arXiv subjects

Zheng Fang

Publications and source records attributed to Zheng Fang.

At least 19 recordsLinked to original sources

arXiv2026

MM-Spectrum: Multimodal Multi-spectral Molecular Structural Elucidation with a Stable MoE Framework

Inferring molecular structures from multimodal spectroscopic measurements requires integrating complementary yet highly heterogeneous signals. However, the common paradigm of directly concatenating multispectral sequences can exhibit anomalous performance degradation, primarily due to pronounced heterogeneity and the resulting multimodal imbalance across modalities. As a remedy, we propose MM-Spectrum, a sparse Mixture-of-Experts framework tailored for multimodal multispectral spectra-to-structure elucidation. To better match the information characteristics under multispectral imbalance, MM-Spectrum introduces an explicit modality-aware routing mechanism that exposes spectral identity to the router in addition to token content representations. Moreover, it incorporates shared and interaction experts, together with heterogeneous expert capacities, to extract multispectral modality-unique and cross-modal synergistic information while suppressing noise-induced interference. Across full-modality, bimodal, and missing-modality settings on molecular structural elucidation, MM-Spectrum achieves consistent and substantial improvements, supported by ablation studies and interpretability analyses.

cs.LG↗

arXiv2026

Simulation-to-real transfer learning for infrared spectroscopic chemical sensing and analysis from molecules to complex samples

Infrared (IR) spectroscopy is widely used for chemical sensing, but extracting reliable chemical information from spectra remains challenging. Conventional interpretation is labor-intensive, relies on prior knowledge and reference spectra, and is difficult to scale, whereas most machine-learning methods are tailored to individual tasks or datasets, require large labeled training sets, and transfer poorly across analytical objectives and experimental datasets. Here we introduce UltraIR, a foundation model for IR spectroscopy with more than 100 million parameters that enables simulation-to-real transfer learning for chemical sensing and analysis from molecules to complex samples. UltraIR is pretrained on approximately 60 million simulated IR spectra using spectral reconstruction, molecular fingerprint similarity alignment, and functional-group prediction, then adapted to downstream objectives with task-specific labels or targets. Across functional-group prediction, molecular structure elucidation, physicochemical property prediction, mixture-component identification and quantification, bacterial classification, medicinal-herb geographic origin traceability and constituent quantification, microplastics classification, and soil property prediction, UltraIR outperforms conventional machine-learning and task-specific deep-learning baselines. It performs strongly with limited labeled experimental spectra and in zero-shot inference for the same analytical task across Fourier-transform infrared spectrometers and laboratories, providing a route to adaptable, data-efficient chemical sensing from complex real-world samples.

cs.LG↗

arXiv2026

Triple Expert Learning from Noisy Labels for Semi-Supervised Vision Foundation Model Adaptation

Semi-supervised adaptation of vision foundation models (VFMs) commonly freezes the pretrained backbone and updates lightweight modules such as LoRA. However, pseudo-labels have mixed reliability, and a single LoRA adapter must absorb reliable, ambiguous, and noisy gradients in the same low-rank space. This can make VFM adaptation sensitive to pseudo-label noise. We propose \textbf{TriNoL}, a \textbf{Tri}ple-expert learning framework from \textbf{No}isy \textbf{L}abels for semi-supervised VFM adaptation. TriNoL routes unlabeled samples into three confidence regions and assigns them to three LoRA experts: a Positive Expert for high-confidence pseudo-labels, an Alignment Expert for medium-confidence ambiguous samples, and a Negative Expert for low-confidence noisy samples. The VFM backbone remains frozen, and only the LoRA experts and classifier head are updated. By separating different pseudo-label reliability regions into specialized adaptation paths, TriNoL improves robustness to noisy supervision while keeping the training cost low.

cs.CV↗

arXiv2026

4D-WAM: Infusing Spatiotemporal Awareness into World Action Models through Trajectory Fields

Building on recent advances in world models, World Action Models (WAMs) jointly model video prediction and action generation. However, they typically represent videos in 2D pixel space, creating a representation gap with 3D space in which robotic actions are executed. Recent 3D approaches introduce 3D information, but fail to fully exploit the dynamics of 3D structures. In this work, we propose 4D-WAM, a model-agnostic training strategy that injects spatiotemporal knowledge from 3D trajectory fields into WAMs through representation alignment. To this end, we introduce two complementary objectives: 1) motion alignment, which aligns temporal feature variations across adjacent frames and encourages the model to build local 4D awareness during training, and 2) destination alignment, which guides the model to infer the final destination from the source frame by minimizing the gap between their attention-like similarity distributions. Together, these objectives provide both local motion supervision and long-horizon goal guidance, enabling WAMs to learn trajectory-level spatiotemporal representations. Extensive in-distribution and out-of-distribution experiments across different base models demonstrate the model's improvements in spatial understanding, execution precision, robustness, generalization, and versatility.

cs.RO↗

arXiv2026

Debiased Machine Learning: Identification, Estimation, and Shape Constraints

We develop a general framework of identification and estimation for automatic debiased machine learning (DML) where the parameter of interest $\theta_0$ is identified by a moment condition involving a nuisance $\gamma_0$ that may be high dimensional. We establish conditions under which the Riesz representer $\alpha_0$, which is at the core of DML, is identified, and show that the identification occurs precisely when $\alpha_0$ uniquely optimizes a quadratic functional. This characterization enables us to develop a general estimation procedure for $\alpha_0$ that allows for generic $\gamma_0$ including those defined by models with endogeneity and encompasses both classical sieves and modern architectures such as deep neural networks. To improve estimation precision and mitigate the curse of dimensionality, we incorporate shape constraints on $\gamma_0$ by embedding them into a possibly nonlinear parameter space. We illustrate our estimation procedure through simulations and empirical applications.

econ.EM↗

arXiv2026

ClarifyCodeBench: Evaluating LLMs on Clarifying Ambiguous Requirements for Code Generation

Large Language Models have emerged as programming assistants. However, the efficacy of code generation is constrained by the quality of input requirements, which are frequently ambiguous, incomplete, or underspecified. While LLMs excel at one-shot code synthesis, their ability to proactively clarify intent remains underexplored, as a critical trait for robust software engineering. Existing benchmarks largely overlook this interactive bottleneck, assuming perfectly specified prompts that do not reflect the iterative nature of requirement elicitation. To bridge this gap, we introduce ClarifyCodeBench, a novel interactive benchmark for evaluating LLMs' capability in resolving requirement ambiguity. Constructed from real-world programming tasks, ClarifyCodeBench features high-quality manual annotations, including N unique ambiguity types, associated clarification questions, and corresponding ground-truth answers. Furthermore, we formalize two rigorous metrics to assess the interaction quality: Turn-discounted Key Question Rate, which penalizes inefficient questioning, and Optimal Round Adherence, which measures the precision of the elicitation process. We conduct a systematic evaluation of six state-of-the-art LLMs using ClarifyCodeBench. Our empirical results yield three critical insights: 1) Capability Decoupling: Strong code generation performance does not inherently translate to effective requirement clarification; 2) The Reasoning Paradox: While increased computational thinking enhances code correctness, it yields marginal gains in identifying ambiguities; 3) The Multi-ambiguity Ceiling: LLMs' clarification performance degrades sharply as the density of ambiguities increases, revealing a significant bottleneck in handling complex, real-world specifications. Our work underscores the necessity for future AI4SE research to transition from static synthesis to interactive elicitation.

cs.SE↗

arXiv2026

Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent

Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise. While artificial intelligence has advanced this field, current methods face a critical trade-off: database retrieval cannot identify novel scaffolds, while de novo molecular structure elucidation models operate as black boxes, lacking the atom-level interpretability required for rigorous scientific validation. Here, we present NMRAgent, an evidential reasoning agent powered by large language models (LLMs) that bridges this gap by integrating specialized spectral analysis tools with chemical knowledge graphs. Unlike previous approaches, NMRAgent mimics the deductive reasoning of human experts: it takes experimental NMR spectra and molecular formula as input, plans the elucidation process, proposes candidate structures, verifies peak-atom consistency, and refines misaligned substructure through formula-aware fragment optimization. Enabled by its evidential reasoning, NMRAgent outperforms state-of-the-art methods, improving top-1 accuracy by 46.5% and Tanimoto similarity by 0.502 on a scaffold-split benchmark with novel scaffolds in the test set. Besides, we demonstrate the agent's practical utility by elucidating the structures of two previously unknown natural products isolated from Hydrangea davidii and Vitex trifolia, and by correcting structural misassignments in established literature. By combining high-accuracy prediction with transparent and evidence-based reasoning, NMRAgent establishes a new paradigm for interpretable AI in analytical chemistry.

cs.LG↗

arXiv2026

A large-scale foundation model enables simulation-to-real adaptation for nuclear magnetic resonance-based molecular structure analysis

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for molecular structure analysis, and spectral artificial intelligence offers great potential for its rapid and automated interpretation. However, the scarcity of experimental NMR datasets has constrained deep learning in this domain to narrow, task-specific applications that lack broad generalization. Here, we introduce UltraNMR, a large-scale foundation model for NMR that leverages the intrinsic properties of NMR spectra to learn generalizable spectral representations. We collected 158 million paired simulated $^{1}$H and $^{13}$C NMR spectra to train UltraNMR, employing multiple domain-specific pre-training objectives. UltraNMR captures both intra-spectral and inter-spectral dependencies, enabling seamless simulation-to-real adaptation. We demonstrate that adapting UltraNMR to a range of molecular structure analysis tasks on experimental NMR spectra consistently yields state-of-the-art performance and clearly outperforms UltraNMR variants trained directly on downstream data without simulation pre-training. We also construct a large-scale NMR spectral vector library by encoding simulated NMR spectra using UltraNMR, covering 94 million unique molecules and enabling effective structure-aware retrieval. In real-world applications, UltraNMR facilitates the structural elucidation of two previously unknown natural products from Chinese herbal medicines recorded in the Chinese Pharmacopoeia. These results suggest that large-scale simulation pre-training can effectively bridge the simulation-to-real gap, enabling robust and generalizable molecular structure analysis of real-world NMR spectra.

physics.chem-ph↗

arXiv2026

RadioFormer3D: Weakly Supervised 3D Radio Map Estimation in Low-Altitude Airspace via Generative Modeling

With the emergence of wireless applications in three-dimensional environments, such as the low-altitude airspace and 3D heterogeneous networks, radio map estimation is increasingly required to characterize signal propagation across both horizontal and vertical dimensions. However, extending radio map estimation from 2D to 3D remains challenging due to increased spatial sparsity and limited supervision across continuous altitudes. In this paper, we propose \textbf{\textit{RadioFormer3D}}, a specialized model for volumetric spectrum reconstruction under weak supervision. Building on the dual-stream, multi-granularity fusion architecture of \textit{RadioFormer}, \textit{RadioFormer3D} introduces a Fourier-based sampling encoder and a volumetric decoder to efficiently process sparse measurements in 3D space. To alleviate the lack of vertical supervision, we propose the \textbf{\textit{Joint Spectrum Integrity Loss}}, which integrates volume-level pseudo-label supervision, map-level geometry-aware radio rendering, and pixel-level localized constraints within a unified optimization scheme. This design enables the model to capture complex vertical structural relationships more effectively under sparse supervision. Extensive experiments across several radio map datasets show that \textit{RadioFormer3D} achieves superior overall performance compared to representative existing methods. In particular, it demonstrates improved reconstruction quality at unlabeled altitudes while maintaining a favorable trade-off between accuracy and inference efficiency, positioning it as a highly promising solution for future 3D environment-aware wireless networks.

cs.CV↗

arXiv2026

Bridging the Sampling Distribution Shift in Radio Map Estimation: A Trajectory-Aware Paradigm

Learning-based radio map estimation (RME) plays a critical role in UAV-assisted wireless sensing, enabling tasks such as coverage prediction and network optimization. Most current methods assume an independently and identically distributed (i.i.d.) training and testing setting based on random sampling. However, practical UAV measurements are collected sequentially along feasible trajectories, resulting in highly structured and spatially correlated patterns. This mismatch introduces a sampling distribution shift that increases the intrinsic difficulty of spatial field recovery and compromises the generalization of models trained under i.i.d. assumptions. To mitigate this issue, we propose a trajectory-aware training paradigm based on Stochastic-Triggered Trajectory-Based Sampling (ST-TBS), which preserves trajectory continuity while introducing sampling variability. Moreover, from a statistical perspective, we show that trajectory-based sampling reduces spatial diversity and increases information redundancy compared to random sampling. Extensive experiments on the RadioMapSeer and SpectrumNet datasets demonstrate that models trained with random sampling suffer significant performance degradation under trajectory-based observations, with RMSE increasing from 0.0391 to 0.2632 on SpectrumNet. Conversely, our proposed ST-TBS method effectively reduces the RMSE to 0.0571. These results highlight the necessity of aligning training and deployment sampling distributions for reliable RME.

cs.CV↗

arXiv2026

LFX: Towards Unified Light Field Dense Semantic Segmentation and Salient Object Detection

Light field cameras capture multi-view observations within a single exposure. However, existing studies are typically tailored to specific LF representations, leaving the field without a unified learning framework. To bridge this gap, we present LFX, the first unified framework for LF perception. LFX establishes a representation-invariant feature modulation space, enabling it to adapt to heterogeneous LF representations and diverse perception tasks. Specifically, we propose Field-of-Parallax Angular Subspace Modeling (FoP-ASM), which assigns an independent angular marker to each auxiliary view, enabling view-wise independent modeling. Meanwhile, shared manifold subspace constraints and regularization losses enforce globally consistent semantic modulation across views. Extensive evaluations across three LF benchmarks show that LFX achieves state-of-the-art results across distinct LF representations, outperforming representation-specific methods by up to 12% and 20% with 0.029/0.027 MAE for salient object detection, and achieving 84.37 mIoU for semantic segmentation. The source code will be made publicly available at https://github.com/FeiT-FeiTeng/LFX.

cs.CV↗

arXiv2026

SilverTorch: A Unified Model-based System to Democratize Large-Scale Recommendation on GPUs

Serving deep learning based recommendation models (DLRM) at scale is challenging. Existing approaches rely on dedicated ANN indexing and filtering services on CPUs, suffering from non-negligible costs and missing co-design opportunities. Such inefficiency makes them difficult to support complex model architectures, such as learned similarities and multi-task retrieval. In this paper, we present SilverTorch, a model-based serving system that brings all components into one unified model. It unifies model serving by replacing standalone indexing and filtering services with model layers. We propose a model-based GPU Bloom index for feature filtering and a fused Int8 ANN kernel for nearest neighbor search. Through co-design of the ANN search and feature filtering, we reduce GPU memory usage and eliminate computation. Benefiting from this design, we scale up retrieval by introducing an OverArch scoring layer and a multi-task retrieval with a Value Model to aggregate scores. These advancements improve the retrieval accuracy and enable future studies for serving more complex models. Our evaluation on industry-scale datasets show that SilverTorch achieves up to 23.7\times higher throughput compared to the state-of-the-art approaches. We also demonstrate that SilverTorch solution is 13.35\times more cost-efficient than CPU-based solution while improving accuracy via serving more complex models. SilverTorch is deployed at scale, serving hundreds of models online and supporting recommendation for diverse applications.

cs.IR↗

arXiv2026

AGPO: Asymmetric Group Policy Optimization for Verifiable Reasoning and Search Ads Relevance at JD

Reinforcement Learning with Verifiable Rewards (RLVR) has demonstrated notable success in enhancing the reasoning performance of large language models (LLMs). However, recent studies reveal that while current RLVR methods improve sampling efficiency towards correct paths, they do not elicit fundamentally new reasoning patterns. Instead, the reasoning capability boundary of trained models often narrows compared to their base models, with base models achieving higher coverage at large sample sizes. In this work, we propose Asymmetric Group Policy Optimization (AGPO) to counteract this boundary shrinkage. AGPO adopts a negative-dominant reinforcement strategy to suppress incorrect reasoning paths, maintaining the base model's exploration capacity. For positive reinforcement, AGPO adopts a group advantage mechanism, which scales positive updates based on intra-group variance, allowing the model to focus on rare correct paths while suppressing updates from trivial paths. Our experiments on five mathematical benchmarks demonstrate that AGPO achieves state-of-the-art accuracy while consistently improving pass@$k$ performance at scale. In a large-scale industrial application for search ads relevance optimization, AGPO effectively enhances the quality of the data annotation, leading to substantial performance gains in downstream student models.

cs.AI↗

arXiv2026

From Chat to Interview: Agentic Requirements Elicitation with an Experience Ontology

Requirements elicitation interviews are crucial and time-consuming in requirements engineering, but heavily rely on the experience of requirements analysts. Although recent advancements in large language models (LLMs) have created new opportunities to automate this process, existing approaches rely solely on LLMs for free-form chat without taking into account the interview and development experience. That leads to the omission of implicit requirements and redundant questions. Practically, experienced analysts implicitly follow a structured cognitive framework when conducting requirements elicitation. Inspired by this observation, this paper proposes an interview agent named OntoAgent for the elicitation of requirements guided by an experience ontology. OntoAgent automatically analyzes domain-specific requirements descriptions to construct an experience ontology, which organizes requirements concerns into an ontology to support systematic and explainable interviews. During the interview, OntoAgent first performs four operations (i.e., ParseUser, ScoreOnto, ReRankOnto, GatePrune) guided by the ontology to identify the relevant requirement concerns. The selected concern is then combined with the current dialogue context to generate the elicitation question. To validate OntoAgent, we conduct comprehensive quantitative experiments using the widely adopted website application domain. The results show that OntoAgent significantly outperforms existing baselines in both elicitation effectiveness and questioning efficiency, achieving a 33% improvement in IRE and a 21% improvement in TKQR. Ablation studies further validate the contribution of each key design component. In addition, a qualitative user study demonstrates its practical advantages in real-world scenarios. We believe that OntoAgent can also be extended to requirements interview tasks in other domains.

cs.SE↗

arXiv2026

Sparse Tokens Suffice: Jailbreaking Audio Language Models via Token-Aware Gradient Optimization

Jailbreak attacks on audio language models (ALMs) optimize audio perturbations to elicit unsafe generations, and they typically update the entire waveform densely throughout optimization. In this work, we investigate the necessity of such dense optimization by analyzing the structure of token-aligned gradients in ALMs. We find that gradient energy is highly non-uniform across audio tokens, indicating that only a small subset of token-aligned audio regions dominates the optimization signal. Motivated by this observation, we propose Token-Aware Gradient Optimization (TAGO), which enables sparse jailbreak optimization by retaining only waveform gradients aligned with audio tokens that have high gradient energy, while masking the remaining gradients at each iteration. Across three ALMs, TAGO outperforms baselines, and substantial sparsification preserves strong attack success rates (e.g. on Qwen3-Omni, $\mathrm{ASR}_{l}$ remains at 86% with a token retention ratio of 0.25, compared to 87% with full token retention). These results demonstrate that dense waveform updates are largely redundant, and we advocate that future audio jailbreak and safety alignment research should further leverage this heterogeneous token-level gradient structure.

cs.CR↗

arXiv2026

EA-Agent: A Structured Multi-Step Reasoning Agent for Entity Alignment

Entity alignment (EA) aims to identify entities across different knowledge graphs (KGs) that refer to the same real-world object and plays a critical role in knowledge fusion and integration. Traditional EA methods mainly rely on knowledge representation learning, but their performance is often limited under noisy or sparsely supervised scenarios. Recently, large language models (LLMs) have been introduced to EA and achieved notable improvements by leveraging rich semantic knowledge. However, existing LLM-based EA approaches typically treat LLMs as black-box decision makers, resulting in limited interpretability, and the direct use of large-scale triples substantially increases inference cost. To address these challenges, we propose \textbf{EA-Agent}, a reasoning-driven agent for EA. EA-Agent formulates EA as a structured reasoning process with multi-step planning and execution, enabling interpretable alignment decisions. Within this process, it introduces attribute and relation triple selectors to filter redundant triples before feeding them into the LLM, effectively addressing efficiency challenges. Experimental results on three benchmark datasets demonstrate that EA-Agent consistently outperforms existing EA methods and achieves state-of-the-art performance. The source code is available at https://github.com/YXNan0110/EA-Agent.

cs.IR↗

arXiv2026

Multi-Agent Pathfinding with Non-Unit Integer Edge Costs via Enhanced Conflict-Based Search and Graph Discretization

Multi-Agent Pathfinding (MAPF) plays a critical role in various domains. Traditional MAPF methods typically assume unit edge costs and single-timestep actions, which limit their applicability to real-world scenarios. MAPFR extends MAPF to handle non-unit costs with real-valued edge costs and continuous-time actions, but its geometric collision model leads to an unbounded state space that compromises solver efficiency. In this paper, we propose MAPFZ, a novel MAPF variant on graphs with non-unit integer costs that preserves a finite state space while offering improved realism over classical MAPF. To solve MAPFZ efficiently, we develop CBS-NIC, an enhanced Conflict-Based Search framework incorporating time-interval-based conflict detection and an improved Safe Interval Path Planning (SIPP) algorithm. Additionally, we propose Bayesian Optimization for Graph Design (BOGD), a discretization method for non-unit edge costs that balances efficiency and accuracy with a sub-linear regret bound. Extensive experiments demonstrate that our approach outperforms state-of-the-art methods in runtime and success rate across diverse benchmark scenarios.

cs.AI↗

arXiv2026

4DRaL: Bridging 4D Radar with LiDAR for Place Recognition using Knowledge Distillation

Place recognition is crucial for loop closure detection and global localization in robotics. Although mainstream algorithms typically rely on cameras and LiDAR, these sensors are susceptible to adverse weather conditions. Fortunately, the recently developed 4D millimeter-wave radar (4D radar) offers a promising solution for all-weather place recognition. However, the inherent noise and sparsity in 4D radar data significantly limit its performance. Thus, in this paper, we propose a novel framework called 4DRaL that leverages knowledge distillation (KD) to enhance the place recognition performance of 4D radar. Its core is to adopt a high-performance LiDAR-to-LiDAR (L2L) place recognition model as a teacher to guide the training of a 4D radar-to-4D radar (R2R) place recognition model. 4DRaL comprises three key KD modules: a local image enhancement module to handle the sparsity of raw 4D radar points, a feature distribution distillation module that ensures the student model generates more discriminative features, and a response distillation module to maintain consistency in feature space between the teacher and student models. More importantly, 4DRaL can also be trained for 4D radar-to-LiDAR (R2L) place recognition through different module configurations. Experimental results prove that 4DRaL achieves state-of-the-art performance in both R2R and R2L tasks regardless of normal or adverse weather.

cs.CV↗