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Zixu Wang

Publications and source records attributed to Zixu Wang.

At least 19 recordsLinked to original sources

Extracting inter-nuclear distances in the oxygen molecule interacting with an XFEL-pulse: a fundamental system for understanding Coulomb explosion imaging

We investigate the interaction of O$_{2}$ with an X-ray Free Electron laser (XFEL) pulse of short duration. We consider a photon energy of 570 eV, which allows for the formation of molecular states with up to two core holes. We compute the sum of the final kinetic energies, i.e. the kinetic energy release (KER) of the atomic fragments for different fragmentation channels. We demonstrate that with the knowledge of the potential energy curves the equilibrium inter-nuclear distance of O$_{2}$ is best extracted from the O$^{+}$+O$^{+}$ channel and not from higher-charged channels such as O$^{2+}$+O$^{2+}$. This challenges our current understanding of Coulomb explosion imaging, where from just applying quasi-classical dynamics one expects that the equilibrium inter-nuclear distance of molecules is best extracted from higher-charged fragmentation channels. On the other hand, we show that the KER of the O$^{+}$+O$^{+}$ channel is inconsistent with the one obtained by just calculating the Coulomb repulsion of the atomic fragments resulting from molecular dissociation.

physics.atom-ph

Bridging Stakeholder and Product Requirements: An Empirical Study of Requirement Engineering in the Automotive Industry

The automotive industry's shift toward software-driven systems has increased system complexity and raised the importance of effective requirement intake and refinement for correctness, compliance, development speed, and systematic reuse. Although prior research has proposed techniques for improving requirement quality, limited empirical evidence exists on how stakeholder-level requirements are evaluated, refined, and transformed into product-level requirements in industrial automotive practice. This paper presents a large-scale empirical study based on an industrial dataset from Infineon, comprising 8,082 stakeholder requirements and 5,870 product requirements enriched with traceability links, decision outcomes, deviation rationales, and domain references. Using a mixed-methods approach, we combine quantitative analyses of requirement structures, decision distributions, and mapping patterns with qualitative analyses of rationales, referenced specifications, and software- and hardware-related artifacts. We investigate structural and contextual differences between stakeholder and product requirements, factors influencing acceptance, rejection, and approval with deviation, and the nature of stakeholder-to-product refinement. The results reveal systematic differences across abstraction levels and show that refinement complexity is driven primarily by architectural scope and missing contextual information rather than linguistic verbosity. We further derive a taxonomy of stakeholder-product mapping patterns and relate these patterns to differing refinement effort. The findings provide concrete insight into industrial requirements intake and refinement practices and identify actionable opportunities for improving intake validation, deviation management, and tool-supported contextual enrichment to support faster and more reusable automotive product development.

cs.SE

SelPE: Progressive Selection for Private Structured Text Synthesis

Many data-driven applications rely on structured textual records, such as clinical triage notes and financial transaction logs, for downstream learning and decision-making. In privacy-sensitive domains, access to such records is strictly regulated, often resulting in only a small number of available private examples for model development and analysis. Yet existing differential privacy data synthesis methods fall short: tabular techniques cannot faithfully model free-form text, while text-based approaches often break structural constraints. We propose SelPE, a selection-guided progressive evolution framework for small-sample private structured text synthesis. Rather than relying on noisy aggregation or private model training, SelPE concentrates privacy budget on a sequence of multi-batch top-1 selections, enabling efficient guidance under tight privacy constraints. To support faithful and valid synthesis, SelPE decouples semantic abstraction from schema realization via a two-stage generation pipeline, and evaluates candidates using a multi-channel distance kernel that jointly models textual, categorical, and numeric fields in their native representations. A non-private contrastive expansion mechanism further promotes diversity without incurring additional privacy cost. Extensive Experiments demonstrate that SelPE consistently improves structural validity, fidelity, and downstream utility under strict differential privacy budgets, particularly in low-data regimes.

cs.CR

Unsupervised Hyperspectral Image Super-Resolution via Self-Supervised Modality Decoupling

Fusion-based hyperspectral image super-resolution aims to fuse low-resolution hyperspectral images (LR-HSIs) and high-resolution multispectral images (HR-MSIs) to reconstruct high spatial and high spectral resolution images. Current methods typically apply direct fusion from the two modalities without effective supervision, leading to an incomplete perception of deep modality-complementary information and a limited understanding of inter-modality correlations. To address these issues, we propose a simple yet effective solution for unsupervised HMIF, revealing that modality decoupling is key to improving fusion performance. Specifically, we propose an end-to-end self-supervised Modality-Decoupled Spatial-Spectral Fusion (MossFuse) framework that decouples shared and complementary information across modalities and aggregates a concise representation of both LR-HSIs and HR-MSIs to reduce modality redundancy. Also, we introduce the subspace clustering loss as a clear guide to decouple modality-shared features from modality-complementary ones. Systematic experiments over multiple datasets demonstrate that our simple and effective approach consistently outperforms the existing HMIF methods while requiring considerably fewer parameters with reduced inference time. The source source code is in \href{https://github.com/dusongcheng/MossFuse}{MossFuse}.

eess.IV

Not Just What's There: Enabling CLIP to Comprehend Negated Visual Descriptions Without Fine-tuning

Vision-Language Models (VLMs) like CLIP struggle to understand negation, often embedding affirmatives and negatives similarly (e.g., matching "no dog" with dog images). Existing methods refine negation understanding via fine-tuning CLIP's text encoder, risking overfitting. In this work, we propose CLIPGlasses, a plug-and-play framework that enhances CLIP's ability to comprehend negated visual descriptions. CLIPGlasses adopts a dual-stage design: a Lens module disentangles negated semantics from text embeddings, and a Frame module predicts context-aware repulsion strength, which is integrated into a modified similarity computation to penalize alignment with negated semantics, thereby reducing false positive matches. Experiments show that CLIP equipped with CLIPGlasses achieves competitive in-domain performance and outperforms state-of-the-art methods in cross-domain generalization. Its superiority is especially evident under low-resource conditions, indicating stronger robustness across domains.

cs.CV

A Quantum Framework for Protein Binding-Site Structure Prediction on Utility-Level Quantum Processors

Accurate prediction of protein active-site structures remains a central challenge in structural biology, particularly for short and flexible peptide fragments where conventional and simulation-based methods often fail. Here, we present a quantum computing framework specifically developed for utility-level quantum processors to address this problem. Starting from an amino acid sequence, we formulate structure prediction as a ground-state energy minimization problem using the Variational Quantum Eigensolver (VQE). Amino acid connectivity is encoded on a tetrahedral lattice model, and structural constraints-including steric, geometric, and chirality terms-are mapped into a problem-specific Hamiltonian represented as sparse Pauli operators. Optimization is performed with a two-stage architecture that separates energy estimation from measurement decoding, enabling noise mitigation under realistic device conditions. We evaluate the framework on 23 randomly selected protein fragments from the PDBbind dataset and 7 fragments from therapeutically relevant proteins, and execute experiments on the IBM-Cleveland Clinic quantum processor. Predictions are benchmarked against AlphaFold 3 (AF3) and classical simulation-based approaches using identical postprocessing and docking procedures. Our method outperforms both AF3 and classical baselines in RMSD (root-mean-square deviation) and docking efficacy. These results demonstrate an end-to-end, hardware-executable pipeline for biologically relevant structure prediction on real quantum processors, highlighting its engineering feasibility and practical advantages over existing classical and deep learning approaches.

cs.ET

Drive-KD: Multi-Teacher Distillation for VLMs in Autonomous Driving

Autonomous driving is an important and safety-critical task, and recent advances in LLMs/VLMs have opened new possibilities for reasoning and planning in this domain. However, large models demand substantial GPU memory and exhibit high inference latency, while conventional supervised fine-tuning (SFT) often struggles to bridge the capability gaps of small models. To address these limitations, we propose Drive-KD, a framework that decomposes autonomous driving into a "perception-reasoning-planning" triad and transfers these capabilities via knowledge distillation. We identify layer-specific attention as the distillation signal to construct capability-specific single-teacher models that outperform baselines. Moreover, we unify these single-teacher settings into a multi-teacher distillation framework and introduce asymmetric gradient projection to mitigate cross-capability gradient conflicts. Extensive evaluations validate the generalization of our method across diverse model families and scales. Experiments show that our distilled InternVL3-1B model, with ~42 times less GPU memory and ~11.4 times higher throughput, achieves better overall performance than the pretrained 78B model from the same family on DriveBench, and surpasses GPT-5.1 on the planning dimension, providing insights toward efficient autonomous driving VLMs.

cs.AI

Drive-P2D: A Progressive Perception-to-Decision Benchmark for VLMs in Autonomous Driving

Autonomous driving requires reliable perception and safe decision-making in complex scenarios. Recent vision-language models (VLMs) demonstrate reasoning and generalization abilities, opening new possibilities for autonomous driving; however, existing benchmarks often evaluate perception and decision-making separately, limit failure analysis with choice-only formats, or introduce evaluation bias through LLM-scored long-form outputs. To address these issues, we present Drive-P2D, a progressive perception-to-decision benchmark with 6,650 questions across Object, Scene, and Decision levels. Drive-P2D adopts a separated reasoning-and-answer protocol: final answers are scored objectively, while reasoning is analyzed to identify error modes exposed along the progressive perception-to-decision chain. We evaluate mainstream VLMs across all and high-risk scenarios, and further characterize the perception-to-decision capability boundary through correlation analysis and similar-scene robustness testing. Reasoning further exposes failure modes such as logical reasoning errors and semantic feature omissions, and we train a lightweight analyzer model to automate large-scale error-mode annotation of reasoning. Together, these designs provide practical insights for building safer and more reliable VLMs for real-world autonomous driving.

cs.AI

Do We Always Need Query-Level Workflows? Rethinking Agentic Workflow Generation for Multi-Agent Systems

Multi-Agent Systems (MAS) built on large language models typically solve complex tasks by coordinating multiple agents through workflows. Existing approaches generates workflows either at task level or query level, but their relative costs and benefits remain unclear. After rethinking and empirical analyses, we show that query-level workflow generation is not always necessary, since a small set of top-K best task-level workflows together already covers equivalent or even more queries. We further find that exhaustive execution-based task-level evaluation is both extremely token-costly and frequently unreliable. Inspired by the idea of self-evolution and generative reward modeling, we propose a low-cost task-level generation framework \textbf{SCALE}, which means \underline{\textbf{S}}elf prediction of the optimizer with few shot \underline{\textbf{CAL}}ibration for \underline{\textbf{E}}valuation instead of full validation execution. Extensive experiments demonstrate that \textbf{SCALE} maintains competitive performance, with an average degradation of just 0.61\% compared to existing approach across multiple datasets, while cutting overall token usage by up to 83\%.

cs.AI

DeepH-pack: A general-purpose neural network package for deep-learning electronic structure calculations

In computational physics and materials science, first-principles methods, particularly density functional theory, have become central tools for electronic structure prediction and materials design. Recently, rapid advances in artificial intelligence (AI) have begun to reshape the research landscape, giving rise to the emerging field of deep-learning electronic structure calculations. Despite numerous pioneering studies, the field remains in its early stages; existing software implementations are often fragmented, lacking unified frameworks and standardized interfaces required for broad community adoption. Here we present DeepH-pack, a comprehensive and unified software package that integrates first-principles calculations with deep learning. By incorporating fundamental physical principles into neural-network design, such as the nearsightedness principle and the equivariance principle, DeepH-pack achieves robust cross-scale and cross-material generalizability. This allows models trained on small-scale structures to generalize to large-scale and previously unseen materials. The toolkit preserves first-principles accuracy while accelerating electronic structure calculations by several orders of magnitude, establishing an efficient and intelligent computational paradigm for large-scale materials simulation, high-throughput materials database construction, and AI-driven materials discovery.

cond-mat.mtrl-sci

XD-RCDepth: Lightweight Radar-Camera Depth Estimation with Explainability-Aligned and Distribution-Aware Distillation

Depth estimation remains central to autonomous driving, and radar-camera fusion offers robustness in adverse conditions by providing complementary geometric cues. In this paper, we present XD-RCDepth, a lightweight architecture that reduces the parameters by 29.7% relative to the state-of-the-art lightweight baseline while maintaining comparable accuracy. To preserve performance under compression and enhance interpretability, we introduce two knowledge-distillation strategies: an explainability-aligned distillation that transfers the teacher's saliency structure to the student, and a depth-distribution distillation that recasts depth regression as soft classification over discretized bins. Together, these components reduce the MAE compared with direct training with 7.97% and deliver competitive accuracy with real-time efficiency on nuScenes and ZJU-4DRadarCam datasets. Code: https://github.com/harborsarah/XD_RCDepth

cs.CV

DSAT-HD: Dual-Stream Adaptive Transformer with Hybrid Decomposition for Multivariate Time Series Forecasting

Time series forecasting is crucial for various applications, such as weather, traffic, electricity, and energy predictions. Currently, common time series forecasting methods are based on Transformers. However, existing approaches primarily model limited time series or fixed scales, making it more challenging to capture diverse features cross different ranges. Additionally, traditional methods like STL for complex seasonality-trend decomposition require pre-specified seasonal periods and typically handle only single, fixed seasonality. We propose the Hybrid Decomposition Dual-Stream Adaptive Transformer (DSAT-HD), which integrates three key innovations to address the limitations of existing methods: 1) A hybrid decomposition mechanism combining EMA and Fourier decomposition with RevIN normalization, dynamically balancing seasonal and trend components through noise Top-k gating; 2) A multi-scale adaptive pathway leveraging a sparse allocator to route features to four parallel Transformer layers, followed by feature merging via a sparse combiner, enhanced by hybrid attention combining local CNNs and global interactions; 3) A dual-stream residual learning framework where CNN and MLP branches separately process seasonal and trend components, coordinated by a balanced loss function minimizing expert collaboration variance. Extensive experiments on nine datasets demonstrate that DSAT-HD outperforms existing methods overall and achieves state-of-the-art performance on some datasets. Notably, it also exhibits stronger generalization capabilities across various transfer scenarios.

cs.LG

A Depth-Independent Linear Chain Ansatz for Large-Scale Quantum Approximate Optimization

Combinatorial optimization lies at the heart of numerous real-world applications. For a broad category of optimization problems, quantum computing is expected to exhibit quantum speed-up over classic computing. Among various quantum algorithms, the Quantum Approximate Optimization Algorithm (QAOA), as one of variational quantum algorithms, shows promise on demonstrating quantum advantage on noisy intermediate-scale quantum (NISQ) hardware. However, with increasing problem size, the circuit depth demanded by original QAOA scales rapidly and quickly surpasses the threshold at which meaningful results can be obtained. To address this challenge, in this work, we propose a variant of QAOA (termed linear chain QAOA) and demonstrate its advantages over original QAOA on paradigmatic MaxCut problems. In original QAOA, each graph edge is encoded with one entangling gate. In our ansatz, we locate a linear chain from the original MaxCut graph and place entangling gates sequentially along this chain. This linear-chain ansatz is featured by shallow quantum circuits and with the low execution time that scales independently of the problem size. Leveraging this ansatz, we demonstrate an approximation ratio of 0.78 (without post-processing) on non-hardware-native random regular MaxCut instances with 100 vertices in a digital quantum processor using 100 qubits. Our findings offer new insights into the design of hardware-efficient ansatz and point toward a promising route for tackling large-scale combinatorial optimization problems on NISQ devices.

quant-ph

TRIDE: A Text-assisted Radar-Image weather-aware fusion network for Depth Estimation

Depth estimation, essential for autonomous driving, seeks to interpret the 3D environment surrounding vehicles. The development of radar sensors, known for their cost-efficiency and robustness, has spurred interest in radar-camera fusion-based solutions. However, existing algorithms fuse features from these modalities without accounting for weather conditions, despite radars being known to be more robust than cameras under adverse weather. Additionally, while Vision-Language models have seen rapid advancement, utilizing language descriptions alongside other modalities for depth estimation remains an open challenge. This paper first introduces a text-generation strategy along with feature extraction and fusion techniques that can assist monocular depth estimation pipelines, leading to improved accuracy across different algorithms on the KITTI dataset. Building on this, we propose TRIDE, a radar-camera fusion algorithm that enhances text feature extraction by incorporating radar point information. To address the impact of weather on sensor performance, we introduce a weather-aware fusion block that adaptively adjusts radar weighting based on current weather conditions. Our method, benchmarked on the nuScenes dataset, demonstrates performance gains over the state-of-the-art, achieving a 12.87% improvement in MAE and a 9.08% improvement in RMSE. Code: https://github.com/harborsarah/TRIDE

cs.CV

Predictive Hydrodynamic Simulations for Laser Direct-drive Implosion Experiments via Artificial Intelligence

This work presents predictive hydrodynamic simulations empowered by artificial intelligence (AI) for laser driven implosion experiments, taking the double-cone ignition (DCI) scheme as an example. A Transformer-based deep learning model MULTI-Net is established to predict implosion features according to laser waveforms and target radius. A Physics-Informed Decoder (PID) is proposed for high-dimensional sampling, significantly reducing the prediction errors compared to Latin hypercube sampling. Applied to DCI experiments conducted on the SG-II Upgrade facility, the MULTI-Net model is able to predict the implosion dynamics measured by the x-ray streak camera. It is found that an effective laser absorption factor about 65\% is suitable for the one-dimensional simulations of the DCI-R10 experiments. For shot 33, the mean implosion velocity and collided plasma density reached 195 km/s and 117 g/cc, respectively. This study demonstrates a data-driven AI framework that enhances the prediction ability of simulations for complicated laser fusion experiments.

physics.plasm-ph

InfoNCE is a Free Lunch for Semantically guided Graph Contrastive Learning

As an important graph pre-training method, Graph Contrastive Learning (GCL) continues to play a crucial role in the ongoing surge of research on graph foundation models or LLM as enhancer for graphs. Traditional GCL optimizes InfoNCE by using augmentations to define self-supervised tasks, treating augmented pairs as positive samples and others as negative. However, this leads to semantically similar pairs being classified as negative, causing significant sampling bias and limiting performance. In this paper, we argue that GCL is essentially a Positive-Unlabeled (PU) learning problem, where the definition of self-supervised tasks should be semantically guided, i.e., augmented samples with similar semantics are considered positive, while others, with unknown semantics, are treated as unlabeled. From this perspective, the key lies in how to extract semantic information. To achieve this, we propose IFL-GCL, using InfoNCE as a "free lunch" to extract semantic information. Specifically, We first prove that under InfoNCE, the representation similarity of node pairs aligns with the probability that the corresponding contrastive sample is positive. Then we redefine the maximum likelihood objective based on the corrected samples, leading to a new InfoNCE loss function. Extensive experiments on both the graph pretraining framework and LLM as an enhancer show significantly improvements of IFL-GCL in both IID and OOD scenarios, achieving up to a 9.05% improvement, validating the effectiveness of semantically guided. Code for IFL-GCL is publicly available at: https://github.com/Camel-Prince/IFL-GCL.

cs.LG

Open-Nav: Exploring Zero-Shot Vision-and-Language Navigation in Continuous Environment with Open-Source LLMs

Vision-and-Language Navigation (VLN) tasks require an agent to follow textual instructions to navigate through 3D environments. Traditional approaches use supervised learning methods, relying heavily on domain-specific datasets to train VLN models. Recent methods try to utilize closed-source large language models (LLMs) like GPT-4 to solve VLN tasks in zero-shot manners, but face challenges related to expensive token costs and potential data breaches in real-world applications. In this work, we introduce Open-Nav, a novel study that explores open-source LLMs for zero-shot VLN in the continuous environment. Open-Nav employs a spatial-temporal chain-of-thought (CoT) reasoning approach to break down tasks into instruction comprehension, progress estimation, and decision-making. It enhances scene perceptions with fine-grained object and spatial knowledge to improve LLM's reasoning in navigation. Our extensive experiments in both simulated and real-world environments demonstrate that Open-Nav achieves competitive performance compared to using closed-source LLMs.

cs.RO

SCIGS: 3D Gaussians Splatting from a Snapshot Compressive Image

Snapshot Compressive Imaging (SCI) offers a possibility for capturing information in high-speed dynamic scenes, requiring efficient reconstruction method to recover scene information. Despite promising results, current deep learning-based and NeRF-based reconstruction methods face challenges: 1) deep learning-based reconstruction methods struggle to maintain 3D structural consistency within scenes, and 2) NeRF-based reconstruction methods still face limitations in handling dynamic scenes. To address these challenges, we propose SCIGS, a variant of 3DGS, and develop a primitive-level transformation network that utilizes camera pose stamps and Gaussian primitive coordinates as embedding vectors. This approach resolves the necessity of camera pose in vanilla 3DGS and enhances multi-view 3D structural consistency in dynamic scenes by utilizing transformed primitives. Additionally, a high-frequency filter is introduced to eliminate the artifacts generated during the transformation. The proposed SCIGS is the first to reconstruct a 3D explicit scene from a single compressed image, extending its application to dynamic 3D scenes. Experiments on both static and dynamic scenes demonstrate that SCIGS not only enhances SCI decoding but also outperforms current state-of-the-art methods in reconstructing dynamic 3D scenes from a single compressed image. The code will be made available upon publication.

cs.CV