Related papers: Regression with Large Language Models for Material…

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…

Qualitative analysis of textual contents unpacks rich and valuable information by assigning labels to the data. However, this process is often labor-intensive, particularly when working with large datasets. While recent AI-based tools…

The rapid advancement of Large Language Models (LLMs) in the realm of mathematical reasoning necessitates comprehensive evaluations to gauge progress and inspire future directions. Existing assessments predominantly focus on problem-solving…

Large language models (LLMs) are increasingly applied to materials science. However, the relationship between prediction accuracy, input representation, and model scale remains unclear, and reliable methods for assessing prediction…

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Large Language Models (LLMs) are increasingly being used to support scientific discovery. In chemistry, tasks such as reaction prediction and structure elucidation require reasoning about the structures of molecules. As such, LLM-based…

The amount of data has growing significance in exploring cutting-edge materials and a number of datasets have been generated either by hand or automated approaches. However, the materials science field struggles to effectively utilize the…

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Large language models (LLMs) have attracted considerable attention as they are capable of showcasing impressive capabilities generating comparable high-quality responses to human inputs. LLMs, can not only compose textual scripts such as…

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

Predicting the mechanical properties of polysulfone (PSF) membranes from structural descriptors remains challenging due to extreme data scarcity typical of experimental studies. To investigate this issue, this study benchmarked…

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…

Large language models (LLMs) are a special class of pretrained language models obtained by scaling model size, pretraining corpus and computation. LLMs, because of their large size and pretraining on large volumes of text data, exhibit…

Large Language Models (LLMs) offer a promising alternative to traditional survey methods, potentially enhancing efficiency and reducing costs. In this study, we use LLMs to create virtual populations that answer survey questions, enabling…

Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This…

Artificial intelligence (AI) is widely deployed to solve problems related to marketing attribution and budget optimization. However, AI models can be quite complex, and it can be difficult to understand model workings and insights without…

Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of general-domain tasks. However, their effectiveness in specialized fields, such as construction, remains underexplored. In this paper, we introduce…

Previous learning-based vulnerability detection methods relied on either medium-sized pre-trained models or smaller neural networks from scratch. Recent advancements in Large Pre-Trained Language Models (LLMs) have showcased remarkable…

Recently, decoder-only pre-trained large language models (LLMs), with several tens of billion parameters, have significantly impacted a wide range of natural language processing (NLP) tasks. While encoder-only or encoder-decoder pre-trained…

This review surveys the rapid evolution of Meta AI's LLaMA (Large Language Model Meta AI) series - from LLaMA 1 through LLaMA 4 and the specialized parameter-efficient fine-tuning (PEFT) methods developed for these models. We first describe…