Ziwei Zhang

Ziwei Zhang, Haoyang Li, Zeyang Zhang et al. · tsinghua

Large models have emerged as the most recent groundbreaking achievements in artificial intelligence, and particularly machine learning. However, when it comes to graphs, large models have not achieved the same level of success as in other fields, such as natural language processing and computer vision. In order to promote applying large models for graphs forward, we present a perspective paper to discuss the challenges and opportunities associated with developing large graph models. First, we discuss the desired characteristics of large graph models. Then, we present detailed discussions from three key perspectives: representation basis, graph data, and graph models. In each category, we provide a brief overview of recent advances and highlight the remaining challenges together with our visions. Finally, we discuss valuable applications of large graph models. We believe this perspective can encourage further investigations into large graph models, ultimately pushing us one step closer towards artificial general intelligence (AGI). We are the first to comprehensively study large graph models, to the best of our knowledge.

Tianyin Liao, Chunyu Hu, Yicheng Sui et al.

Link prediction is a fundamental task in graph machine learning with widespread applications such as recommendation systems, drug discovery, knowledge graphs, etc. In the foundation model era, how to develop universal link prediction methods across datasets and domains becomes a key problem, with some initial attempts adopting Graph Foundation Models utilizing Graph Neural Networks and Large Language Models. However, the existing methods face notable limitations, including limited pre-training scale or heavy reliance on textual information. Motivated by the success of tabular foundation models (TFMs) in achieving universal prediction across diverse tabular datasets, we explore an alternative approach by TFMs, which are pre-trained on diverse synthetic datasets sampled from structural causal models and support strong in-context learning independent of textual attributes. Nevertheless, adapting TFMs for link prediction faces severe technical challenges such as how to obtain the necessary context and capture link-centric topological information. To solve these challenges, we propose TFMLinker (Tabular Foundation Model for Link Predictor), aiming to leverage the in-context learning capabilities of TFMs to perform link prediction across diverse graphs without requiring dataset-specific fine-tuning. Specifically, we first develop a prototype-augmented local-global context module to construct context that captures both graph-specific and cross-graph transferable patterns. Next, we design a universal topology-aware link encoder to capture link-centric topological information and generate link representations as inputs for the TFM. Finally, we employ the TFM to predict link existence through in-context learning. Experiments on 6 graph benchmarks across diverse domains demonstrate the superiority of our method over state-of-the-art baselines without requiring dataset-specific finetuning.

Chuanyue Yu, Jiahui Wang, Yuhan Li et al.

Diffusion Language Models (DLMs) have recently demonstrated remarkable capabilities in natural language processing tasks. However, the potential of Retrieval-Augmented Generation (RAG), which shows great successes for enhancing large language models (LLMs), has not been well explored, due to the fundamental difference between LLM and DLM decoding. To fill this critical gap, we systematically test the performance of DLMs within the RAG framework. Our findings reveal that DLMs coupled with RAG show promising potentials with stronger dependency on contextual information, but suffer from limited generation precision. We identify a key underlying issue: Response Semantic Drift (RSD), where the generated answer progressively deviates from the query's original semantics, leading to low precision content. We trace this problem to the denoising strategies in DLMs, which fail to maintain semantic alignment with the query throughout the iterative denoising process. To address this, we propose Semantic-Preserving REtrieval-Augmented Diffusion (SPREAD), a novel framework that introduces a query-relevance-guided denoising strategy. By actively guiding the denoising trajectory, SPREAD ensures the generation remains anchored to the query's semantics and effectively suppresses drift. Experimental results demonstrate that SPREAD significantly enhances the precision and effectively mitigates RSD of generated answers within the RAG framework.

Zeyang Zhang, Xin Wang, Ziwei Zhang et al. · tsinghua

Dynamic graph neural networks (DyGNNs) currently struggle with handling distribution shifts that are inherent in dynamic graphs. Existing work on DyGNNs with out-of-distribution settings only focuses on the time domain, failing to handle cases involving distribution shifts in the spectral domain. In this paper, we discover that there exist cases with distribution shifts unobservable in the time domain while observable in the spectral domain, and propose to study distribution shifts on dynamic graphs in the spectral domain for the first time. However, this investigation poses two key challenges: i) it is non-trivial to capture different graph patterns that are driven by various frequency components entangled in the spectral domain; and ii) it remains unclear how to handle distribution shifts with the discovered spectral patterns. To address these challenges, we propose Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts (SILD), which can handle distribution shifts on dynamic graphs by capturing and utilizing invariant and variant spectral patterns. Specifically, we first design a DyGNN with Fourier transform to obtain the ego-graph trajectory spectrums, allowing the mixed dynamic graph patterns to be transformed into separate frequency components. We then develop a disentangled spectrum mask to filter graph dynamics from various frequency components and discover the invariant and variant spectral patterns. Finally, we propose invariant spectral filtering, which encourages the model to rely on invariant patterns for generalization under distribution shifts. Experimental results on synthetic and real-world dynamic graph datasets demonstrate the superiority of our method for both node classification and link prediction tasks under distribution shifts.

Zeyu Li, Ruitong Gan, Chuanchen Luo et al.

Driven by powerful image diffusion models, recent research has achieved the automatic creation of 3D objects from textual or visual guidance. By performing score distillation sampling (SDS) iteratively across different views, these methods succeed in lifting 2D generative prior to the 3D space. However, such a 2D generative image prior bakes the effect of illumination and shadow into the texture. As a result, material maps optimized by SDS inevitably involve spurious correlated components. The absence of precise material definition makes it infeasible to relight the generated assets reasonably in novel scenes, which limits their application in downstream scenarios. In contrast, humans can effortlessly circumvent this ambiguity by deducing the material of the object from its appearance and semantics. Motivated by this insight, we propose MaterialSeg3D, a 3D asset material generation framework to infer underlying material from the 2D semantic prior. Based on such a prior model, we devise a mechanism to parse material in 3D space. We maintain a UV stack, each map of which is unprojected from a specific viewpoint. After traversing all viewpoints, we fuse the stack through a weighted voting scheme and then employ region unification to ensure the coherence of the object parts. To fuel the learning of semantics prior, we collect a material dataset, named Materialized Individual Objects (MIO), which features abundant images, diverse categories, and accurate annotations. Extensive quantitative and qualitative experiments demonstrate the effectiveness of our method.

Tianyin Liao, Ziwei Zhang, Yufei Sun et al.

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under distribution shifts. Graph invariant learning, aiming to capture generalizable graph structural patterns with labels under distribution shifts, is potentially a promising solution, but how to design attention mechanisms and positional and structural encodings (PSEs) based on graph invariant learning principles remains challenging. To solve these challenges, we introduce Graph Out-Of-Distribution generalized Transformer (GOODFormer), aiming to learn generalized graph representations by capturing invariant relationships between predictive graph structures and labels through jointly optimizing three modules. Specifically, we first develop a GT-based entropy-guided invariant subgraph disentangler to separate invariant and variant subgraphs while preserving the sharpness of the attention function. Next, we design an evolving subgraph positional and structural encoder to effectively and efficiently capture the encoding information of dynamically changing subgraphs during training. Finally, we propose an invariant learning module utilizing subgraph node representations and encodings to derive generalizable graph representations that can to unseen graphs. We also provide theoretical justifications for our method. Extensive experiments on benchmark datasets demonstrate the superiority of our method over state-of-the-art baselines under distribution shifts.

Cong Ma, Changshui Yang, Fan Yang et al.

Multi-Object Tracking (MOT) is a challenging task in the complex scene such as surveillance and autonomous driving. In this paper, we propose a novel tracklet processing method to cleave and re-connect tracklets on crowd or long-term occlusion by Siamese Bi-Gated Recurrent Unit (GRU). The tracklet generation utilizes object features extracted by CNN and RNN to create the high-confidence tracklet candidates in sparse scenario. Due to mis-tracking in the generation process, the tracklets from different objects are split into several sub-tracklets by a bidirectional GRU. After that, a Siamese GRU based tracklet re-connection method is applied to link the sub-tracklets which belong to the same object to form a whole trajectory. In addition, we extract the tracklet images from existing MOT datasets and propose a novel dataset to train our networks. The proposed dataset contains more than 95160 pedestrian images. It has 793 different persons in it. On average, there are 120 images for each person with positions and sizes. Experimental results demonstrate the advantages of our model over the state-of-the-art methods on MOT16.