Abstract:Graphs are ubiquitous data structures found in numerous real-world applications, such as drug discovery, recommender systems, and social network analysis. Graph neural networks (GNNs) have become a popular tool to learn node embeddings through message passing on these structures. However, a significant challenge arises when applying GNNs to multiple graphs with different feature spaces, as existing GNN architectures are not designed for cross-graph feature alignment. To address this, recent approaches introduce text-attributed graphs, where each node is associated with a textual description, enabling the use of a shared textual encoder to project nodes from different graphs into a unified feature space. While promising, this method relies heavily on the availability of text-attributed data, which can be difficult to obtain in practice. To bridge this gap, we propose a novel method named Topology-Aware Node description Synthesis (TANS), which leverages large language models (LLMs) to automatically convert existing graphs into text-attributed graphs. The key idea is to integrate topological information with each node's properties, enhancing the LLMs' ability to explain how graph topology influences node semantics. We evaluate our TANS on text-rich, text-limited, and text-free graphs, demonstrating that it enables a single GNN to operate across diverse graphs. Notably, on text-free graphs, our method significantly outperforms existing approaches that manually design node features, showcasing the potential of LLMs for preprocessing graph-structured data, even in the absence of textual information. The code and data are available at https://github.com/Zehong-Wang/TANS.
Abstract:The prevalence of unhealthy eating habits has become an increasingly concerning issue in the United States. However, major food recommendation platforms (e.g., Yelp) continue to prioritize users' dietary preferences over the healthiness of their choices. Although efforts have been made to develop health-aware food recommendation systems, the personalization of such systems based on users' specific health conditions remains under-explored. In addition, few research focus on the interpretability of these systems, which hinders users from assessing the reliability of recommendations and impedes the practical deployment of these systems. In response to this gap, we first establish two large-scale personalized health-aware food recommendation benchmarks at the first attempt. We then develop a novel framework, Multi-Objective Personalized Interpretable Health-aware Food Recommendation System (MOPI-HFRS), which provides food recommendations by jointly optimizing the three objectives: user preference, personalized healthiness and nutritional diversity, along with an large language model (LLM)-enhanced reasoning module to promote healthy dietary knowledge through the interpretation of recommended results. Specifically, this holistic graph learning framework first utilizes two structure learning and a structure pooling modules to leverage both descriptive features and health data. Then it employs Pareto optimization to achieve designed multi-facet objectives. Finally, to further promote the healthy dietary knowledge and awareness, we exploit an LLM by utilizing knowledge-infusion, prompting the LLMs with knowledge obtained from the recommendation model for interpretation.
Abstract:Graph Neural Networks (GNNs) have demonstrated their effectiveness in various graph learning tasks, yet their reliance on neighborhood aggregation during inference poses challenges for deployment in latency-sensitive applications, such as real-time financial fraud detection. To address this limitation, recent studies have proposed distilling knowledge from teacher GNNs into student Multi-Layer Perceptrons (MLPs) trained on node content, aiming to accelerate inference. However, these approaches often inadequately explore structural information when inferring unseen nodes. To this end, we introduce SimMLP, a Self-supervised framework for learning MLPs on graphs, designed to fully integrate rich structural information into MLPs. Notably, SimMLP is the first MLP-learning method that can achieve equivalence to GNNs in the optimal case. The key idea is to employ self-supervised learning to align the representations encoded by graph context-aware GNNs and neighborhood dependency-free MLPs, thereby fully integrating the structural information into MLPs. We provide a comprehensive theoretical analysis, demonstrating the equivalence between SimMLP and GNNs based on mutual information and inductive bias, highlighting SimMLP's advanced structural learning capabilities. Additionally, we conduct extensive experiments on 20 benchmark datasets, covering node classification, link prediction, and graph classification, to showcase SimMLP's superiority over state-of-the-art baselines, particularly in scenarios involving unseen nodes (e.g., inductive and cold-start node classification) where structural insights are crucial. Our codes are available at: https://github.com/Zehong-Wang/SimMLP.
Abstract:Inspired by the success of foundation models in applications such as ChatGPT, as graph data has been ubiquitous, one can envision the far-reaching impacts that can be brought by Graph Foundation Models (GFMs) with broader applications in the areas such as scientific research, social network analysis, drug discovery, and e-commerce. Despite the significant progress of pre-trained graph neural networks, there haven't been GFMs that can achieve desired performance on various graph-learning-related tasks. Building GFMs may rely on a vocabulary that encodes transferable patterns shared among different tasks and domains. Unlike image and text, defining such transferable patterns for graphs remains an open question. In this paper, we aim to bridge this gap by rethinking the transferable patterns on graphs as computation trees -- i.e., tree structures derived from the message-passing process. Based on this insight, we propose a cross-task, cross-domain graph foundation model named GFT, short for Graph Foundation model with transferable Tree vocabulary. By treating computation trees as tokens within the transferable vocabulary, GFT improves model generalization and reduces the risk of negative transfer. The theoretical analyses and extensive experimental studies have demonstrated the transferability of computation trees and shown the effectiveness of GFT across diverse tasks and domains in graph learning. The open source code and data are available at https://github.com/Zehong-Wang/GFT.
Abstract:Large Language Models (LLMs) are increasingly employed for simulations, enabling applications in role-playing agents and Computational Social Science (CSS). However, the reliability of these simulations is under-explored, which raises concerns about the trustworthiness of LLMs in these applications. In this paper, we aim to answer ``How reliable is LLM-based simulation?'' To address this, we introduce TrustSim, an evaluation dataset covering 10 CSS-related topics, to systematically investigate the reliability of the LLM simulation. We conducted experiments on 14 LLMs and found that inconsistencies persist in the LLM-based simulated roles. In addition, the consistency level of LLMs does not strongly correlate with their general performance. To enhance the reliability of LLMs in simulation, we proposed Adaptive Learning Rate Based ORPO (AdaORPO), a reinforcement learning-based algorithm to improve the reliability in simulation across 7 LLMs. Our research provides a foundation for future studies to explore more robust and trustworthy LLM-based simulations.
Abstract:Biomedical image segmentation is crucial for accurately diagnosing and analyzing various diseases. However, Convolutional Neural Networks (CNNs) and Transformers, the most commonly used architectures for this task, struggle to effectively capture long-range dependencies due to the inherent locality of CNNs and the computational complexity of Transformers. To address this limitation, we introduce TTT-Unet, a novel framework that integrates Test-Time Training (TTT) layers into the traditional U-Net architecture for biomedical image segmentation. TTT-Unet dynamically adjusts model parameters during the testing time, enhancing the model's ability to capture both local and long-range features. We evaluate TTT-Unet on multiple medical imaging datasets, including 3D abdominal organ segmentation in CT and MR images, instrument segmentation in endoscopy images, and cell segmentation in microscopy images. The results demonstrate that TTT-Unet consistently outperforms state-of-the-art CNN-based and Transformer-based segmentation models across all tasks. The code is available at https://github.com/rongzhou7/TTT-Unet.
Abstract:Vision Transformers (ViTs) have achieved remarkable performance in various image classification tasks by leveraging the attention mechanism to process image patches as tokens. However, the high computational and memory demands of ViTs pose significant challenges for deployment in resource-constrained environments. This paper introduces ViT-1.58b, a novel 1.58-bit quantized ViT model designed to drastically reduce memory and computational overhead while preserving competitive performance. ViT-1.58b employs ternary quantization, which refines the balance between efficiency and accuracy by constraining weights to {-1, 0, 1} and quantizing activations to 8-bit precision. Our approach ensures efficient scaling in terms of both memory and computation. Experiments on CIFAR-10 and ImageNet-1k demonstrate that ViT-1.58b maintains comparable accuracy to full-precision Vit, with significant reductions in memory usage and computational costs. This paper highlights the potential of extreme quantization techniques in developing sustainable AI solutions and contributes to the broader discourse on efficient model deployment in practical applications. Our code and weights are available at https://github.com/DLYuanGod/ViT-1.58b.
Abstract:Graph Neural Networks (GNNs) have demonstrated effectiveness in various graph learning tasks, yet their reliance on message-passing constraints their deployment in latency-sensitive applications such as financial fraud detection. Recent works have explored distilling knowledge from GNNs to Multi-Layer Perceptrons (MLPs) to accelerate inference. However, this task-specific supervised distillation limits generalization to unseen nodes, which are prevalent in latency-sensitive applications. To this end, we present \textbf{\textsc{SimMLP}}, a \textbf{\textsc{Sim}}ple yet effective framework for learning \textbf{\textsc{MLP}}s on graphs without supervision, to enhance generalization. \textsc{SimMLP} employs self-supervised alignment between GNNs and MLPs to capture the fine-grained and generalizable correlation between node features and graph structures, and proposes two strategies to alleviate the risk of trivial solutions. Theoretically, we comprehensively analyze \textsc{SimMLP} to demonstrate its equivalence to GNNs in the optimal case and its generalization capability. Empirically, \textsc{SimMLP} outperforms state-of-the-art baselines, especially in settings with unseen nodes. In particular, it obtains significant performance gains {\bf (7$\sim$26\%)} over MLPs and inference acceleration over GNNs {\bf (90$\sim$126$\times$)} on large-scale graph datasets. Our codes are available at: \url{https://github.com/Zehong-Wang/SimMLP}.
Abstract:Transfer learning aims to boost the learning on the target task leveraging knowledge learned from other relevant tasks. However, when the source and target are not closely related, the learning performance may be adversely affected, a phenomenon known as negative transfer. In this paper, we investigate the negative transfer in graph transfer learning, which is important yet underexplored. We reveal that, unlike image or text, negative transfer commonly occurs in graph-structured data, even when source and target graphs share semantic similarities. Specifically, we identify that structural differences significantly amplify the dissimilarities in the node embeddings across graphs. To mitigate this, we bring a new insight: for semantically similar graphs, although structural differences lead to significant distribution shift in node embeddings, their impact on subgraph embeddings could be marginal. Building on this insight, we introduce two effective yet elegant methods, Subgraph Pooling (SP) and Subgraph Pooling++ (SP++), that transfer subgraph-level knowledge across graphs. We theoretically analyze the role of SP in reducing graph discrepancy and conduct extensive experiments to evaluate its superiority under various settings. Our code and datasets are available at: https://github.com/Zehong-Wang/Subgraph-Pooling.
Abstract:Large language models (LLMs), exemplified by ChatGPT, have gained considerable attention for their excellent natural language processing capabilities. Nonetheless, these LLMs present many challenges, particularly in the realm of trustworthiness. Therefore, ensuring the trustworthiness of LLMs emerges as an important topic. This paper introduces TrustLLM, a comprehensive study of trustworthiness in LLMs, including principles for different dimensions of trustworthiness, established benchmark, evaluation, and analysis of trustworthiness for mainstream LLMs, and discussion of open challenges and future directions. Specifically, we first propose a set of principles for trustworthy LLMs that span eight different dimensions. Based on these principles, we further establish a benchmark across six dimensions including truthfulness, safety, fairness, robustness, privacy, and machine ethics. We then present a study evaluating 16 mainstream LLMs in TrustLLM, consisting of over 30 datasets. Our findings firstly show that in general trustworthiness and utility (i.e., functional effectiveness) are positively related. Secondly, our observations reveal that proprietary LLMs generally outperform most open-source counterparts in terms of trustworthiness, raising concerns about the potential risks of widely accessible open-source LLMs. However, a few open-source LLMs come very close to proprietary ones. Thirdly, it is important to note that some LLMs may be overly calibrated towards exhibiting trustworthiness, to the extent that they compromise their utility by mistakenly treating benign prompts as harmful and consequently not responding. Finally, we emphasize the importance of ensuring transparency not only in the models themselves but also in the technologies that underpin trustworthiness. Knowing the specific trustworthy technologies that have been employed is crucial for analyzing their effectiveness.