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Jie Zhao

Publications and source records attributed to Jie Zhao.

At least 19 recordsLinked to original sources

MV-STRIDE: Enabling MLLMs to Master Multi-View Spatial Reasoning via Hierarchical Capability Modeling

Despite the rapid progress of Multimodal Large Language Models (MLLMs) in 2D vision-language tasks, robust multi-view spatial reasoning remains a fundamental bottleneck due to the lack of structured 3D cognitive pathways in existing datasets. To address this, we introduce MV-STRIDE, a Multi-View hierarchical SpaTial Reasoning dataset with Interdependent and DEcomposed capabilitiEs. Moving beyond flat data structures, MV-STRIDE explicitly models the dependency relationships between foundational perception, scene understanding, and complex contextual reasoning, providing a coherent learning pathway aligned with human spatial cognition. We develop a systematic QA generation pipeline leveraging diverse 3D scene sources that enforces cross-view dependency constraints to prevent single-view solvability, generating multi-level spatial reasoning tasks supported by cognitively grounded chain-of-thought supervision for complex inference. Extensive evaluations demonstrate that our multi-stage training framework based on our hierarchical dataset achieves state-of-the-art performance across multiple spatial reasoning benchmarks, notably the multi-view oriented MMSI-Bench. Our approach enables MLLMs to maintain robust, 3D-consistent spatial reasoning across diverse viewpoints. The code and dataset are available at https://co1dspring.github.io/MV-STRIDE/.

cs.CV

RoofGS: Roofline-Guided End-to-End Acceleration of 3D Gaussian Splatting

3D Gaussian Splatting (3DGS) enables real-time novel-view synthesis but remains limited on GPUs at high resolutions. Through a stage-wise Roofline characterization, we identify two distinct hardware bottlenecks: global memory traffic dominates the front end, whereas instruction throughput limits rasterization. Guided by this analysis, we develop RoofGS, a rendering framework that applies bottleneck-specific optimizations rather than generic kernel acceleration. For the memory-bound front end, we design a resolution-adaptive quantized depth sorting key that compresses each key to 32 bits. For the compute-bound rasterizer, we introduce a range-aware bit-level fast exponential approximation tailored to the bounded exponent range after opacity culling, with a derived per-pixel error bound. These two core techniques are complemented by additional optimizations (kernel fusion, compact attribute storage, culling, dual-pixel evaluation) that additionally reduce memory traffic and improve instruction-level parallelism. Experiments show that RoofGS achieves a 10.1$\times$ end-to-end speedup over 3DGS at 4K on an RTX 4090, increasing throughput from 61 to 616 FPS, with only a 0.028 dB PSNR loss.

cs.CV

Reaction-Transformation-Aware Flow Matching for Generalizable Transition State Generation

Transition-state (TS) structures define the energetic barriers and mechanistic pathways of elementary chemical reactions, yet their identification remains computationally demanding because conventional saddle-point searches require expensive quantum-mechanical calculations. Recent machine-learning approaches have accelerated TS generation by predicting structures from reaction endpoint information, but they primarily learn geometric correspondence between endpoints and TSs, leaving the structural transformations underlying elementary reactions implicitly represented. To address this limitation, we introduce TransTS, a reaction-transformation-aware framework for generalizable TS generation from atom-mapped reactant-product pairs. TransTS explicitly learns atom-level structural transformations between reaction endpoints and integrates them with a unified atom-aligned geometric representation of reactants, TSs and products, enabling reaction-aware equivariant generation of TS geometries. TransTS is designed to provide reliable TS initial guesses for subsequent quantum-chemical refinement, where generated structures are evaluated not only by geometric similarity but also by their ability to converge to validated saddle points and recover the intended reaction pathways. Across IID and zero-shot OOD benchmarks, TransTS demonstrates improved TS initialization quality, with particularly strong generalization to unseen reaction distributions. On the challenging GDB-10-rxn and GDB-17-rxn OOD benchmarks, TransTS generates TS candidates that more frequently converge to validated saddle points and recover the intended elementary reactions after refinement than existing approaches under the same training regime. Scaling reaction coverage and model capacity further improves both geometric fidelity and refinement outcomes.

physics.chem-ph

Searching for Plans You Can Actually Build: A Realizability-Aware Full-Space Optimizer for MoE Training and Serving

Mixture-of-Experts (MoE) systems split a program's plan space in two: the space a cost model can rank, and the smaller space a real toolchain can actually build. Automatic optimizers rank the first and silently assume the two coincide -- so they can return a plan that is optimal on paper and impossible to emit. We present moefs, a realizability-aware full-space optimizer for MoE training and serving that makes deployment realizability a first-class search constraint. moefs closes a three-tier search over parallelism, schedule, and kernels; it emits both a Megatron training stack and an SGLang serving stack from a single plan; and it prices, rather than forbids, the realization overheads it measures. We evaluate across two hardware generations. On 2x RTX4090, the searched training plan edges the strongest hand-tuned baseline by +0.9% (and clears the 0.98x acceptance bar by +2.9%); on 8x H800, the searched serving plan matches the hand-tuned configuration at a 1.0304 throughput ratio. We hold failures to the same standard: on 8x H800 training, the searched plan is a computable, honest FAIL at 0.9338 of the best hand-tuned throughput, losing on a single schedule flag. All predictions are pre-registered in a frozen, artifact-hashed adjudication file before the H800 runs, and every outcome is reported as-is.

cs.DC

EventOD: Event-Aware OD Flow Generation via LLM-Guided Semantic Modulation

Estimating origin-destination (OD) flows under disruptive events is important for disaster response and urban resilience. Existing deep OD models trained on routine mobility often degrade when extreme events abruptly alter regional functions and population activities, while retraining a new generator for each event is impractical under limited event-time supervision. We propose EventOD, an event-adaptive OD generation framework that steers a pretrained OD generator using structured event semantics. EventOD first uses a large language model to infer region-level functional and demographic control vectors from coarse event observations. It then learns two lightweight adaptation modules, AlphaNet and BetaNet, to calibrate the magnitude of these semantic shifts, and further introduces a retrieval-augmented fallback pathway for scenarios with sparse supervision. The resulting event-conditioned features are injected into a pretrained graph diffusion OD model through input-level modulation, enabling event-aware adaptation without updating generator parameters. Experiments on hurricane- and pandemic-induced mobility across U.S. counties show that EventOD consistently improves both reconstruction accuracy and distributional fidelity over strong baselines. Source code is available at https://anonymous.4open.science/r/EventOD-5C11/.

cs.AI

Breaking Bottlenecks in Solid Electrolyte Discovery with Large Artificial Intelligence Models

Solid electrolytes (SEs) are central to next-generation metal batteries, yet their discovery remains constrained by fragmented data, limited transferability of simulations, and slow experimental iteration. Unlike catalysis, where surface reactivity dominates, SEs require simultaneous optimization of bulk ion transport, defect chemistry, mechanical integrity, and interfacial stability. Here, we outline a framework for autonomous SE discovery enabled by large artificial intelligence (AI) models, including machine learning interatomic potentials (MLIPs) and large language models (LLMs). We discuss the evolution from static materials databases to dynamic, self-updating knowledge systems, the role of MLIPs in bridging density functional theory (DFT) and long-timescale ion migration, and the emergence of LLMs as engines for literature mining, hypothesis generation, and scientific reasoning. We further describe a closed-loop architecture integrating AI-driven candidate design, multiscale simulation, uncertainty-aware selection, and experimental validation. Such systems shift SE research from intuition-guided exploration to data-informed, self-improving cycles. We conclude by highlighting challenges in data standardization, interfacial complexity, and reproducibility, and we propose design principles for building autonomous laboratories for solid-state battery materials.

cond-mat.mtrl-sci

Empowering Polymeric Materials Discovery by Artificial Intelligence

Polymeric materials underpin modern technologies spanning energy storage, microelectronics, healthcare and sustainable manufacturing. Yet their rational design remains exceptionally challenging because material performance emerges from complex interactions among molecular composition, chain architecture, processing history and hierarchical structural evolution across multiple length and time scales. Consequently, polymer research has long relied on labor-intensive experimentation and fragmented modeling approaches, limiting both mechanistic understanding and innovation efficiency. Recent advances in data infrastructure, machine learning, large artificial intelligence (AI) models and laboratory automation are beginning to reshape this landscape. Rather than functioning as isolated tools, polymer databases, predictive models, AI agents and automated laboratories are increasingly converging into interconnected discovery ecosystems. As a result, the central challenge is shifting from improving predictive accuracy alone to enabling reliable decision-making, adaptive learning and seamless integration across computation, experimentation and scientific reasoning. We argue that polymer science is entering an era of autonomous discovery, in which data, simulation, reasoning and experimentation operate within self-improving feedback loops that continuously generate hypotheses, design materials, execute experiments and refine predictive models. By unifying molecular design, process optimization, experimental validation and industrial translation, such autonomous ecosystems establish a more predictive, reproducible and scalable paradigm for polymer innovation, fundamentally transforming how polymer research is conducted.

physics.chem-ph

Local-GS: Accelerating 3D Gaussian Splatting via Tile-Local Warp Coherence

3D Gaussian Splatting (3DGS) has significantly advanced real-time novel view synthesis by representing scenes as dense collections of anisotropic 3D Gaussian primitives. However, the irregular spatial distribution of Gaussians often leads to poor GPU utilization, as warp divergence and redundant computation degrade rendering performance. To address this, we present Local-GS, a warp-coherent rendering paradigm that, organizes Gaussian primitives with respect to SIMT (Single Instruction, Multiple Threads) execution boundaries rather than scene geometry. Specifically, we propose three warp-coherent stages: a hoisting stage that precomputes shared parameters at tile level, a culling stage that discards warps with no contribution, and a blending stage that replaces per-pixel branching with a uniform instruction stream. Across extensive benchmarks on multiple datasets, Local-GS improves efficiency without compromising quality. As a plug-and-play optimization, it provides additional performance gains to all tested baselines, culminating in a $7.76\times$ speedup on Deep Blending scenes.

cs.CV

DynaOD: Dynamic Origin-Destination Flow Generation with Discrete-to-Continuous Temporal Semantic Modeling

Dynamic origin-destination (OD) flow generation seeks to synthesize realistic mobility dynamics from temporal context alone, without relying on historical OD observations. A key challenge is to translate semantic temporal signals into temporally coherent OD patterns while preserving the inherent spatial heterogeneity of urban regions. We propose DynaOD, a semantic-driven framework that models temporal dynamics through two complementary perspectives: discrete directional trends that characterize qualitative shifts in urban activity patterns, and continuous temporal evolution that captures how such shifts unfold over time. By jointly encoding these temporal semantics, the framework constructs time-varying region representations that condition pretrained static OD generators in a lightweight and plug-and-play fashion. This modular design further supports scalable deployment and cross-city transferability. Extensive experiments on large-scale real-world datasets show that our method consistently outperforms representative baselines in both predictive accuracy and distributional fidelity. Code is publicly available at https://github.com/csjiezhao/DynaOD.

cs.AI

$100\pm\Delta t$ Years of Quantum Uncertainty: From Origins to Modern Insights

Heisenberg's uncertainty principle is a cornerstone of quantum mechanics, marking a decisive departure from classical physics. Conceived almost a century ago through a thought experiment showing that measuring an electron's position inevitably disturbs its momentum, it began as a deceptively simple idea that sparked countless studies and grew into the rich research field it is today. This review traces its development into a spectrum of mathematical formulations -- known as uncertainty relations -- and explores their interconnections and wide-ranging applications. We highlight its central role in quantum metrology, where it underpins strategies for extracting information from quantum systems with ever-increasing precision, and its links to multiparameter estimation and squeezed states. This review, dedicated to the centenary of the uncertainty principle, reflects on how it has deepened our understanding of quantum theory and driven practical advances, and looks ahead to a century poised for further surprising and transformative discoveries.

quant-ph

Modeling and Resource Optimization for Quantum Oracles

Quantum oracles are fundamental building blocks of many quantum algorithms, and their resource consumption directly affects performance, yet structured description and complexity analysis for their composition are still lacking. In this paper, we introduce the Framework for Oracle Recursion Modeling (FORM), a unified formal abstraction of multi-function composition in quantum oracles: it provides a structured description of the composition layer, makes its gate complexity exactly computable, and turns oracle design into an optimizable tree-construction problem. Based on this model, we propose the ShallowGrow algorithm, which constructs an oracle structure under a given ancilla budget and provably minimizes the number of function evaluations. On Boolean quadratic equation systems, ShallowGrow reduces Qiskit-measured circuit depth by 54.1% on average relative to the state-of-the-art W-cycle construction, with consistent reductions on the EPFL and ISCAS85 combinational logic networks under scarce ancilla budgets. Furthermore, pebbling-based syntheses trade space against time within the logic network of a function; ShallowGrow extends this trade-off across functions, and integrated with their published circuits it reduces the ancillary qubits of a complete oracle from one per constraint function to logarithmically many. With half as many ancillas as constraint functions, the T-count falls by a factor of 7.9 to 32 relative to the W-cycle-based construction.

quant-ph

Mixing plant for JUNO liquid scintillator: Design, construction, installation and commissioning

The most challenging part of building the Jiangmen Underground Neutrino Observatory (JUNO) is the production of 20 kilotons of ultra pure Liquid Scintillator (LS). This paper presents the design, construction, installation, and commissioning of the LS Mixing Plant, a core facility dedicated to blending the primary organic solvent (LAB) with essential functional solutes (PPO, bis-MSB, and BHT). The main purpose of the Mixing Plant is to prepare and purify the concentrated Master Solution (MS) to achieve a low radioactive contamination background. The amount of radioactive contaminants in the MS are lowered by approximately two orders of magnitude after acid and water extraction, followed by a multi-stage filtration procedure. The purified MS is mixed with LAB and then diluted into the LS for JUNO experiments. Commissioning results of the LS verify that the Mixing Plant achieved its design goal, delivering ultra pure LS that satisfies the stringent radiopurity requirements for neutrino physics.

physics.ins-det

Investigation of Nonlinear Collective Dynamics in Relativistic Heavy-Ion Collisions Using A Multi-Phase Transport Model

The nonlinear response coefficient, $\chi_{4,22}$, is a crucial observable for probing the dynamical properties of the quark-gluon plasma (QGP). While traditionally understood as a signature of medium response, recent studies suggest that $\chi_{4,22}$ also encapsulates critical information regarding the intrinsic initial-state configuration of the colliding nuclei. In this study, we utilize A Multi-Phase Transport (AMPT) model to investigate the microscopic origin and stage-by-stage development of $\chi_{4,22}$ in $^{238}$U+$^{238}$U and $^{197}$Au+$^{197}$Au collisions at $\sqrt{s_{\rm NN}} = 200$ GeV. By tracking the flow observables through the partonic cascade, quark coalescence, and hadronic rescattering phases, we map the translation of initial geometric eccentricities into final-state momentum anisotropies. Our results demonstrate that the absolute magnitude of $\chi_{4,22}$ increases continuously during the collective expansion, confirming its nature as a dynamically generated medium response. However, the comparative ratio of this coefficient between the U+U and Au+Au systems is stable across all evolutionary stages within statistical uncertainties. This indicates that the ratio approximately cancels complex evolutionary dynamics to isolate intrinsic geometric correlations present at the initial state. These findings provide compelling theoretical support and crucial insights for recent experimental efforts aiming to extract high-order nuclear structure, such as hexadecapole deformation, using nonlinear flow observables.

nucl-th

MAPRPose: Mask-Aware Proposal and Amodal Refinement for Multi-Object 6D Pose Estimation

6D object pose estimation in cluttered scenes remains challenging due to severe occlusion and sensor noise. We propose MAPRPose, a two-stage framework that leverages mask-aware correspondences for pose proposal and amodal-driven Region-of-Interest (ROI) prediction for robust refinement. In the Mask-Aware Pose Proposal (MAPP) stage, we lift 2D correspondences into 3D space to establish reliable keypoint matches and generate geometrically consistent pose hypotheses based on correspondence-level scoring, from which the top-$K$ candidates are selected. In the refinement stage, we introduce a tensorized render-and-compare pipeline integrated with an Amodal Mask Prediction and ROI Re-Alignment (AMPR) module. By reconstructing complete object geometry and dynamically adjusting the ROI, AMPR mitigates localization errors and spatial misalignment under heavy occlusion. Furthermore, our GPU-accelerated RGB-XYZ reprojection enables simultaneous refinement of all $N \times B$ pose hypotheses in a single forward pass.

cs.CV

Ultimate sensitivity of multiparameter estimation in quantum sensing with undetected photons

Quantum sensing with undetected photons is a technique where photons of one wavelength probe a sample, but information is extracted by measuring photons of another wavelength that never interacts with the sample. This has seen significant experimental advances in applications such as spectroscopy, microscopy, and bio-sensing. However, a detailed theoretical analysis using the tools of quantum metrology is currently lacking. Thus it is unclear how far away current schemes are from fundamental limits, and what the optimal measurement strategies are. We apply a multiparameter quantum estimation framework to quantify the error when estimating the unknown transmission and phase shift of a sample. The optimal measurement scheme is shown to require only a single controllable phase shift, easily implementable in existing setups. We also study how to use multipass interactions to maximise information gain. In general the optimum number of passes scales inversely with the log of the transmission of the sample. This work clarifies the metrological power of quantum sensing with undetected photons, and provides guidance for the design of experiments requiring high sensitivity.

quant-ph

DT2IT-MRM: Debiased Preference Construction and Iterative Training for Multimodal Reward Modeling

Multimodal reward models (MRMs) play a crucial role in aligning Multimodal Large Language Models (MLLMs) with human preferences. Training a good MRM requires high-quality multimodal preference data. However, existing preference datasets face three key challenges: lack of granularity in preference strength, textual style bias, and unreliable preference signals. Besides, existing open-source multimodal preference datasets suffer from substantial noise, yet there is a lack of effective and scalable curation methods to enhance their quality. To address these limitations, we propose \textbf{DT2IT-MRM}, which integrates a \textbf{D}ebiased preference construction pipeline, a novel reformulation of text-to-image (\textbf{T2I}) preference data, and an \textbf{I}terative \textbf{T}raining framework that curates existing multimodal preference datasets for \textbf{M}ultimodal \textbf{R}eward \textbf{M}odeling. Our experimental results show that DT2IT-MRM achieves new \textbf{state-of-the-art} overall performance on three major benchmarks: VL-RewardBench, Multimodal RewardBench, and MM-RLHF-RewardBench.

cs.AI

Beating three-parameter precision trade-offs with entangling collective measurements

Quantum-mechanical incompatibility, which precludes the simultaneous precise measurement of non-commuting observables, imposes fundamental limits on the rate at which classical information can be extracted. While the potential to surpass these limits using entangling collective measurements has been explored for two parameters, the regime of three or more parameters remains largely unexplored despite its fundamental and technological importance. Here, we investigate the three-parameter trade-off relations for estimating the Bloch vector components of a qubit, comparing conventional individual measurements with entangling collective measurements. We theoretically derive and experimentally implement optimal collective measurements on two identically prepared qubits using a programmable photonic circuit. Our experimental results demonstrate a clear violation of the entanglement-free trade-off relation -- by an average of 16 standard deviations -- achieving a tomography precision beyond the reach of any individual measurement scheme. This work directly confirms that optimal collective measurements can surpass the fundamental quantum limits of individual schemes in a three-parameter setting -- thereby deepening our understanding of quantum uncertainty relations beyond the two-parameter regime and providing a clear strategy to overcome the precision trade-offs imposed by quantum incompatibility.

quant-ph

Isolation of photon-nuclear interaction backgrounds in the search for the chiral magnetic effect in relativistic heavy-ion collisions

The chiral magnetic effect (CME) in relativistic heavy-ion collisions originates from a chirality imbalance among quarks within metastable QCD vacuum domains and may be linked to $CP$ violation, which is believed to play a crucial role in the matter-antimatter asymmetry of the universe. Over the past two decades, extensive experimental efforts at RHIC and the LHC have been devoted to the search for evidence of the CME. Recent advances have greatly improved our understanding of background contributions that can mimic CME-like signals. In particular, analyses utilizing techniques designed to suppress flow-related backgrounds indicate that the CME signal at RHIC, if present, is small. To further investigate potential background sources, particularly those associated with strong electromagnetic fields, we estimate the contribution from coherent photon-nuclear interactions. These interactions are driven by intense electromagnetic fields produced in ultrarelativistic heavy-ion collisions, with cross sections that scale with the field strength. Notably, the polarization of the incident photons is aligned with the electric field, which is oriented along the impact parameter direction and perpendicular to the magnetic field. Consequently, such processes can generate charge-dependent correlations that mimic key features of the CME signal, yet originate from different physics mechanisms and are distinct from flow-induced backgrounds. In this study, we quantitatively assess the influence of these coherent photon-nuclear interactions on the precision measurement of the CME, aiming to improve the separation of the genuine CME signal from these background contributions.

hep-ph