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Large Language Models (LLMs) have demonstrated substantial efficacy in advancing graph-structured data analysis. Prevailing LLM-based graph methods excel in adapting LLMs to text-rich graphs, wherein node attributes are text descriptions.…

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

Likelihood based-learning of graphical models faces challenges of computational-complexity and robustness to model mis-specification. This paper studies methods that fit parameters directly to maximize a measure of the accuracy of predicted…

Adsorption energy is a reactivity descriptor that must be accurately predicted for effective machine learning (ML) application in catalyst screening. This process involves determining the lowest energy across various adsorption…

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

We propose a theoretical framework for training Graph Neural Networks (GNNs) on large input graphs via training on small, fixed-size sampled subgraphs. This framework is applicable to a wide range of models, including popular sampling-based…

Graph neural networks (GNNs) and heterogeneous graph neural networks (HGNNs) are prominent techniques for homogeneous and heterogeneous graph representation learning, yet their performance in an end-to-end supervised framework greatly…

Large language models (LLMs) often suffer from hallucination, generating factually incorrect statements when handling questions beyond their knowledge and perception. Retrieval-augmented generation (RAG) addresses this by retrieving…

Graph representation learning has recently been applied to a broad spectrum of problems ranging from computer graphics and chemistry to high energy physics and social media. The popularity of graph neural networks has sparked interest, both…

Novel vision sensors such as thermal, hyperspectral, polarization, and event cameras provide information that is not available from conventional intensity cameras. An obstacle to using these sensors with current powerful deep neural…

Graph partitioning (GP) is a classic problem that divides the node set of a graph into densely-connected blocks. Following the IEEE HPEC Graph Challenge and recent advances in pre-training techniques (e.g., large-language models), we…

The application of deep learning to symbolic domains remains an active research endeavour. Graph neural networks (GNN), consisting of trained neural modules which can be arranged in different topologies at run time, are sound alternatives…

Deep Neural Networks (DNNs) have become the de-facto standard in computer vision, as well as in many other pattern recognition tasks. A key drawback of DNNs is that the training phase can be very computationally expensive. Organizations or…

Recent findings have shown that highly over-parameterized Neural Networks generalize without pretraining or explicit regularization. It is achieved with zero training error, i.e., complete over-fitting by memorizing the training data. This…

Graph neural networks (GNNs) are commonly used in semi-supervised settings. Previous research has primarily focused on finding appropriate graph filters (e.g. aggregation methods) to perform well on both homophilic and heterophilic graphs.…

Graph Neural Networks (GNNs) are widely adopted in Web-related applications, serving as a core technique for learning from graph-structured data, such as text-attributed graphs. Yet in real-world scenarios, such graphs exhibit deficiencies…

This paper explores the use of foundational large language models (LLMs) in hyperparameter optimization (HPO). Hyperparameters are critical in determining the effectiveness of machine learning models, yet their optimization often relies on…

Large Language Models (LLMs) face significant limitations when applied to large-scale graphs, struggling with context constraints and inflexible reasoning. We present GraphChain, a framework that enables LLMs to analyze complex graphs…

Prompt engineering is a powerful tool used to enhance the performance of pre-trained models on downstream tasks. For example, providing the prompt "Let's think step by step" improved GPT-3's reasoning accuracy to 63% on MutiArith while…

We present a new paradigm for fine-tuning large-scale visionlanguage pre-trained models on downstream task, dubbed Prompt Regularization (ProReg). Different from traditional fine-tuning which easily overfits to the downstream task data,…