arXiv subjects

Xiangyang Xu

Publications and source records attributed to Xiangyang Xu.

9 recordsLinked to original sources

arXiv2026

Beyond Action Imitation: Learning a Decision-Aware User Simulator for Online Advertising

Recent advances in LLM-based user simulation have shown promise for offline evaluation of recommendation and advertising systems. However, existing simulators typically infer user preferences from single-domain interaction histories and are primarily optimized to reproduce observable actions such as clicks. Consequently, they capture only a partial view of user preferences, while action-only prediction easily induces model shortcuts and limits both the fidelity and diagnostic value of simulation. To address these challenges, we propose DASH, a decision-aware user simulator that jointly generates thinking traces and predicts behavioral actions from heterogeneous cross-domain histories. DASH first introduces a Context Engineering stage that folds heterogeneous cross-domain histories into decision-relevant context, together with prompt optimization for effective reasoning over the folded context. To train a user simulator, DASH distills thinking trajectories from strong LLMs as SFT data, and further tailors a rubric-based reward model that evaluates thinking traces along form, content, and logic for RL training. Combined with the action reward, these signals jointly improve action prediction and thinking quality. Extensive experiments on real-world Tencent advertising data spanning five heterogeneous content domains demonstrate the effectiveness, efficiency, fidelity, and diagnostic value of DASH.

cs.IR↗

arXiv2025

M-GLC: Motif-Driven Global-Local Context Graphs for Few-shot Molecular Property Prediction

Molecular property prediction (MPP) is a cornerstone of drug discovery and materials science, yet conventional deep learning approaches depend on large labeled datasets that are often unavailable. Few-shot Molecular property prediction (FSMPP) addresses this scarcity by incorporating relational inductive bias through a context graph that links molecule nodes to property nodes, but such molecule-property graphs offer limited structural guidance. We propose a comprehensive solution: Motif Driven Global-Local Context Graph for few-shot molecular property prediction, which enriches contextual information at both the global and local levels. At the global level, chemically meaningful motif nodes representing shared substructures, such as rings or functional groups, are introduced to form a global tri-partite heterogeneous graph, yielding motif-molecule-property connections that capture long-range compositional patterns and enable knowledge transfer among molecules with common motifs. At the local level, we build a subgraph for each node in the molecule-property pair and encode them separately to concentrate the model's attention on the most informative neighboring molecules and motifs. Experiments on five standard FSMPP benchmarks demonstrate that our framework consistently outperforms state-of-the-art methods. These results underscore the effectiveness of integrating global motif knowledge with fine-grained local context to advance robust few-shot molecular property prediction.

cs.LG↗

arXiv2025

Flow-Matching Based Refiner for Molecular Conformer Generation

Low-energy molecular conformers generation (MCG) is a foundational yet challenging problem in drug discovery. Denoising-based methods include diffusion and flow-matching methods that learn mappings from a simple base distribution to the molecular conformer distribution. However, these approaches often suffer from error accumulation during sampling, especially in the low SNR steps, which are hard to train. To address these challenges, we propose a flow-matching refiner for the MCG task. The proposed method initializes sampling from mixed-quality outputs produced by upstream denoising models and reschedules the noise scale to bypass the low-SNR phase, thereby improving sample quality. On the GEOM-QM9 and GEOM-Drugs benchmark datasets, the generator-refiner pipeline improves quality with fewer total denoising steps while preserving diversity.

cs.LG↗

arXiv2024

G2T-LLM: Graph-to-Tree Text Encoding for Molecule Generation with Fine-Tuned Large Language Models

We introduce G2T-LLM, a novel approach for molecule generation that uses graph-to-tree text encoding to transform graph-based molecular structures into a hierarchical text format optimized for large language models (LLMs). This encoding converts complex molecular graphs into tree-structured formats, such as JSON and XML, which LLMs are particularly adept at processing due to their extensive pre-training on these types of data. By leveraging the flexibility of LLMs, our approach allows for intuitive interaction using natural language prompts, providing a more accessible interface for molecular design. Through supervised fine-tuning, G2T-LLM generates valid and coherent chemical structures, addressing common challenges like invalid outputs seen in traditional graph-based methods. While LLMs are computationally intensive, they offer superior generalization and adaptability, enabling the generation of diverse molecular structures with minimal task-specific customization. The proposed approach achieved comparable performances with state-of-the-art methods on various benchmark molecular generation datasets, demonstrating its potential as a flexible and innovative tool for AI-driven molecular design.

cs.LG↗

arXiv2023

DWRSeg: Rethinking Efficient Acquisition of Multi-scale Contextual Information for Real-time Semantic Segmentation

Many current works directly adopt multi-rate depth-wise dilated convolutions to capture multi-scale contextual information simultaneously from one input feature map, thus improving the feature extraction efficiency for real-time semantic segmentation. However, this design may lead to difficult access to multi-scale contextual information because of the unreasonable structure and hyperparameters. To lower the difficulty of drawing multi-scale contextual information, we propose a highly efficient multi-scale feature extraction method, which decomposes the original single-step method into two steps, Region Residualization-Semantic Residualization. In this method, the multi-rate depth-wise dilated convolutions take a simpler role in feature extraction: performing simple semantic-based morphological filtering with one desired receptive field in the second step based on each concise feature map of region form provided by the first step, to improve their efficiency. Moreover, the dilation rates and the capacity of dilated convolutions for each network stage are elaborated to fully utilize all the feature maps of region form that can be achieved.Accordingly, we design a novel Dilation-wise Residual (DWR) module and a Simple Inverted Residual (SIR) module for the high and low level network, respectively, and form a powerful DWR Segmentation (DWRSeg) network. Extensive experiments on the Cityscapes and CamVid datasets demonstrate the effectiveness of our method by achieving a state-of-the-art trade-off between accuracy and inference speed, in addition to being lighter weight. Without pretraining or resorting to any training trick, we achieve an mIoU of 72.7% on the Cityscapes test set at a speed of 319.5 FPS on one NVIDIA GeForce GTX 1080 Ti card, which exceeds the latest methods of a speed of 69.5 FPS and 0.8% mIoU. The code and trained models are publicly available.

cs.CV↗

arXiv2020

No vortex in straight flows -- on the eigen-representations of velocity gradient

Velocity gradient is the basis of many vortex recognition methods, such as Q criterion, $Δ$ criterion, $λ_{2}$ criterion, $λ_{ci}$ criterion and $Ω$ criterion, etc.. Except the $λ_{ci}$ criterion, all these criterions recognize vortices by designing various invariants, based on the Helmholtz decomposition that decomposes velocity gradient into strain rate and spin. In recent years, the intuition of 'no vortex in straight flows' has promoted people to analyze the vortex state directly from the velocity gradient, in which vortex can be distinguished from the situation that the velocity gradient has couple complex eigenvalues. A specious viewpoint to adopt the simple shear as an independent flow mode was emphasized by many authors, among them, Kolar proposed the triple decomposition of motion by extracting a so-called effective pure shearing motion; Li et al. introduced the so-called quaternion decomposition of velocity gradient and proposed the concept of eigen rotation; Liu et al. further mined the characteristic information of velocity gradient and put forward an effective algorithm of Liutex, and then developed the vortex recognition method. However, there is another explanation for the increasingly clear representation of velocity gradient, that is the local streamline pattern based on critical-point theory. In this paper, the tensorial expressions of the right/left real Schur forms of velocity gradient are clarified from the characteristic problem of velocity gradient. The relations between the involved parameters are derived and numerically verified. Comparing with the geometrical features of local streamline pattern, we confirm that the parameters in the right eigen-representation based on the right real Schur form of velocity gradient have good meanings to reveal the local streamline pattern. Some illustrative examples from the DNS data are presented.

physics.flu-dyn↗

arXiv2019

Dual-branch residual network for lung nodule segmentation

An accurate segmentation of lung nodules in computed tomography (CT) images is critical to lung cancer analysis and diagnosis. However, due to the variety of lung nodules and the similarity of visual characteristics between nodules and their surroundings, a robust segmentation of nodules becomes a challenging problem. In this study, we propose the Dual-branch Residual Network (DB-ResNet) which is a data-driven model. Our approach integrates two new schemes to improve the generalization capability of the model: 1) the proposed model can simultaneously capture multi-view and multi-scale features of different nodules in CT images; 2) we combine the features of the intensity and the convolution neural networks (CNN). We propose a pooling method, called the central intensity-pooling layer (CIP), to extract the intensity features of the center voxel of the block, and then use the CNN to obtain the convolutional features of the center voxel of the block. In addition, we designed a weighted sampling strategy based on the boundary of nodules for the selection of those voxels using the weighting score, to increase the accuracy of the model. The proposed method has been extensively evaluated on the LIDC dataset containing 986 nodules. Experimental results show that the DB-ResNet achieves superior segmentation performance with an average dice score of 82.74% on the dataset. Moreover, we compared our results with those of four radiologists on the same dataset. The comparison showed that our average dice score was 0.49% higher than that of human experts. This proves that our proposed method is as good as the experienced radiologist.

cs.CV↗

arXiv2019

Two-Stage Convolutional Neural Network Architecture for Lung Nodule Detection

Early detection of lung cancer is an effective way to improve the survival rate of patients. It is a critical step to have accurate detection of lung nodules in computed tomography (CT) images for the diagnosis of lung cancer. However, due to the heterogeneity of the lung nodules and the complexity of the surrounding environment, robust nodule detection has been a challenging task. In this study, we propose a two-stage convolutional neural network (TSCNN) architecture for lung nodule detection. The CNN architecture in the first stage is based on the improved UNet segmentation network to establish an initial detection of lung nodules. Simultaneously, in order to obtain a high recall rate without introducing excessive false positive nodules, we propose a novel sampling strategy, and use the offline hard mining idea for training and prediction according to the proposed cascaded prediction method. The CNN architecture in the second stage is based on the proposed dual pooling structure, which is built into three 3D CNN classification networks for false positive reduction. Since the network training requires a significant amount of training data, we adopt a data augmentation method based on random mask. Furthermore, we have improved the generalization ability of the false positive reduction model by means of ensemble learning. The proposed method has been experimentally verified on the LUNA dataset. Experimental results show that the proposed TSCNN architecture can obtain competitive detection performance.

cs.CV↗

arXiv2016

Do They All Look the Same? Deciphering Chinese, Japanese and Koreans by Fine-Grained Deep Learning

We study to what extend Chinese, Japanese and Korean faces can be classified and which facial attributes offer the most important cues. First, we propose a novel way of obtaining large numbers of facial images with nationality labels. Then we train state-of-the-art neural networks with these labeled images. We are able to achieve an accuracy of 75.03% in the classification task, with chances being 33.33% and human accuracy 38.89% . Further, we train multiple facial attribute classifiers to identify the most distinctive features for each group. We find that Chinese, Japanese and Koreans do exhibit substantial differences in certain attributes, such as bangs, smiling, and bushy eyebrows. Along the way, we uncover several gender-related cross-country patterns as well. Our work, which complements existing APIs such as Microsoft Cognitive Services and Face++, could find potential applications in tourism, e-commerce, social media marketing, criminal justice and even counter-terrorism.

cs.CV↗