arXiv subjects

Yuke Li

Publications and source records attributed to Yuke Li.

At least 19 recordsLinked to original sources

arXiv2026

RetroMPA: A Molecular Property-Aware Auxiliary Framework for Enhancing Retrosynthesis Prediction

Retrosynthesis is a cornerstone of drug discovery and organic synthesis. While data-driven deep learning models have shown remarkable progress, they autonomously learn reaction patterns from extensive datasets with limited integration of established chemical knowledge as priors. To address this limitation, we introduce RetroMPA, a molecular property-aware, post-hoc enhancement module that injects chemical knowledge into the retrosynthesis pipeline. Rather than functioning as an independent SMILES sequence generator, RetroMPA is a broadly applicable, model-agnostic chemical filter designed to recalibrate and optimize the predictive pathways of existing algorithms. This plug-and-play framework integrates seamlessly with a range of data-driven retrosynthesis methods, enhancing outputs without modifying model architecture or requiring resource-intensive retraining. By leveraging a property-aware latent embedding space, RetroMPA consistently improves top-1 accuracy across eight representative retrosynthesis models by an average of 5.50% on USPTO-50K. Furthermore, we validate its scalability on the large-scale USPTO-Full dataset, achieving an average improvement of about 2.03% across both template-based and template-free architectures. Wet-lab experiments provide preliminary support for the practical utility of the framework. These syntheses confirmed viable, previously unreported substrate combinations for classic reaction paradigms---specifically, Suzuki-Miyaura coupling, Bucherer reaction, and Friedel-Crafts acylation---suggesting that RetroMPA can operate beyond mere data fitting. The code is open-sourced at https://github.com/MengzhouLu/RetroMPA.

cs.LG↗

arXiv2026

Watching Synthetic Videos: Aligning Cross-modal Representations with Visual Synthesis for Zero-shot Video Captioning

Text-only training is a popular paradigm in zero-shot video captioning, where the video distribution is not available to the model during training, leading to a cross-modal gap between the training (text-only) and the inference (video-only). Previous works attempt to bridge the gap through simple linear transformations. However, the inherent gap between text and video makes cross-modal representation space alignment insufficient, resulting in inaccurate sentences. To address this issue, we propose a novel zero-shot video captioning framework (WSV) consisting of two training stages, which first generates corresponding synthetic video latent representations via a pretrained text-to-video generation model. To strengthen the fidelity of the latent representations, we propose a polisher capable of bridging the gap between real and synthetic video distributions. Subsequently, we design a prompter that conditions GPT-2 on the polished latent representations to generate the captions in the second training stage. During inference, an input video is encoded by a pretrained 3D Causal VAE and then fed directly into the prompter, which in turn guides GPT-2 to produce the final caption. Experimental results conducted on MSVD, MSR-VTT, and VATEX datasets demonstrate that our proposed method achieves scores of 52 and 95.7 on the B@4 and CIDEr metrics, respectively.

cs.CV↗

arXiv2026

Hallucination-Free GUI Grounding via Regression-Free Layout-Aware Matching

GUI agents are shifting from metadata-dependent large language models to purely visual multimodal large language models (MLLMs) that operate directly on screenshots. The core task, GUI grounding, requires translating abstract user instructions into precise element coordinates. This task faces a persistent dual obstacle: conventional grounding models lack the semantic richness to interpret abstract instructions, while end-to-end MLLMs suffer from coordinate hallucinations caused by deficient fine-grained perception. We propose a regression-free framework where a frozen MLLM performs instruction parsing and a dedicated grounding model handles precise localization without learning any coordinate regression. A frozen MLLM first elaborates the abstract instruction into a structured visual description rich in layout cues. These descriptions are then fed to a novel Layout-Aware GUI Grounding Model, which performs regression-free localization by matching against layout-prior candidates, inherently suppressing hallucinations and avoiding expensive fine-tuning. The grounding model is trained with only Text/Icon binary labels, requiring no coordinate regression parameters. On ScreenSpot-Pro, our method achieves over 20% improvement in grounding accuracy over end-to-end systems; on Mind2Web, it raises success rate and element selection rate by more than 15%. These results demonstrate that decoupling instruction understanding from layout-aware localization effectively resolves the core challenges of GUI interaction.

cs.AI↗

arXiv2026

Standalone DINOv3 for Training-Free Open-Vocabulary Semantic Segmentation in Remote Sensing

Remote sensing semantic segmentation is hindered by costly pixel-level annotations, motivating training-free open-vocabulary methods. Recently, the recent release of DINOv3 brings DINO.txt, which equips the standalone DINO backbone with image-text contrastive learning and thus opens up the possibility of open-vocabulary segmentation. We propose DinoSplat-OV, a training-free framework that adapts DINOv3 to remote sensing without fine-tuning or additional pretraining. Targeting the dense distribution, multi-scale nature, and large size of remote sensing imagery, we design two core modules. Its Text-aware Laplacian Propagation module de-noises patch-level predictions by combining textual semantic affinities with local visual similarity, improving regional consistency while preserving boundaries. Its Gaussian Splatting Upsampling module reconstructs pixel-level features through RGB-guided anisotropic aggregation and test-time optimization. A global-anchor sliding-window strategy further supports large-scale imagery. Experiments on UDD5, DOTA, and LoveDA demonstrate competitive or superior performance over existing training-free methods, effectively filling the gap of DINO-series models in training-free open-vocabulary segmentation and providing a viable new path for further advances in this direction.

cs.CV↗

arXiv2026

TDVR: Joint Text Disambiguation and Viewpoint Reasoning for Zero-Shot 3D Visual Grounding

Zero-shot 3D visual grounding aims to localize specific objects based on textual descriptions and 3D visual input. However, the effectiveness of existing methods is significantly hindered by the ambiguous query text and deficient viewpoints. To address these issues, we propose TDVR, a training-free reasoning framework that disambiguates the input text and infers accurate viewpoints for zero-shot 3D visual grounding. First, we construct semantic 3D scene graph from the detected instances in the 3D point cloud. Subsequently, we put the original query, appearance and spatial relationship descriptions into the LLM for fusion, thereby disambiguating the initial input. We leverage chain-of-thought reasoning to generate the structured representation of disambiguated query. Then taking the scene graph and structured query as input, we get the optimal view via viewpoint reasoning to solve the problem of missing viewpoints during grounding. Based on the obtained optimal viewpoint, we further discriminate the distracting objects, enabling the model with the ability to distinguish similar instances. After that, we match the category text and appearance images with the query by computing the similarity of feature vectors. Finally, the target object was identified by integrating the viewpoint score, confusion score, category score, and appearance score. Compared with previous methods, our TDVR has stronger capabilities in viewpoint reasoning, similar object discrimination, and ambiguous query understanding. Experimental results on the public ScanRefer dataset show that our method outperforms the existing state-of-the-art methods by 15.25% and 14.46% in Acc@0.25 and Acc@0.5 respectively, demonstrating the effectiveness of our TDVR in addressing ambiguous query text and deficient viewpoints.

cs.CV↗

arXiv2026

SMM Transformer: Leveraging Spiking Neural Networks for Multimodal Tasks

Spiking Neural Networks (SNNs) enable event-driven computation with sparse activations, but building multimodal Transformers on SNNs is hindered by unstable training in deep spiking stacks and the mismatch between dense softmax attention and spike-based communication. We propose SMM Transformer, an SNN-based multimodal Transformer framework that combines (i)PLMP, a Parallel LIF with Multistage Learnable Parameters neuron and a tailored P-STBP algorithm for stable deep SNN training, (ii) SMSA, an attention-inspired spike-driven token-mixing module that replaces dense pairwise softmax attention with channel-wise spike co-activation and self-compensation, and (iii)SMoE, a spiking mixture-of-experts module for modality-aware fusion. Across visual and multimodal benchmarks, SMM Transformer achieves competitive accuracy compared to ANN baselines. Under a standard MAC/AC arithmetic model, SMSA reduces the estimated operator-level compute energy of the attention module by up to 97%, while whole-model profiling shows more moderate but consistent efficiency gains.

cs.NE↗

arXiv2026

Spike-HTR: Spiking Neural Transformer for Handwritten Text Recognition

Handwritten Text Recognition (HTR) is computationally imbalanced in two ways: most image pixels are background, and many width-axis sequence positions are blank-dominated. This creates a mismatch for Spiking Neural Networks (SNNs): handwriting is observed as a static image, whereas spiking computation unfolds over timesteps. We propose Spike-HTR, a hybrid spiking recognizer that controls both the number of spiking steps and the number of width positions processed by the deep sequence mixer. To make a static image suitable for short-horizon spiking inference, InkCoder converts it into a coarse-to-fine input stream, where early steps cover broad stroke regions and later steps emphasize sharper stroke details. To reduce sequence computation, a CTC-guided length reducer keeps likely character or uncertain positions and compresses long blank-dominated stretches before deep mixing. With $T{=}2$, Spike-HTR trains only on target data, decodes without language models or lexicons, and reaches validation/test CERs of 3.5/5.4, 2.3/2.5, and 4.2/3.9 on IAM, LAM, and READ2016. Codes are available at https://github.com/QomolangmaH/SpikeHTR.

cs.NE↗

arXiv2026

Style Wins, Substance Loses: A Diagnosis of LLM-as-Judge in Idea Generation

However, whether these judges truly evaluate the scientific substance of ideas or are influenced by superficial stylistic presentation remains an open question. To address this question, we propose SciStyleBench, a unified three-component benchmark for diagnosing and mitigating stylistic bias in LLM-based idea evaluation: (i) First, SciStyleStage, a three-stage evaluation environment that applies controlled stylistic perturbations to fixed scientific content across three settings no context, fixed-domain context, and open-domain retrieval context, covering 600 scientific ideas and 15 style variants, with 9,000 evaluation instances per setting; (ii) Second, SciStyleMetrics, a set of quantitative measures, including Style Bias Index (SBI), Substance Recognition Rate (SRR), and Adversarial Win Rate (AWR), to characterize how stylistic variation affects scoring stability, substance discrimination, and ranking robustness; (iii) Third, SciStyleExtractor, a plug-and-play evaluation module that separates presentation style from scientific content by predicting style type and deviation before style-conditioned evaluation, enabling us to assess whether style awareness reduces stylistic bias. Experiments on SciStyleBench show that direct LLM judges remain sensitive to writing style and struggle to distinguish scientific substance. In contrast, SciStyleExtractor reduces SBI from 0.566 to 0.501 while increasing SRR and AWR from 0.504 and 0.554 to 0.759 and 0.899, respectively. These results suggest that robust idea evaluation requires invariance to stylistic variation without sacrificing sensitivity to scientific substance. Overall, SciStyleBench provides a systematic framework for identifying, quantifying, and mitigating stylistic bias in scientific idea evaluation.

cs.CL↗

arXiv2026

Bulk Ising superconductivity in an intercalated TaSe2 bilayer structure

Ising spin-orbit coupling in bulk systems has drawn considerable interest for its ability to conveniently construct spin-orbit environments and enable exotic quantum phenomena. In this work, we synthesize intercalated 2Hb-TaSe$_2$ bilayers with noncentrosymmetric structure and, through multifaceted analysis, present multiple lines of evidence for the emergence of bulk Ising superconductivity. Resistivity measurements reveal anisotropic superconducting behavior, with a remarkably large in-plane upper critical field $B_{c2}^{\|}$ that exceeds the Pauli limit $B_{p}$. Band structure calculations further show band splitting accompanied by out-of-plane spin polarization. Collectively, these observations point to the presence of Ising superconductivity. Additional measurements of the thickness-dependent ratio $B_{c2}^{\|}$/$B_{p}$ and the superconducting diode effect not only further support the Ising superconducting nature of this material, but also reveal additional features of bulk Ising superconductivity evolving with thickness. Our findings provide valuable insights that may contribute to the search for bulk Ising superconductors.

cond-mat.supr-con↗

arXiv2026

Adaptive Emotional Video Captioning via Affective Heterogeneous Graph Reasoning and Multi-task Joint Learning

Emotional video captioning (EVC) aims to describe a video with both factual correctness and affective expressiveness. It requires a model to perceive subtle, ambiguous, and temporally varying emotional cues and translate them into natural language without weakening objective visual content. Existing methods have progressively introduced contextual attention, emotion interpretation, emotion priors, dynamic emotion perception and emotion-cause reasoning. Nevertheless, most of them still depend on either global emotion vectors or rigid hierarchical priors. In recent methods, the tree-structured emotion prior establishes a coarse-to-fine connection between psychological emotion categories and daily emotion words, but its hard subordinate masking may irreversibly suppress correct lexical emotions once the coarse category prediction is inaccurate. It is also limited in representing mixed or overlapping emotions that frequently occur in real videos. To address the issues, we propose SAGML, an adaptive EVC framework via affective heterogeneous graph and multi-task language modeling. Instead of treating the emotion prior as a discrete tree, SAGML constructs a soft affective heterogeneous graph containing catalog-level emotion nodes and lexical-level emotion word nodes. The soft gate is injected into video-to-emotion graph attention as a continuous bias, allowing visually supported lexical emotions to remain recoverable rather than being removed by a hard mask. The resulting affective representation is fed together with visual tokens into a causal language decoder, while dual catalog and lexical heads impose explicit emotion distribution learning on the prompt hidden states. The overall model is trained with a joint objective that combines autoregressive caption generation and emotion distribution supervision. SAGML provides an error-resilient and multi-emotion-aware baseline for EVC.

cs.CV↗

arXiv2026

WGDnet: Wishart-guided Geometric-aware Deep Network for PolSAR Image Classification

Polarimetric Synthetic Aperture Radar (PolSAR) classification underpins all-weather Earth observation. Conventional Wishart methods depend on rigid handcrafted operators with limited adaptability, while mainstream deep networks ignore PolSAR native Wishart scattering statistics. Additionally, fixed convolution windows fail to capture multi-scale, multi-directional terrain patterns, harming boundary detection and small-object characterization. To mitigate these drawbacks, we propose WGDNet, a Wishart-guided geometric-aware deep network. It integrates three core designs: (1) learnable Wishart convolutions with directional kernels for multi-scale statistical edge feature extraction; (2) an orientation-prior aggregation module that estimates dominant local directions and confidences to refine directional Wishart outputs adaptively; (3) GAnet, a scale-direction adaptive geometric-aware convolution that dynamically reshapes sampling grids to model anisotropic terrain and retain fine details. Our contributions lie in learnable Wishart statistical modeling, orientation-prior feature aggregation, and geometry-adaptive convolution. Evaluations across four real PolSAR datasets verify WGDNet surpasses existing state-of-the-art approaches in classification accuracy and boundary fidelity.

cs.CV↗

arXiv2026

ForeSplat: Optimization-Aware Foresight for Feed-Forward 3D Gaussian Splatting

Feed-forward 3D Gaussian Splatting models offer fast single-pass reconstruction,but scaling them to match per-scene optimization quality is fundamentally hindered by the scarcity of large-scale 3D annotations. A practical compromise is predict-then-refine,where post-prediction optimization compensates for the limited capacity of the feed-forward network. However,standard feed-forward 3DGS is trained solely for zero-step rendering error,ignoring whether its output constitutes a good initialization for the downstream optimizer. We present ForeSplat,an optimization-aware training framework that equips feed-forward 3DGS models to produce initializations explicitly designed for rapid,effective refinement. By offloading part of the scene-modeling burden to the optimizer,ForeSplat substantially reduces the capacity pressure on the feed-forward model,making high-quality reconstruction feasible even with compact networks. At its core is MetaGrad,a lightweight multi-anchor meta-gradient training rule that bypasses costly higher-order differentiation through the 3DGS optimizer. MetaGrad unrolls a short inner-loop refinement trajectory,samples anchor states,and back-propagates aggregated first-order gradients to the prediction head as a surrogate optimization-aware signal. This fine-tuning adds no inference cost and enables high-quality reconstruction within seconds after a few refinement steps. We instantiate ForeSplat on diverse backbones,including AnySplat,Pi3X,and a distilled variant tailored for edge deployment. Across all tested architectures,a ForeSplat-trained initialization converges in fewer refinement steps and reaches a higher peak reconstruction quality than its vanilla counterpart,even fully converged. The framework consistently bridges the gap between amortized prediction and per-scene optimization,establishing a practical path toward lightweight,high-fidelity 3D reconstruction.

cs.CV↗

arXiv2026

NeighborDiv: Training-free Zero-shot Generalist Graph Anomaly Detection via Neighbor Diversity

Graph Anomaly Detection (GAD) is increasingly shifting to Generalist GAD (GGAD) for cross-domain "one-for-all" detection, but existing GGAD methods predominantly rely on the neighbor consistency principle, falling into the \textbf{Node-to-Neighbor Consistency Paradigm} for anomaly quantification. These methods suffer from complex training pipelines, heavy training data dependency, high computational costs, and unstable cross-domain generalization. To address these limitations, we propose NeighborDiv, a training-free generalist graph anomaly detection framework based on neighbor diversity. Departing from the dominant Node-to-Neighbor Consistency Paradigm, we shift the focus to the \textbf{Neighbor-to-Neighbor Diversity Paradigm}, and uncover that the internal structural dispersion of a node's neighbor set is a powerful, independently discriminative anomaly signal. We quantify neighbor diversity via the variance of inter-neighbor feature similarities, which captures how a node organizes its local graph environment, and operates independently of conventional node-to-neighbor consistency frameworks. Extensive experiments under two standard GGAD evaluation paradigms show NeighborDiv achieves state-of-the-art performance, with relative gains of 10.25% in average AUC and 17.78% in average AP over the second-best baseline under Single-Domain Independent Training (SDIT), and 6.89%/9.58% in AUC/AP under Unified Multi-Domain Training (UMDT), respectively. Notably, NeighborDiv yields zero performance volatility across all datasets, eliminating training-set dependency and establishing a lightweight and highly practical GGAD framework.

cs.LG↗

arXiv2026

From Generalist to Specialist Representation

Given a generalist model, learning a task-relevant specialist representation is fundamental for downstream applications. Identifiability, the asymptotic guarantee of recovering the ground-truth representation, is critical because it sets the ultimate limit of any model, even with infinite data and computation. We study this problem in a completely nonparametric setting, without relying on interventions, parametric forms, or structural constraints. We first prove that the structure between time steps and tasks is identifiable in a fully unsupervised manner, even when sequences lack strict temporal dependence and may exhibit disconnections, and task assignments can follow arbitrarily complex and interleaving structures. We then prove that, within each time step, the task-relevant latent representation can be disentangled from the irrelevant part under a simple sparsity regularization, without any additional information or parametric constraints. Together, these results establish a hierarchical foundation: task structure is identifiable across time steps, and task-relevant latent representations are identifiable within each step. To our knowledge, each result provides a first general nonparametric identifiability guarantee, and together they mark a step toward provably moving from generalist to specialist models.

cs.LG↗

arXiv2026

FineState-Bench: Benchmarking State-Conditioned Grounding for Fine-grained GUI State Setting

Despite the rapid progress of large vision-language models (LVLMs), fine-grained, state-conditioned GUI interaction remains challenging. Current evaluations offer limited coverage, imprecise target-state definitions, and an overreliance on final-task success, obscuring where and why agents fail. To address this gap, we introduce \textbf{FineState-Bench}, a benchmark that evaluates whether an agent can correctly ground an instruction to the intended UI control and reach the exact target state. FineState-Bench comprises 2,209 instances across desktop, web, and mobile platforms, spanning four interaction families and 23 UI component types, with each instance explicitly specifying an exact target state for fine-grained state setting. We further propose \textit{FineState-Metrics}, a four-stage diagnostic pipeline with stage-wise success rates: Localization Success Rate (SR@Loc), Interaction Success Rate (SR@Int), Exact State Success Rate at Locate (ES-SR@Loc), and Exact State Success Rate at Interact (ES-SR@Int), and a plug-and-play \textit{Visual Diagnostic Assistant} (VDA) that generates a Description and a bounding-box Localization Hint to diagnose visual grounding reason via controlled w/ vs.\ w/o comparisons. On FineState-Bench, exact goal-state success remains low: ES-SR@Int peaks at 32.8\% on Web and 22.8\% on average across platforms. With VDA localization hints, Gemini-2.5-Flash gains +14.9 ES-SR@Int points, suggesting substantial headroom from improved visual grounding, yet overall accuracy is still insufficient for reliable fine-grained state-conditioned interaction \href{https://github.com/FengxianJi/FineState-Bench}{Github.}

cs.CV↗

arXiv2026

Joint Design of Doppler-Resilient Unimodular Discrete-Phase Waveforms and Receiving Filters for MIMO Radars

Designing Doppler-resilient unimodular discrete phase-coded waveforms (DPWs) with low delay-Doppler sidelobes is critical for multiple-input multiple-output (MIMO) radar. Existing block coordinate descent (BCD) methods suffer from high computational cost for designing long sequences or large waveform sets. Meanwhile, learning-based alternatives such as the soft-quantization network (SQN) only address correlation optimization in the delay domain, without considering ambiguity function (AF) optimization in the joint delay-Doppler domain. To address these issues, this paper proposes a novel Doppler-resilient DPW design framework, termed SQNGD, for joint transmit-receive optimization that simultaneously optimizes the auto-AF, cross-AF (CAF), and signal-to-noise ratio loss (SNRL) under unimodular constraints. To solve the multi-objective optimization problem (MOOP), a joint transmit-receive design and an alternating optimization strategy are developed. The transmit waveforms are optimized via soft-quantization-based differentiable parameterization, while the receive filters are updated by gradient descent (GD) with an energy constraint and SNRL penalty. An FFT-accelerated evaluation of the AF and CAF is further incorporated, reducing the optimization time by 1.9x - 11x compared with the state-of-the-art (SOTA) majorization-minimization-coordinate descent (MMCD) method. Numerical results show that SQNGD achieves a peak sidelobe level (PSL) of approximately -43 dB over the Doppler range [-0.5,0.5] and -31 dB over [-600,600], respectively, outperforming MMCD by 5.85 dB and 3.45 dB, while maintaining the same SNRL of 0.5 dB.

eess.SP↗

arXiv2026

On the role of inertia and self-sustaining mechanism in two-dimensional elasto-inertial turbulence

Elasto-inertial turbulence (EIT) is primarily driven by polymer elasticity, yet the modulating role of fluid inertia is non-negligible and remains largely unexplored. To investigate the effect of inertia, we perform direct numerical simulations of two-dimensional EIT in channel flow over a wide range of Reynolds numbers ($Re$). We show that increasing inertia promotes both the enhancement of dynamic amplitudes and the wallward migration of core structures. Specifically, inertia intensifies the turbulent fluctuations, facilitates the fragmentation of large-scale structures, and amplifies statistical quantities such as the root-mean-square of velocity fluctuations and polymer extension. The peak location of nonlinear elastic shear stress follows a scaling law $y^+ \propto Re_\tau^{1/2}$, closely resembling that of Reynolds shear stress in Newtonian turbulence, indicating a change of the momentum transfer mechanism. Meanwhile, the peak location of energy conversion between elastic and turbulent kinetic energies exhibits a $y^+ \propto Re_\tau^{0.1}$ scaling law migration, remaining mostly confined to the near-wall region. Remarkably, despite the inertial modulation, the probability density functions (PDFs) of velocity and elastic stress fluctuations extracted at the energy-conversion peak collapse convincingly over the range of $Re$ investigated. This reveals a robust statistical self-similarity across a wide range of inertia magnitude. Furthermore, the PDFs of wall-normal velocity and elastic stress fluctuations exhibit pronounced exponential heavy tails.

physics.flu-dyn↗

arXiv2026

SCHK-HTC: Sibling Contrastive Learning with Hierarchical Knowledge-Aware Prompt Tuning for Hierarchical Text Classification

Few-shot Hierarchical Text Classification (few-shot HTC) is a challenging task that involves mapping texts to a predefined tree-structured label hierarchy under data-scarce conditions. While current approaches utilize structural constraints from the label hierarchy to maintain parent-child prediction consistency, they face a critical bottleneck, the difficulty in distinguishing semantically similar sibling classes due to insufficient domain knowledge. We introduce an innovative method named Sibling Contrastive Learning with Hierarchical Knowledge-aware Prompt Tuning for few-shot HTC tasks (SCHK-HTC). Our work enhances the model's perception of subtle differences between sibling classes at deeper levels, rather than just enforcing hierarchical rules. Specifically, we propose a novel framework featuring two core components: a hierarchical knowledge extraction module and a sibling contrastive learning mechanism. This design guides model to encode discriminative features at each hierarchy level, thus improving the separability of confusable classes. Our approach achieves superior performance across three benchmark datasets, surpassing existing state-of-the-art methods in most cases. Our code is available at https://github.com/happywinder/SCHK-HTC.

cs.CL↗