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Recent progress in large language models (LLMs) has demonstrated the ability to learn and leverage Internet-scale knowledge through pre-training with autoregressive models. Unfortunately, applying such models to settings with embodied…

Transformer-based pretrained language models (LMs) are ubiquitous across natural language understanding, but cannot be applied to long sequences such as stories, scientific articles and long documents, due to their quadratic complexity.…

Computation and Language · Computer Science 2022-12-29 Maor Ivgi , Uri Shaham , Jonathan Berant

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models…

Chemical Physics · Physics 2024-10-22 Nikita Janakarajan , Tim Erdmann , Sarath Swaminathan , Teodoro Laino , Jannis Born

Pre-trained models have achieved remarkable success in natural language processing (NLP). However, existing pre-training methods underutilize the benefits of language understanding for generation. Inspired by the idea of Generative…

Computation and Language · Computer Science 2023-05-10 Jian Yang , Shuming Ma , Li Dong , Shaohan Huang , Haoyang Huang , Yuwei Yin , Dongdong Zhang , Liqun Yang , Furu Wei , Zhoujun Li

Although recent advances in scaling large language models (LLMs) have resulted in improvements on many NLP tasks, it remains unclear whether these models trained primarily with general web text are the right tool in highly specialized,…

Embodied agents operating in the physical world must make decisions that are not only effective but also safe, spatially coherent, and grounded in context. While recent advances in large multimodal models (LMMs) have shown promising…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Dinura Dissanayake , Ahmed Heakl , Omkar Thawakar , Noor Ahsan , Ritesh Thawkar , Ketan More , Jean Lahoud , Rao Anwer , Hisham Cholakkal , Ivan Laptev , Fahad Shahbaz Khan , Salman Khan

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers…

This study introduces a novel knowledge enhanced tokenisation mechanism, K-Tokeniser, for clinical text processing. Technically, at initialisation stage, K-Tokeniser populates global representations of tokens based on semantic types of…

Computation and Language · Computer Science 2024-06-21 Abul Hasan , Jinge Wu , Quang Ngoc Nguyen , Salomé Andres , Imane Guellil , Huayu Zhang , Arlene Casey , Beatrice Alex , Bruce Guthrie , Honghan Wu

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

As a cornerstone in language modeling, tokenization involves segmenting text inputs into pre-defined atomic units. Conventional statistical tokenizers often disrupt constituent boundaries within words, thereby corrupting semantic…

Computation and Language · Computer Science 2025-07-11 Qingyang Zhu , Xiang Hu , Pengyu Ji , Wei Wu , Kewei Tu

Pre-trained Large Language Models (LLMs) have shown success in a diverse set of language inference and understanding tasks. The pre-training stage of LLMs looks at a large corpus of raw textual data. The BabyLM shared task compares LLM…

Computation and Language · Computer Science 2024-01-11 Khushi Bhardwaj , Raj Sanjay Shah , Sashank Varma

Tokenization is a necessary component within the current architecture of many language mod-els, including the transformer-based large language models (LLMs) of Generative AI, yet its impact on the model's cognition is often overlooked. We…

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…

Machine Learning · Computer Science 2026-03-17 Mohammad Mostafanejad , Paul Saxe , T. Daniel Crawford

The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains…

Providing explainable molecular property predictions is critical for many scientific domains, such as drug discovery and material science. Though transformer-based language models have shown great potential in accurate molecular property…

Machine Learning · Computer Science 2026-01-14 Zhenzhong Wang , Zehui Lin , Wanyu Lin , Ming Yang , Minggang Zeng , Kay Chen Tan

This paper presents the Ensemble Nucleotide Byte-level Encoder-Decoder (ENBED) foundation model, analyzing DNA sequences at byte-level precision with an encoder-decoder Transformer architecture. ENBED uses a sub-quadratic implementation of…

Machine Learning · Computer Science 2024-08-26 Aditya Malusare , Harish Kothandaraman , Dipesh Tamboli , Nadia A. Lanman , Vaneet Aggarwal

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…

Machine Learning · Computer Science 2025-08-25 Yifan Deng , Spencer S. Ericksen , Anthony Gitter

In this study, we introduce CT-LLM, a 2B large language model (LLM) that illustrates a pivotal shift towards prioritizing the Chinese language in developing LLMs. Uniquely initiated from scratch, CT-LLM diverges from the conventional…