Related papers: Rapid and Automated Alloy Design with Graph Neural…

We present a novel graph neural network we call AgentNet, which is designed specifically for graph-level tasks. AgentNet is inspired by sublinear algorithms, featuring a computational complexity that is independent of the graph size. The…

Designing microstructures with coupled cross-physics objectives is a fundamental challenge where traditional topology optimization is often computationally prohibitive and deep generative models frequently suffer from physical…

Recently, Graph Neural Networks (GNNs) have gained popularity in a variety of real-world scenarios. Despite the great success, the architecture design of GNNs heavily relies on manual labor. Thus, automated graph neural network (AutoGNN)…

The design and discovery of new materials is fundamental to advancing scientific and technological innovation. The recent emergence of the materials genome concept holds great promise in revolutionising materials science by enabling the…

Corrosion poses a significant challenge to the performance of aluminum alloys, particularly in marine environments. This study investigates the application of machine learning (ML) algorithms to predict and optimize corrosion resistance,…

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

We introduce DriveAgent, a novel multi-agent autonomous driving framework that leverages large language model (LLM) reasoning combined with multimodal sensor fusion to enhance situational understanding and decision-making. DriveAgent…

The rapid evolution of agentic AI marks a new phase in artificial intelligence, where Large Language Models (LLMs) no longer merely respond but act, reason, and adapt. This survey traces the paradigm shift in building agentic AI: from…

Early detection of faults is of importance to avoid catastrophic accidents and ensure safe operation of machinery. A novel graph neural network-based fault detection method is proposed to build a bridge between AI and real-world running…

In computational materials science, a common means for predicting macroscopic (e.g., mechanical) properties of an alloy is to define a model using combinations of descriptors that depend on some material properties (elastic constants,…

Graphical User Interface (GUI) agents, driven by Multi-modal Large Language Models (MLLMs), have emerged as a promising paradigm for enabling intelligent interaction with digital systems. This paper provides a structured survey of recent…

Industrial machinery maintenance requires timely intervention to prevent catastrophic failures and optimize operational efficiency. This paper presents an integrated Large Language Model (LLM)-based intelligent system for prescriptive…

While a multi-agent approach based on large language models (LLMs) represents a promising strategy to surpass the capabilities of single models, its success is critically dependent on synergistic team composition. However, forming optimal…

Automated planning is one of the foundational areas of AI. Since no single planner can work well for all tasks and domains, portfolio-based techniques have become increasingly popular in recent years. In particular, deep learning emerges as…

Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties. Traditional electronic structure methods require expensive…

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

State-of-the-art Neural Network Architectures (NNAs) are challenging to design and implement efficiently in hardware. In the past couple of years, this has led to an explosion in research and development of automatic Neural Architecture…

In an era where vast amounts of data are collected and processed from diverse sources, there is a growing demand for sophisticated AI systems capable of intelligently fusing and analyzing this information. To address these challenges,…

Next-generation instruments for ground-based gamma-ray astronomy are marked by a substantial increase in complexity, featuring dozens of telescopes. This leap in scale introduces significant challenges in managing system operations and…

Since the advent of GPT, large language models (LLMs) have brought about revolutionary advancements in all walks of life. As a superior natural language processing (NLP) technology, LLMs have consistently achieved state-of-the-art…