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Yusong Wang

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10 papers

2 author rows

AAAI Conference 2026 Conference Paper

Biologically-Inspired Evolutionary Domain Symbiosis for Few-shot and Zero-shot Point Cloud Semantic Segmentation

Changshuo Wang
Zhijian Hu
Xiang Fang
Zai Yang Yu
Yibin Wu
Mingkun Xu
Yusong Wang
Xingyu Gao

Few-shot and zero-shot point cloud semantic segmentation aim to accurately segment novel categories using limited or no labeled samples, respectively. However, existing methods face significant challenges including domain shifts between support and query sets and the inability to handle both few-shot and zero-shot scenarios within a unified framework. To address these issues, we propose a biologically-inspired Evolutionary Domain Symbiosis Network EDS-Net for unified few-shot and zero-shot point cloud semantic segmentation. Specifically, inspired by natural symbiotic evolution, we propose a Symbiotic Evolution Module (SEM) that models co-adaptation between support and query features through self-correlation and cross-correlation mechanisms. Second, motivated by genetic crossover mechanisms, we introduce a Vision-Semantic Bridging Module (VSBM) that treats visual prototypes and semantic prototypes as two “parent” individuals, creating fused offspring prototypes through adaptive crossover operations and mutation strategies for zero-shot scenarios. Third, we develop a multi-generational evolutionary optimization framework employing an adaptive gating network to learn optimal fusion weights across different evolutionary stages. Extensive experiments demonstrate that EDS-Net with biological interpretability achieves state-of-the-art performance on both few-shot and zero-shot settings.

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AAAI Conference 2026 Conference Paper

MMPG: MoE-based Adaptive Multi-Perspective Graph Fusion for Protein Representation Learning

Yusong Wang
Jialun Shen
Zhihao Wu
Yicheng Xu
Shiyin Tan
Mingkun Xu
Changshuo Wang
Zixing Song

Graph Neural Networks (GNNs) have been widely adopted for Protein Representation Learning (PRL), as residue interaction networks can be naturally represented as graphs. Current GNN-based PRL methods typically rely on single-perspective graph construction strategies, which capture partial properties of residue interactions, resulting in incomplete protein representations. To address this limitation, we propose MMPG, a framework that constructs protein graphs from multiple perspectives and adaptively fuses them via Mixture of Experts (MoE) for PRL. MMPG constructs graphs from physical, chemical, and geometric perspectives to characterize different properties of residue interactions. To capture both perspective-specific features and their synergies, we develop an MoE module, which dynamically routes perspectives to specialized experts, where experts learn intrinsic features and cross-perspective interactions. We quantitatively verify that MoE automatically specializes experts in modeling distinct levels of interaction—from individual representations, to pairwise inter-perspective synergies, and ultimately to a global consensus across all perspectives. Through integrating this multi-level information, MMPG produces superior protein representations and achieves advanced performance on four different downstream protein tasks.

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AAAI Conference 2025 Conference Paper

BIG-FUSION: Brain-Inspired Global-Local Context Fusion Framework for Multimodal Emotion Recognition in Conversations

Yusong Wang
Xuanye Fang
Huifeng Yin
Dongyuan Li
Guoqi Li
Qi Xu
Yi Xu
Shuai Zhong

Considering the importance of capturing both global conversational topics and local speaker dependencies for multimodal emotion recognition in conversations, current approaches first utilize sequence models like Transformer to extract global context information, then apply Graph Neural Networks to model local speaker dependencies for local context information extraction, coupled with Graph Contrastive Learning (GCL) to enhance node representation learning. However, this sequential design introduces potential biases: the extracted global context information inevitably influences subsequent processing, compromising the independence and diversity of the original local features; current graph augmentation methods in GCL cannot consider both global and local context information in conversations to evaluate the node importance, hindering the learning of key information. Inspired by the human brain excels at handling complex tasks by efficiently integrating local and global information processing mechanisms, we propose an aligned global-local context fusion framework for sequence-based design to address these problems. This design includes a dual-attention Transformer and a dual-evaluation method for graph augmentation in GCL. The dual-attention Transformer combines global attention for overall context extraction with sliding-window attention for local context capture, both enhanced by spiking neuron dynamics. The dual-evaluation method in GCL comprises global importance evaluation to identify nodes crucial for overall conversation context, and local importance evaluation to detect nodes significant for local semantics, generating augmented graph views that preserve both global and local information. This approach ensures balanced information processing throughout the pipeline, enhancing biological plausibility and achieving superior emotion recognition.

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NeurIPS Conference 2025 Conference Paper

Riemannian Consistency Model

Chaoran Cheng
Yusong Wang
Yuxin Chen
Xiangxin Zhou
Nanning Zheng
Ge Liu

Consistency models are a class of generative models that enable few-step generation for diffusion and flow matching models. While consistency models have achieved promising results on Euclidean domains like images, their applications to Riemannian manifolds remain challenging due to the curved geometry. In this work, we propose the Riemannian Consistency Model (RCM), which, for the first time, enables few-step consistency modeling while respecting the intrinsic manifold constraint imposed by the Riemannian geometry. Leveraging the covariant derivative and exponential-map-based parameterization, we derive the closed-form solutions for both discrete- and continuous-time training objectives for RCM. We then demonstrate theoretical equivalence between the two variants of RCM: Riemannian consistency distillation (RCD) that relies on a teacher model to approximate the marginal vector field, and Riemannian consistency training (RCT) that utilizes the conditional vector field for training. We further propose a simplified training objective that eliminates the need for the complicated differential calculation. Finally, we provide a unique kinematics perspective for interpreting the RCM objective, offering new theoretical angles. Through extensive experiments, we manifest the superior generative quality of RCM in few-step generation on various non-Euclidean manifolds, including flat-tori, spheres, and the 3D rotation group SO(3), spanning a variety of crucial real-world applications such as RNA and protein generation.

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ICML Conference 2025 Conference Paper

Variance as a Catalyst: Efficient and Transferable Semantic Erasure Adversarial Attack for Customized Diffusion Models

Jiachen Yang
Yusong Wang
Yanmei Fang
Yunshu Dai
Fangjun Huang

Latent Diffusion Models (LDMs) enable fine-tuning with only a few images and have become widely used on the Internet. However, it can also be misused to generate fake images, leading to privacy violations and social risks. Existing adversarial attack methods primarily introduce noise distortions to generated images but fail to completely erase identity semantics. In this work, we identify the variance of VAE latent code as a key factor that influences image distortion. Specifically, larger variances result in stronger distortions and ultimately erase semantic information. Based on this finding, we propose a Laplace-based (LA) loss function that optimizes along the fastest variance growth direction, ensuring each optimization step is locally optimal. Additionally, we analyze the limitations of existing methods and reveal that their loss functions often fail to align gradient signs with the direction of variance growth. They also struggle to ensure efficient optimization under different variance distributions. To address these issues, we further propose a novel Lagrange Entropy-based (LE) loss function. Experimental results demonstrate that our methods achieve state-of-the-art performance on CelebA-HQ and VGGFace2. Both proposed loss functions effectively lead diffusion models to generate pure-noise images with identity semantics completely erased. Furthermore, our methods exhibit strong transferability across diverse models and efficiently complete attacks with minimal computational resources. Our work provides a practical and efficient solution for privacy protection.

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NeurIPS Conference 2024 Conference Paper

Advancing Cross-domain Discriminability in Continual Learning of Vision-Language Models

Yicheng Xu
Yuxin Chen
Jiahao Nie
Yusong Wang
Huiping Zhuang
Manabu Okumura

Continual learning (CL) with Vision-Language Models (VLMs) has overcome the constraints of traditional CL, which only focuses on previously encountered classes. During the CL of VLMs, we need not only to prevent the catastrophic forgetting on incrementally learned knowledge but also to preserve the zero-shot ability of VLMs. However, existing methods require additional reference datasets to maintain such zero-shot ability and rely on domain-identity hints to classify images across different domains. In this study, we propose Regression-based Analytic Incremental Learning (RAIL), which utilizes a recursive ridge regression-based adapter to learn from a sequence of domains in a non-forgetting manner and decouple the cross-domain correlations by projecting features to a higher-dimensional space. Cooperating with a training-free fusion module, RAIL absolutely preserves the VLM's zero-shot ability on unseen domains without any reference data. Additionally, we introduce Cross-domain Task-Agnostic Incremental Learning (X-TAIL) setting. In this setting, a CL learner is required to incrementally learn from multiple domains and classify test images from both seen and unseen domains without any domain-identity hint. We theoretically prove RAIL's absolute memorization on incrementally learned domains. Experiment results affirm RAIL's state-of-the-art performance in both X-TAIL and existing Multi-domain Task-Incremental Learning settings. The code is released at https: //github. com/linghan1997/Regression-based-Analytic-Incremental-Learning.

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ICLR Conference 2024 Conference Paper

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation

Yunyang Li
Yusong Wang
Lin Huang
Han Yang
Xinran Wei
Jia Zhang 0004
Tong Wang 0014
Zun Wang

Computational simulation of chemical and biological systems using *ab initio* molecular dynamics has been a challenge over decades. Researchers have attempted to address the problem with machine learning and fragmentation-based methods. However, the two approaches fail to give a satisfactory description of long-range and many-body interactions, respectively. Inspired by fragmentation-based methods, we propose the Long-Short-Range Message-Passing (LSR-MP) framework as a generalization of the existing equivariant graph neural networks (EGNNs) with the intent to incorporate long-range interactions efficiently and effectively. We apply the LSR-MP framework to the recently proposed ViSNet and demonstrate the state-of-the-art results with up to 40% MAE reduction for molecules in MD22 and Chignolin datasets. Consistent improvements to various EGNNs will also be discussed to illustrate the general applicability and robustness of our LSR-MP framework. The code for our experiments and trained model weights could be found at https://github.com/liyy2/LSR-MP.

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NeurIPS Conference 2024 Conference Paper

Neural P$^3$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs

Yusong Wang
Chaoran Cheng
Shaoning Li
Yuxuan Ren
Bin Shao
Ge Liu
Pheng-Ann Heng
Nanning Zheng

Geometric graph neural networks (GNNs) have emerged as powerful tools for modeling molecular geometry. However, they encounter limitations in effectively capturing long-range interactions in large molecular systems. To address this challenge, we introduce **Neural P$^3$M**, a versatile enhancer of geometric GNNs to expand the scope of their capabilities by incorporating mesh points alongside atoms and reimaging traditional mathematical operations in a trainable manner. Neural P$^3$M exhibits flexibility across a wide range of molecular systems and demonstrates remarkable accuracy in predicting energies and forces, outperforming on benchmarks such as the MD22 dataset. It also achieves an average improvement of 22% on the OE62 dataset while integrating with various architectures. Codes are available at https: //github. com/OnlyLoveKFC/Neural_P3M.

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NeurIPS Conference 2023 Conference Paper

Geometric Transformer with Interatomic Positional Encoding

Yusong Wang
Shaoning Li
Tong Wang
Bin Shao
Nanning Zheng
Tie-Yan Liu

The widespread adoption of Transformer architectures in various data modalities has opened new avenues for the applications in molecular modeling. Nevertheless, it remains elusive that whether the Transformer-based architecture can do molecular modeling as good as equivariant GNNs. In this paper, by designing Interatomic Positional Encoding (IPE) thatparameterizes atomic environments as Transformer's positional encodings, we propose Geoformer, a novel geometric Transformer to effectively model molecular structures for various molecular property prediction. We evaluate Geoformer on several benchmarks, including the QM9 dataset and the recently proposed Molecule3D dataset. Compared with both Transformers and equivariant GNN models, Geoformer outperforms the state-of-the-art (SoTA) algorithms on QM9, and achieves the best performance on Molecule3D for both random and scaffold splits. By introducing IPE, Geoformer paves the way for molecular geometric modeling based on Transformer architecture. Codes are available at https: //github. com/microsoft/AI2BMD/tree/Geoformer.

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TMLR Journal 2022 Journal Article

Direct Molecular Conformation Generation

Jinhua Zhu
Yingce Xia
Chang Liu
Lijun Wu
Shufang Xie
Yusong Wang
Tong Wang
Tao Qin

Molecular conformation generation aims to generate three-dimensional coordinates of all the atoms in a molecule and is an important task in bioinformatics and pharmacology. Previous methods usually first predict the interatomic distances, the gradients of interatomic distances or the local structures (e.g., torsion angles) of a molecule, and then reconstruct its 3D conformation. How to directly generate the conformation without the above intermediate values is not fully explored. In this work, we propose a method that directly predicts the coordinates of atoms: (1) the loss function is invariant to roto-translation of coordinates and permutation of symmetric atoms; (2) the newly proposed model adaptively aggregates the bond and atom information and iteratively refines the coordinates of the generated conformation. Our method achieves the best results on GEOM-QM9 and GEOM-Drugs datasets. Further analysis shows that our generated conformations have closer properties (e.g., HOMO-LUMO gap) with the groundtruth conformations. In addition, our method improves molecular docking by providing better initial conformations. All the results demonstrate the effectiveness of our method and the great potential of the direct approach. The code is released at \url{https://github.com/DirectMolecularConfGen/DMCG}.

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