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Xinyi Wu

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13 papers

2 author rows

NeurIPS Conference 2025 Conference Paper

A Signed Graph Approach to Understanding and Mitigating Oversmoothing

Jiaqi Wang
Xinyi Wu
James Cheng
Yifei Wang

Deep graph neural networks (GNNs) often suffer from oversmoothing, where node representations become overly homogeneous with increasing depth. While techniques like normalization, residual connections, and edge dropout have been proposed to mitigate oversmoothing, they are typically developed independently, with limited theoretical understanding of their underlying mechanisms. In this work, we present a unified theoretical perspective based on the framework of signed graphs, showing that many existing strategies implicitly introduce negative edges that alter message-passing to resist oversmoothing. However, we show that merely adding negative edges in an unstructured manner is insufficient—the asymptotic behavior of signed propagation depends critically on the strength and organization of positive and negative edges. To address this limitation, we leverage the theory of structural balance, which promotes stable, cluster-preserving dynamics by connecting similar nodes with positive edges and dissimilar ones with negative edges. We propose Structural Balanced Propagation (SBP), a plug-and-play method that assigns signed edges based on either labels or feature similarity to explicitly enhance structural balance in the constructed signed graphs. Experiments on nine benchmarks across both homophilic and heterophilic settings demonstrate that SBP consistently improves classification accuracy and mitigates oversmoothing, even at depths of up to 300 layers. Our results provide a principled explanation for prior oversmoothing remedies and introduce a new direction for signed message-passing design in deep GNNs. Our code is available at https: //github. com/kokolerk/sbp.

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ICML Conference 2025 Conference Paper

Does One-shot Give the Best Shot? Mitigating Model Inconsistency in One-shot Federated Learning

Hui Zeng
Wenke Huang 0003
Tongqing Zhou
Xinyi Wu
Guancheng Wan
Yingwen Chen 0001
Zhiping Cai

Turning the multi-round vanilla Federated Learning into one-shot FL (OFL) significantly reduces the communication burden and makes a big leap toward practical deployment. However, this work empirically and theoretically unravels that existing OFL falls into a garbage (inconsistent one-shot local models) in and garbage (degraded global model) out pitfall. The inconsistency manifests as divergent feature representations and sample predictions. This work presents a novel OFL framework FAFI that enhances the one-shot training on the client side to essentially overcome inferior local uploading. Specifically, unsupervised feature alignment and category-wise prototype learning are adopted for clients’ local training to be consistent in representing local samples. On this basis, FAFI uses informativeness-aware feature fusion and prototype aggregation for global inference. Extensive experiments on three datasets demonstrate the effectiveness of FAFI, which facilitates superior performance compared with 11 OFL baselines (+10. 86% accuracy). Code available at https: //github. com/zenghui9977/FAFI_ICML25

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JBHI Journal 2025 Journal Article

Enhancing Predictions of Drug Solubility Through Multidimensional Structural Characterization Exploitation

Ziyu Fan
Linying Chen
Xinyi Wu
Zhijian Huang
Lei Deng

Solubility is not only a significant physical property of molecules but also a vital factor in small-molecule drug development. Determining drug solubility demands stringent equipment, controlled environments, and substantial human and material resources. The accurate prediction of drug solubility using computational methods has long been a goal for researchers. In this study, we introduce MSCSol, a solubility prediction model that integrates multidimensional molecular structure information. We incorporate a graph neural network with geometric vector perceptrons (GVP-GNN) to encode 3D molecular structures, representing spatial arrangement and orientation of atoms, as well as atomic sequences and interactions. We also employ Selective Kernel Convolution combined with Global and Local attention mechanisms to capture molecular features context at different scales. Additionally, various descriptors are calculated to enrich the molecular representation. For the 2D and 3D structural data of molecules, we design different data augmentation strategies to enhance generalization ability and prevent the model from learning irrelevant information. Extensive experiments on benchmark and independent datasets demonstrate MSCSol's superior performance. Ablation studies further confirm the effectiveness of different modules. Interpretability analysis highlights the importance of various atomic groups and substructures for solubility and verifies that our model effectively captures functional molecular structures and higher-order knowledge.

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NeurIPS Conference 2024 Conference Paper

On the Role of Attention Masks and LayerNorm in Transformers

Xinyi Wu
Amir Ajorlou
Yifei Wang
Stefanie Jegelka
Ali Jadbabaie

Self-attention is the key mechanism of transformers, which are the essential building blocks of modern foundation models. Recent studies have shown that pure self-attention suffers from an increasing degree of rank collapse as depth increases, limiting model expressivity and further utilization of model depth. The existing literature on rank collapse, however, has mostly overlooked other critical components in transformers that may alleviate the rank collapse issue. In this paper, we provide a general analysis of rank collapse under self-attention, taking into account the effects of attention masks and layer normalization (LayerNorm). In particular, we find that although pure masked attention still suffers from exponential collapse to a rank one subspace, sparse or local masked attention can provably slow down the collapse rate. In the case of self-attention with LayerNorm, we first show that for certain classes of value matrices, collapse to a rank one subspace still happens exponentially. However, through construction of nontrivial counterexamples, we then establish that with proper choice of value matrices, a general class of sequences may not converge to a rank one subspace, and the self-attention dynamics with LayerNorm can simultaneously possess a rich set of equilibria with any possible rank between one and full. Our result refutes the previous hypothesis that LayerNorm plays no role in the rank collapse of self-attention and suggests that self-attention with LayerNorm constitutes a much more expressive, versatile nonlinear dynamical system than what was originally thought.

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AAAI Conference 2024 Conference Paper

Text-Based Occluded Person Re-identification via Multi-Granularity Contrastive Consistency Learning

Xinyi Wu
Wentao Ma
Dan Guo
Tongqing Zhou
Shan Zhao
Zhiping Cai

Text-based Person Re-identification (T-ReID), which aims at retrieving a specific pedestrian image from a collection of images via text-based information, has received significant attention. However, previous research has overlooked a challenging yet practical form of T-ReID: dealing with image galleries mixed with occluded and inconsistent personal visuals, instead of ideal visuals with a full-body and clear view. Its major challenges lay in the insufficiency of benchmark datasets and the enlarged semantic gap incurred by arbitrary occlusions and modality gap between text description and visual representation of the target person. To alleviate these issues, we first design an Occlusion Generator (OGor) for the automatic generation of artificial occluded images from generic surveillance images. Then, a fine-granularity token selection mechanism is proposed to minimize the negative impact of occlusion for robust feature learning, and a novel multi-granularity contrastive consistency alignment framework is designed to leverage intra-/inter-granularity of visual-text representations for semantic alignment of occluded visuals and query texts. Experimental results demonstrate that our method exhibits superior performance. We believe this work could inspire the community to investigate more dedicated designs for implementing T-ReID in real-world scenarios. The source code is available at https://github.com/littlexinyi/MGCC.

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AAAI Conference 2024 Conference Paper

Translate Meanings, Not Just Words: IdiomKB’s Role in Optimizing Idiomatic Translation with Language Models

Shuang Li
Jiangjie Chen
Siyu Yuan
Xinyi Wu
Hao Yang
Shimin Tao
Yanghua Xiao

To translate well, machine translation (MT) systems and general-purposed language models (LMs) need a deep understanding of both source and target languages and cultures. Therefore, idioms, with their non-compositional nature, pose particular challenges for Transformer-based systems, as literal translations often miss the intended meaning. Traditional methods, which replace idioms using existing knowledge bases (KBs), often lack scale and context-awareness. Addressing these challenges, our approach prioritizes context-awareness and scalability, allowing for offline storage of idioms in a manageable KB size. This ensures efficient serving with smaller models and provides a more comprehensive understanding of idiomatic expressions. We introduce a multilingual idiom KB (IdiomKB) developed using large LMs to address this. This KB facilitates better translation by smaller models, such as BLOOMZ (7.1B), Alpaca (7B), and InstructGPT (6.7B), by retrieving idioms' figurative meanings. We present a novel, GPT-4-powered metric for human-aligned evaluation, demonstrating that IdiomKB considerably boosts model performance. Human evaluations further validate our KB's quality.

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TMLR Journal 2023 Journal Article

Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language models

Aarohi Srivastava
Abhinav Rastogi
Abhishek Rao
Abu Awal Md Shoeb
Abubakar Abid
Adam Fisch
Adam R. Brown
Adam Santoro

Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG- bench). BIG-bench currently consists of 204 tasks, contributed by 450 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood develop- ment, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google- internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit "breakthrough" behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.

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NeurIPS Conference 2023 Conference Paper

Demystifying Oversmoothing in Attention-Based Graph Neural Networks

Xinyi Wu
Amir Ajorlou
Zihui Wu
Ali Jadbabaie

Oversmoothing in Graph Neural Networks (GNNs) refers to the phenomenon where increasing network depth leads to homogeneous node representations. While previous work has established that Graph Convolutional Networks (GCNs) exponentially lose expressive power, it remains controversial whether the graph attention mechanism can mitigate oversmoothing. In this work, we provide a definitive answer to this question through a rigorous mathematical analysis, by viewing attention-based GNNs as nonlinear time-varying dynamical systems and incorporating tools and techniques from the theory of products of inhomogeneous matrices and the joint spectral radius. We establish that, contrary to popular belief, the graph attention mechanism cannot prevent oversmoothing and loses expressive power exponentially. The proposed framework extends the existing results on oversmoothing for symmetric GCNs to a significantly broader class of GNN models, including random walk GCNs, Graph Attention Networks (GATs) and (graph) transformers. In particular, our analysis accounts for asymmetric, state-dependent and time-varying aggregation operators and a wide range of common nonlinear activation functions, such as ReLU, LeakyReLU, GELU and SiLU.

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AAAI Conference 2023 Conference Paper

Few-Shot 3D Point Cloud Semantic Segmentation via Stratified Class-Specific Attention Based Transformer Network

Canyu Zhang
Zhenyao Wu
Xinyi Wu
Ziyu Zhao
Song Wang

3D point cloud semantic segmentation aims to group all points into different semantic categories, which benefits important applications such as point cloud scene reconstruction and understanding. Existing supervised point cloud semantic segmentation methods usually require large-scale annotated point clouds for training and cannot handle new categories. While a few-shot learning method was proposed recently to address these two problems, it suffers from high computational complexity caused by graph construction and inability to learn fine-grained relationships among points due to the use of pooling operations. In this paper, we further address these problems by developing a new multi-layer transformer network for few-shot point cloud semantic segmentation. In the proposed network, the query point cloud features are aggregated based on the class-specific support features in different scales. Without using pooling operations, our method makes full use of all pixel-level features from the support samples. By better leveraging the support features for few-shot learning, the proposed method achieves the new state-of-the-art performance, with 15% less inference time, over existing few-shot 3D point cloud segmentation models on the S3DIS dataset and the ScanNet dataset. Our code is available at https://github.com/czzhang179/SCAT.

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AAAI Conference 2023 Conference Paper

Parametric Surface Constrained Upsampler Network for Point Cloud

Pingping Cai
Zhenyao Wu
Xinyi Wu
Song Wang

Designing a point cloud upsampler, which aims to generate a clean and dense point cloud given a sparse point representation, is a fundamental and challenging problem in computer vision. A line of attempts achieves this goal by establishing a point-to-point mapping function via deep neural networks. However, these approaches are prone to produce outlier points due to the lack of explicit surface-level constraints. To solve this problem, we introduce a novel surface regularizer into the upsampler network by forcing the neural network to learn the underlying parametric surface represented by bicubic functions and rotation functions, where the new generated points are then constrained on the underlying surface. These designs are integrated into two different networks for two tasks that take advantages of upsampling layers -- point cloud upsampling and point cloud completion for evaluation. The state-of-the-art experimental results on both tasks demonstrate the effectiveness of the proposed method. The implementation code will be available at https://github.com/corecai163/PSCU.

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AAAI Conference 2022 Conference Paper

Style Mixing and Patchwise Prototypical Matching for One-Shot Unsupervised Domain Adaptive Semantic Segmentation

Xinyi Wu
Zhenyao Wu
Yuhang Lu
Lili Ju
Song Wang

In this paper, we tackle the problem of one-shot unsupervised domain adaptation (OSUDA) for semantic segmentation where the segmentors only see one unlabeled target image during training. In this case, traditional unsupervised domain adaptation models usually fail since they cannot adapt to the target domain with over-fitting to one (or few) target samples. To address this problem, existing OSUDA methods usually integrate a style-transfer module to perform domain randomization based on the unlabeled target sample, with which multiple domains around the target sample can be explored during training. However, such a style-transfer module relies on an additional set of images as style reference for pre-training and also increases the memory demand for domain adaptation. Here we propose a new OSUDA method that can effectively relieve such computational burden. Specifically, we integrate several style-mixing layers into the segmentor which play the role of style-transfer module to stylize the source images without introducing any learned parameters. Moreover, we propose a patchwise prototypical matching (PPM) method to weighted consider the importance of source pixels during the supervised training to relieve the negative adaptation. Experimental results show that our method achieves new state-of-the-art performance on two commonly used benchmarks for domain adaptive semantic segmentation under the one-shot setting and is more efficient than all comparison approaches.

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AAAI Conference 2021 Conference Paper

Binaural Audio-Visual Localization

Xinyi Wu
Zhenyao Wu
Lili Ju
Song Wang

Localizing sound sources in a visual scene has many important applications and quite a few traditional or learning-based methods have been proposed for this task. Humans have the ability to roughly localize sound sources within or beyond the range of the vision using their binaural system. However most existing methods use monaural audio, instead of binaural audio, as a modality to help the localization. In addition, prior works usually localize sound sources in the form of object-level bounding boxes in images or videos and evaluate the localization accuracy by examining the overlap between the ground-truth and predicted bounding boxes. This is too rough since a real sound source is often only a part of an object. In this paper, we propose a deep learning method for pixel-level sound source localization by leveraging both binaural recordings and the corresponding videos. Specifically, we design a novel Binaural Audio-Visual Network (BAVNet), which concurrently extracts and integrates features from binaural recordings and videos. We also propose a point-annotation strategy to construct pixel-level ground truth for network training and performance evaluation. Experimental results on Fair-Play and YT-Music datasets demonstrate the effectiveness of the proposed method and show that binaural audio can greatly improve the performance of localizing the sound sources, especially when the quality of the visual information is limited.

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AAAI Conference 2020 Conference Paper

SalSAC: A Video Saliency Prediction Model with Shuffled Attentions and Correlation-Based ConvLSTM

Xinyi Wu
Zhenyao Wu
Jinglin Zhang
Lili Ju
Song Wang

The performance of predicting human ﬁxations in videos has been much enhanced with the help of development of the convolutional neural networks (CNN). In this paper, we propose a novel end-to-end neural network “SalSAC” for video saliency prediction, which uses the CNN-LSTM-Attention as the basic architecture and utilizes the information from both static and dynamic aspects. To better represent the static information of each frame, we ﬁrst extract multi-level features of same size from different layers of the encoder CNN and calculate the corresponding multi-level attentions, then we randomly shufﬂe these attention maps among levels and multiply them to the extracted multi-level features respectively. Through this way, we leverage the attention consistency across different layers to improve the robustness of the network. On the dynamic aspect, we propose a correlationbased ConvLSTM to appropriately balance the inﬂuence of the current and preceding frames to the prediction. Experimental results on the DHF1K, Hollywood2 and UCF-sports datasets show that SalSAC outperforms many existing stateof-the-art methods.

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