Related papers: Can Large Language Models Empower Molecular Proper…

Large Language Models (LLMs) have shown exceptional capabilities in Natural Language Processing (NLP) across diverse domains. However, their application in specialized tasks such as Legal Judgment Prediction (LJP) for low-resource languages…

Large Language Models (LLMs) have been employed in financial decision making, enhancing analytical capabilities for investment strategies. Traditional investment strategies often utilize quantitative models, fundamental analysis, and…

Language models for molecular design have scaled to hundreds of millions of parameters, yet how they learn chemical grammar is poorly understood. We train SMolLM, a 53K-parameter weight-shared transformer, to generate novel SMILES with 95%…

Pre-trained large language models (LLMs) have recently emerged as a breakthrough technology in natural language processing and artificial intelligence, with the ability to handle large-scale datasets and exhibit remarkable performance…

Large language models (LLMs) have shown to be valuable tools for tackling process mining tasks. Existing studies report on their capability to support various data-driven process analyses and even, to some extent, that they are able to…

Large language models (LLM) have revolutionized the processing of natural language. Although first benchmarks of the process modeling abilities of LLM are promising, it is currently under debate to what extent an LLM can generate good…

Hallucinations in large language models (LLMs), plausible but factually inaccurate text, are often viewed as undesirable. However, recent work suggests that such outputs may hold creative potential. In this paper, we investigate whether…

Genes, proteins and other biological entities influence one another via causal molecular networks. Causal relationships in such networks are mediated by complex and diverse mechanisms, through latent variables, and are often specific to…

Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…

Language models (LMs) are machine learning models designed to predict linguistic patterns by estimating the probability of word sequences based on large-scale datasets, such as text. LMs have a wide range of applications in natural language…

Large Language Models (LLMs) have seen significant use in domains such as natural language processing and computer vision. Going beyond text, image and graphics, LLMs present a significant potential for analysis of time series data,…

As the core component of Natural Language Processing (NLP) system, Language Model (LM) can provide word representation and probability indication of word sequences. Neural Network Language Models (NNLMs) overcome the curse of dimensionality…

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), such as ChatGPT, have taken the world by storm and have passed certain forms of the Turing test. However, LLMs are not limited to human language and analyze sequential data, such as DNA, protein, and gene…

Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. In this study, we evaluate the performance and…

A drug molecule is a substance that changes the organism's mental or physical state. Every approved drug has an indication, which refers to the therapeutic use of that drug for treating a particular medical condition. While the Large…

Large language models (LLMs) are increasingly being integrated into search engines to provide natural language responses tailored to user queries. Customers and end-users are also becoming more dependent on these models for quick and easy…

We show that large language model (LLMs) can be transformed via supervised fine-tuning (SFT) of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pre-trained LLMs and…

Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…

Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still struggle to reason using molecular structural information.…