Zero-shot graph machine learning, especially with graph neural networks (GNNs), has garnered significant interest due to the challenge of scarce labeled data. While methods like self-supervised learning and graph prompt learning have been extensively explored, they often rely on fine-tuning with task-specific labels, limiting their effectiveness in zero-shot scenarios. Inspired by the zero-shot capabilities of instruction-fine-tuned large language models (LLMs), we introduce a novel framework named Token Embedding-Aligned Graph Language Model (TEA-GLM) that leverages LLMs as cross-dataset and cross-task zero-shot learners for graph machine learning.

However, they can also be conveniently incorporated into other platforms. Firstly, the high dimensionality of fMRI data presents a significant hurdle. Furthermore, the interpretation and analysis of fMRI data can be time-consuming and subjective. The graphical representation of fMRI data offers a plethora of opportunities to tackle these challenges. Several initiatives have been undertaken in the past decade to assemble comprehensive fMRI datasets.

Zero-shot graph machine learning, especially with graph neural networks (GNNs), has garnered significant interest due to the challenge of scarce labeled data. While methods like self-supervised learning and graph prompt learning have been extensively explored, they often rely on fine-tuning with task-specific labels, limiting their effectiveness in zero-shot scenarios. Inspired by the zero-shot capabilities of instruction-fine-tuned large language models (LLMs), we introduce a novel framework named Token Embedding-Aligned Graph Language Model (TEA-GLM) that leverages LLMs as cross-dataset and cross-task zero-shot learners for graph machine learning. We then train a linear projector that transforms the GNN's representations into a fixed number of graph token embeddings without tuning the LLM. A unified instruction is designed for various graph tasks at different levels, such as node classification (node-level) and link prediction (edge-level).

Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional magnetic resonance imaging (MRI) research, interactions between brain regions are commonly modeled using graph-based representations. The potency of graph machine learning methods has been established across myriad domains, marking a transformative step in data interpretation and predictive modeling. Yet, despite their promise, the transposition of these techniques to the neuroimaging domain has been challenging due to the expansive number of potential preprocessing pipelines and the large parameter search space for graph-based dataset construction. In this paper, we introduce NeuroGraph, a collection of graph-based neuroimaging datasets, and demonstrated its utility for predicting multiple categories of behavioral and cognitive traits.

Graph machine learning (GML) has been successfully applied across a wide range of tasks. Nonetheless, GML faces significant challenges in generalizing over out-of-distribution (OOD) data, which raises concerns about its wider applicability. Recent advancements have underscored the crucial role of causality-driven approaches in overcoming these generalization challenges. Distinct from traditional GML methods that primarily rely on statistical dependencies, causality-focused strategies delve into the underlying causal mechanisms of data generation and model prediction, thus significantly improving the generalization of GML across different environments. This paper offers a thorough review of recent progress in causality-involved GML generalization. We elucidate the fundamental concepts of employing causality to enhance graph model generalization and categorize the various approaches, providing detailed descriptions of their methodologies and the connections among them. Furthermore, we explore the incorporation of causality in other related important areas of trustworthy GML, such as explanation, fairness, and robustness. Concluding with a discussion on potential future research directions, this review seeks to articulate the continuing development and future potential of causality in enhancing the trustworthiness of graph machine learning.

Bilevel optimization refers to scenarios whereby the optimal solution of a lower-level energy function serves as input features to an upper-level objective of interest. These optimal features typically depend on tunable parameters of the lower-level energy in such a way that the entire bilevel pipeline can be trained end-to-end. Although not generally presented as such, this paper demonstrates how a variety of graph learning techniques can be recast as special cases of bilevel optimization or simplifications thereof. In brief, building on prior work we first derive a more flexible class of energy functions that, when paired with various descent steps (e.g., gradient descent, proximal methods, momentum, etc.), form graph neural network (GNN) message-passing layers; critically, we also carefully unpack where any residual approximation error lies with respect to the underlying constituent message-passing functions. We then probe several simplifications of this framework to derive close connections with non-GNN-based graph learning approaches, including knowledge graph embeddings, various forms of label propagation, and efficient graph-regularized MLP models. And finally, we present supporting empirical results that demonstrate the versatility of the proposed bilevel lens, which we refer to as BloomGML, referencing that BiLevel Optimization Offers More Graph Machine Learning. Our code is available at https://github.com/amberyzheng/BloomGML. Let graph ML bloom.

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite their practical success, our theoretical understanding of the properties of GNNs remains highly incomplete. Recent theoretical advancements primarily focus on elucidating the coarse-grained expressive power of GNNs, predominantly employing combinatorial techniques. However, these studies do not perfectly align with practice, particularly in understanding the generalization behavior of GNNs when trained with stochastic first-order optimization techniques. In this position paper, we argue that the graph machine learning community needs to shift its attention to developing a more balanced theory of graph machine learning, focusing on a more thorough understanding of the interplay of expressive power, generalization, and optimization.

Graph Neural Networks (GNNs) are gaining attention in data science and machine learning but still remain poorly understood outside expert circles. To grasp this exciting approach, we must start with the broader field of Graph Machine Learning (GML). Many online resources talk about GNNs and GML as if they are interchangeable concepts or as if GNNs are a panacea approach that makes other GML approaches obsolete. This is simply not the case. One of GML's primary purposes is to compress large sparse graph data structures to enable feasible prediction and inference.

A graph is a relatively old mathematical data entity that is a set of connected elements. Since the graph is a very flexible structure and allows you to store information in a form familiar and convenient to humans, graphs have always been used in computer science and technology. With the rise of machine learning and deep learning, graphs have gained even more popularity by creating the field of graph machine learning. In this post, I would like to share with you the most useful Python libraries I've used for graph/network analysis, visualization, and machine learning. Before that, let me tell you a few words about graph theory and graph machine learning and provide some learning resources that may be helpful to you. If you don't know what graph or graph machine learning is, that is a great opportunity to lift the veil of secrecy!

Graph Machine Learning (GraphML), whereby classical machine learning is generalized to irregular graph domains, has enjoyed a recent renaissance, leading to a dizzying array of models and their applications in several domains. With its growing applicability to sensitive domains and regulations by governmental agencies for trustworthy AI systems, researchers have started looking into the issues of transparency and privacy of graph learning. However, these topics have been mainly investigated independently. In this position paper, we provide a unified perspective on the interplay of privacy and transparency in GraphML. In particular, we describe the challenges and possible research directions for a formal investigation of privacy-transparency tradeoffs in GraphML.