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Protein language models often take into consideration the alignment between a protein sequence and its textual description. However, they do not take structural information into consideration. Traditional methods treat sequence and…

Machine Learning · Computer Science 2026-03-10 Aditya Ranganath , Hasin Us Sami , Kowshik Thopalli , Bhavya Kailkhura , Wesam Sakla

The wide applicability of pretrained transformer models (PTMs) for natural language tasks is well demonstrated, but their ability to comprehend short phrases of text is less explored. To this end, we evaluate different PTMs from the lens of…

Computation and Language · Computer Science 2021-12-16 Sai Muralidhar Jayanthi , Varsha Embar , Karthik Raghunathan

Recent advancements in text-to-image diffusion models have yielded impressive results in generating realistic and diverse images. However, these models still struggle with complex prompts, such as those that involve numeracy and spatial…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Long Lian , Boyi Li , Adam Yala , Trevor Darrell

Text-rich images have significant and extensive value, deeply integrated into various aspects of human life. Notably, both visual cues and linguistic symbols in text-rich images play crucial roles in information transmission but are…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Pengyuan Lyu , Yulin Li , Hao Zhou , Weihong Ma , Xingyu Wan , Qunyi Xie , Liang Wu , Chengquan Zhang , Kun Yao , Errui Ding , Jingdong Wang

Accurately predicting protein melting temperature changes (Delta Tm) is fundamental for assessing protein stability and guiding protein engineering. Leveraging multi-modal protein representations has shown great promise in capturing the…

Machine Learning · Computer Science 2025-03-25 Daiheng Zhang , Yan Zeng , Xinyu Hong , Jinbo Xu

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches…

Multi-modality pre-training paradigm that aligns protein sequences and biological descriptions has learned general protein representations and achieved promising performance in various downstream applications. However, these works were…

Machine Learning · Computer Science 2024-12-31 Hanjing Zhou , Mingze Yin , Wei Wu , Mingyang Li , Kun Fu , Jintai Chen , Jian Wu , Zheng Wang

Pre-trained protein models (PTPMs) represent a protein with one fixed embedding and thus are not capable for diverse tasks. For example, protein structures can shift, namely protein folding, between several conformations in various…

Artificial Intelligence · Computer Science 2022-02-08 Qiang Zhang , Zeyuan Wang , Yuqiang Han , Haoran Yu , Xurui Jin , Huajun Chen

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

Large protein language models are adept at capturing the underlying evolutionary information in primary structures, offering significant practical value for protein engineering. Compared to natural language models, protein amino acid…

Computation and Language · Computer Science 2023-10-27 Yang Tan , Mingchen Li , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

A prominent achievement of natural language processing (NLP) is its ability to understand and generate meaningful human language. This capability relies on complex feedforward transformer block architectures pre-trained on large language…

Computation and Language · Computer Science 2025-11-11 Ronit D. Gross , Yarden Tzach , Tal Halevi , Ella Koresh , Ido Kanter

The effective utilization of structured data, integral to corporate data strategies, has been challenged by the rise of large language models (LLMs) capable of processing unstructured information. This shift prompts the question: can LLMs…

Computation and Language · Computer Science 2024-10-22 Zhouhong Gu , Haoning Ye , Xingzhou Chen , Zeyang Zhou , Hongwei Feng , Yanghua Xiao

Self-supervised protein language models have proved their effectiveness in learning the proteins representations. With the increasing computational power, current protein language models pre-trained with millions of diverse sequences can…

Biomolecules · Quantitative Biology 2022-11-02 Ningyu Zhang , Zhen Bi , Xiaozhuan Liang , Siyuan Cheng , Haosen Hong , Shumin Deng , Jiazhang Lian , Qiang Zhang , Huajun Chen

One critical prerequisite for faithful text-to-image generation is the accurate understanding of text inputs. Existing methods leverage the text encoder of the CLIP model to represent input prompts. However, the pre-trained CLIP model can…

Computer Vision and Pattern Recognition · Computer Science 2024-07-19 Zhiyu Tan , Mengping Yang , Luozheng Qin , Hao Yang , Ye Qian , Qiang Zhou , Cheng Zhang , Hao Li

Language Models (LMs) have proven to be useful in various downstream applications, such as summarisation, translation, question answering and text classification. LMs are becoming increasingly important tools in Artificial Intelligence,…

We introduce G2T-LLM, a novel approach for molecule generation that uses graph-to-tree text encoding to transform graph-based molecular structures into a hierarchical text format optimized for large language models (LLMs). This encoding…

Machine Learning · Computer Science 2024-10-04 Zhaoning Yu , Xiangyang Xu , Hongyang Gao

Large Language Models (LLMs), typified by OpenAI's GPT, have marked a significant advancement in artificial intelligence. Trained on vast amounts of text data, LLMs are capable of understanding and generating human-like text across a…

Artificial Intelligence · Computer Science 2024-10-29 Haochen Zhang , Yuyang Dong , Chuan Xiao , Masafumi Oyamada

The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a…

Biomolecules · Quantitative Biology 2025-06-13 Jason Yang , Aadyot Bhatnagar , Jeffrey A. Ruffolo , Ali Madani

Protein language models (pLMs) have demonstrated success at generating functional proteins across vast sequence spaces but lack the ability to design high-fitness variants on demand. Here, we iteratively guide pLMs toward user-defined…

Biomolecules · Quantitative Biology 2025-12-01 Filippo Stocco , Maria Artigues-Lleixa , Andrea Hunklinger , Talal Widatalla , Marc Guell , Noelia Ferruz