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Large Language Models (LLMs), such as ChatGPT, LLaMA, GLM, and PaLM, have exhibited remarkable performances across various tasks in recent years. However, LLMs face two main challenges in real-world applications. One challenge is that…
Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena…
Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models is the ability to accurately understand molecular structures,…
Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP) capabilities. Empowering materials design, vast amounts of…
In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…
Artificial intelligence (AI), machine learning, and deep learning have become transformative forces in big data analytics and management, enabling groundbreaking advancements across diverse industries. This article delves into the…
Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on…
For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment,…
Language modeling has seen impressive progress over the last years, mainly prompted by the invention of the Transformer architecture, sparking a revolution in many fields of machine learning, with breakthroughs in chemistry and biology. In…
Chemical reasoning inherently integrates visual, textual, and symbolic modalities, yet existing benchmarks rarely capture this complexity, often relying on simple image-text pairs with limited chemical semantics. As a result, the actual…
The advent of large language models (LLMs) has gained tremendous attention over the past year. Previous studies have shown the astonishing performance of LLMs not only in other tasks but also in emotion recognition in terms of accuracy,…
Large Language Models (LLMs) have introduced a paradigm shift in interaction with AI technology, enabling knowledge workers to complete tasks by specifying their desired outcome in natural language. LLMs have the potential to increase…
Precise recognition, editing, and generation of molecules are essential prerequisites for both chemists and AI systems tackling various chemical tasks. We present MolLangBench, a comprehensive benchmark designed to evaluate fundamental…
Large Language Models (LLMs) are rapidly advancing across diverse domains, yet their application in theoretical physics remains inadequate. While current models show competence in mathematical reasoning and code generation, we identify…
The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains…
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort…
Prognostics and health management (PHM) is essential for industrial operation and maintenance, focusing on predicting, diagnosing, and managing the health status of industrial systems. The emergence of the ChatGPT-Like large-scale language…
Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…
Large language models (LLMs) are advanced artificial intelligence (AI) systems that can perform a variety of tasks commonly found in human intelligence tests, such as defining words, performing calculations, and engaging in verbal…
Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to experimental design and data analysis.…