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Predicting materials properties from composition or structure is of great interest to the materials science community. Deep learning has recently garnered considerable interest in materials predictive tasks with low model errors when…

Modern data introduces new challenges to classic signal processing approaches, leading to a growing interest in the field of graph signal processing. A powerful and well established model for real world signals in various domains is sparse…

Large Language Models (LLMs) demonstrate strong reasoning abilities but face limitations such as hallucinations and outdated knowledge. Knowledge Graph (KG)-based Retrieval-Augmented Generation (RAG) addresses these issues by grounding LLM…

Text-attributed graphs (TAGs) are prevalent on the web and research over TAGs such as citation networks, e-commerce networks and social networks has attracted considerable attention in the web community. Recently, large language models…

Large language models (LLMs) demand considerable computational, energy, and financial resources during both training and deployment. While scaling laws for training have guided much of the field's recent progress, inference costs now…

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…

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor…

Foundation models, such as Large Language Models (LLMs), can respond to a wide range of format-free queries without any task-specific data collection or model training, creating various research and application opportunities for the…

State-of-the-art results in large language models (LLMs) often rely on scale, which becomes computationally expensive. This has sparked a research agenda to reduce these models' parameter counts and computational costs without significantly…

A general lack of understanding pertaining to deep feedforward neural networks (DNNs) can be attributed partly to a lack of tools with which to analyze the composition of non-linear functions, and partly to a lack of mathematical models…

Graph Neural Architecture Search (GNAS) facilitates the automatic design of Graph Neural Networks (GNNs) tailored to specific downstream graph learning tasks. However, existing GNAS approaches often require manual adaptation to new graph…

The growing complexity and diversity of news coverage have made framing analysis a crucial yet challenging task in computational social science. Traditional approaches, including manual annotation and fine-tuned models, remain limited by…

Large Artificial Intelligence Models (LAMs) powered by massive datasets, extensive parameter scales, and extensive computational resources, leading to significant transformations across various industries. Yet, their practical deployment on…

A deep neural network (DNN) model consisting of two hidden layers was proposed for predicting the immediate environments of specific atoms based on X-ray absorption near-edge spectra (XANES). The output layer of the DNN can be adjusted to…

Machine learning methods on graphs have proven useful in many applications due to their ability to handle generally structured data. The framework of Gaussian Markov Random Fields (GMRFs) provides a principled way to define Gaussian models…

We propose near-optimal overlay networks based on $d$-regular expander graphs to accelerate decentralized federated learning (DFL) and improve its generalization. In DFL a massive number of clients are connected by an overlay network, and…

Differentiable solvers for the linear assignment problem (LAP) have attracted much research attention in recent years, which are usually embedded into learning frameworks as components. However, previous algorithms, with or without learning…

The scattering transform is a multilayered wavelet-based deep learning architecture that acts as a model of convolutional neural networks. Recently, several works have introduced generalizations of the scattering transform for non-Euclidean…

Scaling laws for large language models (LLMs) have provided useful guidance in training ever larger models for predictable performance gains. Time series forecasting shares a similar sequential structure to language, and is amenable to…

Deep learning-based approaches have been developed to solve challenging problems in wireless communications, leading to promising results. Early attempts adopted neural network architectures inherited from applications such as computer…