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With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

This paper analyzes Large Language Models (LLMs) with regard to their programming exercise generation capabilities. Through a survey study, we defined the state of the art, extracted their strengths and weaknesses and finally proposed an…

$ $Large Language Models (LLMs) are being increasingly utilized in various applications, with code generations being a notable example. While previous research has shown that LLMs have the capability to generate both secure and insecure…

Large Language Models (LLMs) are now capable of generating highly fluent, human-like text. They enable many applications, but also raise concerns such as large scale spam, phishing, or academic misuse. While much work has focused on…

This article analyzes the use of Large Language Models (LLMs) as support for the conceptual modeling of relational databases through the automatic generation of Entity-Relationship (ER) diagrams from natural language requirements. The…

Large language models (LLMs) have taken the scientific world by storm, changing the landscape of natural language processing and human-computer interaction. These powerful tools can answer complex questions and, surprisingly, perform…

Large Language Models (LLMs) have achieved tremendous progress, yet they still often struggle with challenging reasoning problems. Current approaches address this challenge by sampling or searching detailed and low-level reasoning chains.…

Large Language Models (LLMs) have transformed text generation through inherently probabilistic context-aware mechanisms, mimicking human natural language. In this paper, we systematically investigate the performance of various LLMs when…

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas.…

Collaboration has been shown to enhance creativity, leading to more innovative and effective outcomes. While previous research has explored the abilities of Large Language Models (LLMs) to serve as co-creative partners in tasks like writing…

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening…

Large Language Models (LLMs) have shown remarkable capabilities in code generation tasks, yet they face significant limitations in handling complex, long-context programming challenges and demonstrating complex compositional reasoning…

Large language models (LLMs) have demonstrated remarkable performances on a wide range of natural language tasks. Yet, LLMs' successes have been largely restricted to tasks concerning words, sentences, or documents, and it remains…

The rapid advancement of Large Language Models (LLMs) has enhanced software development processes, minimizing the time and effort required for coding and enhancing developer productivity. However, despite their potential benefits, code…

This paper examines the opportunities, limitations, and practical considerations associated with the use of large language models (LLMs) in qualitative research. Drawing on a multidisciplinary perspective that combines expertise in…

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

The rise of large language models (LLMs) has introduced transformative potential in automated code generation, addressing a wide range of software engineering challenges. However, empirical evaluation of LLM-based code generation lacks…

Recently, we have witnessed the rapid development of large language models, which have demonstrated excellent capabilities in the downstream task of code generation. However, despite their potential, LLM-based code generation still faces…

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…