photon travel time $τ$ is comparable to the emitter lifetime $1/γ$, is experimentally relevant but theoretically underexplored: existing few-mode descriptions lose validity as retardation and multimode effects become significant. Using a Delay Differential Equation (DDE) framework that admits exact analytical solutions from the single-mode cavity limit to the multimode waveguide continuum, we show that emitters coupled to a short link spontaneously lock into self-synchronized Rabi oscillations driven by coherent photon echoes, breaking the link's discrete time-displacement symmetry. The resulting spectral structure -- persistent quasi-dark states and vacuum Rabi splitting, including in the superstrong coupling regime -- enables efficient quantum state transfer (QST): benchmarking three protocols across the full $γτ$ parameter space, we find that STIRAP exploits the quasi-dark-state structure to achieve a quadratic infidelity floor $\mathcal{O}((γτ)^2)$, outperforming both SWAP (linear error $\mathcal{O}(γτ)$) and wavepacket engineering for $γτ\lesssim 1.44$, even in regimes where retardation cannot be neglected. These results establish photon-echo synchronization as an engineering resource for quantum state transfer, with DDE modeling providing the exact analytical predictions needed to design and optimize short-link experiments on current circuit-QED hardware.

quant-ph↗

arXiv2026

ODIN-Based CPU-GPU Architecture with Replay-Driven Simulation and Emulation

Integration of CPU and GPU technologies is a key enabler for modern AI and graphics workloads, combining control-oriented processing with massive parallel compute capability. As systems evolve toward chiplet-based architectures, pre-silicon validation of tightly coupled CPU-GPU subsystems becomes increasingly challenging due to complex validation framework setup, large design scale, high concurrency, non-deterministic execution, and intricate protocol interactions at chiplet boundaries, often resulting in long integration cycles. This paper presents a replay-driven validation methodology developed during the integration of a CPU subsystem, multiple Xe GPU cores, and a configurable Network-on-Chip (NoC) within a foundational SoC building block targeting the ODIN integrated chiplet architecture. By leveraging deterministic waveform capture and replay across both simulation and emulation using a single design database, complex GPU workloads and protocol sequences can be reproduced reliably at the system level. This approach significantly accelerates debug, improves integration confidence, and enables end-to-end system boot and workload execution within a single quarter, demonstrating the effectiveness of replay-based validation as a scalable methodology for chiplet-based systems.

cs.DC↗

arXiv2026

A Graph Neural Network for the Era of Large Atomistic Models

Foundation models, or large atomistic models (LAMs), aim to universally represent the ground-state potential energy surface (PES) of atomistic systems as defined by density functional theory (DFT). The scaling law is pivotal in the development of large models, suggesting that their generalizability in downstream tasks consistently improves with increased model size, expanded training datasets, and larger computational budgets. In this study, we present DPA3, a multi-layer graph neural network founded on line graph series (LiGS), designed explicitly for the era of LAMs. We demonstrate that the generalization error of the DPA3 model adheres to the scaling law. The scalability in the number of model parameters is attained by stacking additional layers within DPA3. Additionally, the model employs a dataset encoding mechanism that decouples the scaling of training data size from the model size within its multi-task training framework. When trained as problem-oriented potential energy models, the DPA3 model exhibits superior accuracy in the majority of benchmark cases, encompassing systems with diverse features, including molecules, bulk materials, surface and cluster catalysts, two-dimensional materials, and battery materials. When trained as a LAM on the OpenLAM-v1 dataset, the DPA-3.1-3M model exhibits lowest overall zero-shot generalization error across 12 downstream tasks spanning a diverse array of research domains. This performance suggests superior accuracy as an out-of-the-box potential model, requiring minimal fine-tuning data for downstream scientific applications.

physics.comp-ph↗

arXiv2026

Time-delayed collective dynamics in waveguide QED and bosonic quantum networks

This work introduces a theoretical framework to model the collective dynamics of quantum emitters in highly non-Markovian environments, interacting through the exchange of photons with significant retardations. The formalism consists on a set of coupled delay differential equations for the emitter's polarizations $σ^\pm_i$, supplemented by input-output relations that describe the field mediating the interactions. These equations capture the dynamics of both linear (bosonic) and nonlinear (two-level) emitter arrays. It is exact in some limits$-$e.g., bosonic emitters or generic systems with up to one collective excitation$-$and can be integrated to provide accurate results for larger numbers of photons. These equations support a study of collective spontaneous emission of emitter arrays in open waveguide-QED environments. This study uncovers an effect we term cascaded super- and sub-radiance, characterized by light-cone-limited propagation and increasingly correlated photon emission across distant emitters. The collective nature of this dynamics for two-level systems is evident both in the enhancement of collective emission rates, as well as in a superradiant burst with a faster than linear growth. While these effects should be observable in existing circuit QED devices or slight generalizations thereof, the formalism put forward in this work can be extended to model other systems such as network of quantum emitters or the generation of correlated photon states.

quant-ph↗

arXiv2025

Aurora: Architecting Argonne's First Exascale Supercomputer for Accelerated Scientific Discovery

Aurora is Argonne National Laboratory's pioneering Exascale supercomputer, designed to accelerate scientific discovery with cutting-edge architectural innovations. Key new technologies include the Intel(TM) Xeon(TM) Data Center GPU Max Series (code-named Sapphire Rapids) with support for High Bandwidth Memory (HBM), alongside the Intel(TM) Data Center GPU Max Series (code-named Ponte Vecchio) on each compute node. Aurora also integrates the Distributed Asynchronous Object Storage (DAOS), a novel exascale storage solution, and leverages Intel's oneAPI programming environment. This paper presents an in-depth exploration of Aurora's node architecture, the HPE Slingshot interconnect, the supporting software ecosystem, and DAOS. We provide insights into standard benchmark performance and applications readiness efforts via Aurora's Early Science Program and the Exascale Computing Project.

cs.DC↗

arXiv2025

ABACUS: An Electronic Structure Analysis Package for the AI Era

ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and molecular dynamics functions and is compatible with both plane-wave basis sets and numerical atomic orbital basis sets. ABACUS serves as a platform that facilitates the integration of various electronic structure methods, such as Kohn-Sham DFT, stochastic DFT, orbital-free DFT, and real-time time-dependent DFT, etc. In addition, with the aid of high-performance computing, ABACUS is designed to perform efficiently and provide massive amounts of first-principles data for generating general-purpose machine learning potentials, such as DPA models. Furthermore, ABACUS serves as an electronic structure platform that interfaces with several AI-assisted algorithms and packages, such as DeePKS-kit, DeePMD, DP-GEN, DeepH, DeePTB, HamGNN, etc.

cond-mat.mtrl-sci↗

arXiv2025

Rapid Single-Cell Measurement of Transient Transmembrane Water Flow under Osmotic Gradient

While aquaporin (AQP) gating dynamically regulates transmembrane water permeability for cellular homeostasis, its mechanisms remain poorly understood compared to ion channels. A central challenge is the lack of methods to measure water flow through AQPs with the spatiotemporal resolution and sensitivity equivalent to patch-clamp recordings of ion fluxes, a limitation stemming from the electrically silent nature of water transport. We introduce a technique to rapidly detect cytoplasmic flows induced by osmotic-gradient-driven transmembrane water transport in single adherent human cancer cells. This approach enables direct measurement of AQP-mediated water transport and provides a powerful tool to investigate AQP function and regulation and cytoplasmic flow dynamics at the single-cell level.

physics.bio-ph↗