Related papers: In-Context Molecular Property Prediction with LLMs…
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.…
Generative Large Language Models (LLMs) are capable of being in-context learners. However, the underlying mechanism of in-context learning (ICL) is still a major research question, and experimental research results about how models exploit…
This study investigates the efficacy of Large Language Models (LLMs) in causal discovery. Using newly available open-source LLMs, OLMo and BLOOM, which provide access to their pre-training corpora, we investigate how LLMs address causal…
Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…
In-context Learning (ICL) has emerged as a powerful paradigm for performing natural language tasks with Large Language Models (LLM) without updating the models' parameters, in contrast to the traditional gradient-based finetuning. The…
In-context learning has emerged as a groundbreaking ability of Large Language Models (LLMs) and revolutionized various fields by providing a few task-relevant demonstrations in the prompt. However, trustworthy issues with LLM's response,…
Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…
In recent years, pre-trained large language models (LLMs) have demonstrated remarkable efficiency in achieving an inference-time few-shot learning capability known as in-context learning. However, existing literature has highlighted the…
Recent work exploring the capabilities of pre-trained large language models (LLMs) has demonstrated their ability to act as general pattern machines by completing complex token sequences representing a wide array of tasks, including…
Large language models (LLMs) trained on huge corpora of text datasets demonstrate intriguing capabilities, achieving state-of-the-art performance on tasks they were not explicitly trained for. The precise nature of LLM capabilities is often…
Neural language models are black-boxes--both linguistic patterns and factual knowledge are distributed across billions of opaque parameters. This entangled encoding makes it difficult to reliably inspect, verify, or update specific facts.…
Integrating external knowledge into large language models (LLMs) presents a promising solution to overcome the limitations imposed by their antiquated and static parametric memory. Prior studies, however, have tended to over-reliance on…
Large Language Models have received significant attention due to their abilities to solve a wide range of complex tasks. However these models memorize a significant proportion of their training data, posing a serious threat when disclosed…
Language Models (LMs) acquire parametric knowledge from their training process, embedding it within their weights. The increasing scalability of LMs, however, poses significant challenges for understanding a model's inner workings and…
Chemical language models (CLMs) have emerged as promising competitors to popular classical machine learning models for molecular property prediction (MPP) tasks. However, an increasing number of studies have reported inconsistent and…
Previous work has showcased the intriguing capability of large language models (LLMs) in retrieving facts and processing context knowledge. However, only limited research exists on the layer-wise capability of LLMs to encode knowledge,…
Recent zero-shot evaluations have highlighted important limitations in the abilities of language models (LMs) to perform meaning extraction. However, it is now well known that LMs can demonstrate radical improvements in the presence of…
Large language models (LLMs) have demonstrated remarkable progress in leveraging diverse knowledge sources. This study investigates how nine widely used LLMs allocate knowledge between local context and global parameters when answering…
Large language models (LLMs) have led to a series of breakthroughs in natural language processing (NLP), owing to their excellent understanding and generation abilities. Remarkably, what further sets these models apart is the massive…
In-context learning is a key paradigm in large language models (LLMs) that enables them to generalize to new tasks and domains by simply prompting these models with a few exemplars without explicit parameter updates. Many attempts have been…