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Data-driven research in Additive Manufacturing (AM) has gained significant success in recent years. This has led to a plethora of scientific literature to emerge. The knowledge in these works consists of AM and Artificial Intelligence (AI)…
Catalyst, as an important material, plays a crucial role in the development of chemical industry. By improving the performance of the catalyst, the economic benefit can be greatly improved. Artificial neural network (ANN), as one of the…
The integration of Artificial Intelligence (AI), particularly Large Language Model (LLM)-based systems, in education has shown promise in enhancing teaching and learning experiences. However, the advent of Multimodal Large Language Models…
There have been rapid advancements in the capabilities of large language models (LLMs) in recent years, greatly revolutionizing the field of natural language processing (NLP) and artificial intelligence (AI) to understand and interact with…
Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…
Large Language Models (LLMs) have revolutionized the field of Natural Language Generation (NLG) by demonstrating an impressive ability to generate human-like text. However, their widespread usage introduces challenges that necessitate…
This perspective paper proposes a series of interactive scenarios that utilize Artificial Intelligence (AI) to enhance classroom teaching, such as dialogue auto-completion, knowledge and style transfer, and assessment of AI-generated…
Large language models (LLMs) are increasingly used in scientific research and discovery, supporting tasks ranging from literature retrieval and synthesis to hypothesis generation, autonomous experimentation, and research evaluation.…
Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of…
Large Language Model (LLMs) such as ChatGPT that exhibit generative AI capabilities are facing accelerated adoption and innovation. The increased presence of Generative AI (GAI) inevitably raises concerns about the risks and safety…
Causal discovery (CD) and Large Language Models (LLMs) have emerged as transformative fields in artificial intelligence that have evolved largely independently. While CD specializes in uncovering cause-effect relationships from data, and…
Large Language Models (LLMs) have demonstrated remarkable potential in scientific research, particularly in chemistry-related tasks such as molecular design, reaction prediction, and property estimation. While tool-augmented LLMs have been…
Traditional drug discovery is a long, expensive, and complex process. Advances in Artificial Intelligence (AI) and Machine Learning (ML) are beginning to change this narrative. Here, we provide a comprehensive overview of different AI and…
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…
Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recent…
The recent surge in Generative Artificial Intelligence (AI) has introduced exciting possibilities for computational chemistry. Generative AI methods have made significant progress in sampling molecular structures across chemical species,…
Since its launch in late 2022, ChatGPT has ignited widespread interest in Large Language Models (LLMs) and broader Artificial Intelligence (AI) solutions. As this new wave of AI permeates various sectors of society, we are continually…
Decision-making is a fundamental capability in everyday life. Large Language Models (LLMs) provide multifaceted support in enhancing human decision-making processes. However, understanding the influencing factors of LLM-assisted…
Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be…
In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated…