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Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Adapting language models (LMs) to novel domains is often achieved through fine-tuning a pre-trained LM (PLM) on domain-specific data. Fine-tuning introduces new knowledge into an LM, enabling it to comprehend and efficiently perform a…

Computation and Language · Computer Science 2024-03-29 Micheal Abaho , Danushka Bollegala , Gary Leeming , Dan Joyce , Iain E Buchan

Structured pruning is one of the representative techniques for compressing large language models (LLMs) to reduce GPU memory consumption and accelerate inference speed. It offers significant practical value in improving the efficiency of…

Computation and Language · Computer Science 2025-08-08 Yiheng Liu , Junhao Ning , Sichen Xia , Xiaohui Gao , Ning Qiang , Bao Ge , Junwei Han , Xintao Hu

Large Language Models (LLMs) have revolutionized natural language processing through their state of art reasoning capabilities. This paper explores the convergence of LLM reasoning techniques and feature generation for machine learning…

Computation and Language · Computer Science 2025-03-21 Dharani Chandra

Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Computation and Language · Computer Science 2024-02-12 Siru Ouyang , Zhuosheng Zhang , Bing Yan , Xuan Liu , Yejin Choi , Jiawei Han , Lianhui Qin

Searching code is a common task that developers perform to understand APIs, learn common code patterns, and navigate code. Currently, developers most commonly search using keywords and regular expressions that are easy to use and widely…

Software Engineering · Computer Science 2025-07-04 Ben Limpanukorn , Yanjun Wang , Zach Patterson , Pranav Garg , Murali Krishna Ramanathan , Xiaofei Ma , Anoop Deoras , Miryung Kim

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt…

Recent breakthroughs in large language models (LLM) have stirred up global attention, and the research has been accelerating non-stop since then. Philosophers and psychologists have also been researching the structure of language for…

Computation and Language · Computer Science 2024-07-17 Joseph Chen

We present MeshLLM, a novel framework that leverages large language models (LLMs) to understand and generate text-serialized 3D meshes. Our approach addresses key limitations in existing methods, including the limited dataset scale when…

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of…

Machine Learning · Computer Science 2025-03-06 Dong Shu , Bingbing Duan , Kai Guo , Kaixiong Zhou , Jiliang Tang , Mengnan Du

While large language models (LLMs) have demonstrated strong capability in structured prediction tasks such as semantic parsing, few amounts of research have explored the underlying mechanisms of their success. Our work studies different…

Computation and Language · Computer Science 2023-02-01 Daking Rai , Yilun Zhou , Bailin Wang , Ziyu Yao

Making an informed choice of pre-trained language model (LM) is critical for performance, yet environmentally costly, and as such widely underexplored. The field of Computer Vision has begun to tackle encoder ranking, with promising forays…

Computation and Language · Computer Science 2022-06-13 Max Müller-Eberstein , Rob van der Goot , Barbara Plank

Recently, Large Language Models (LLMs) have achieved significant success, prompting increased interest in expanding their generative capabilities beyond general text into domain-specific areas. This study investigates the generation of…

Computer Vision and Pattern Recognition · Computer Science 2025-06-11 Jiahao Li , Weijian Ma , Xueyang Li , Yunzhong Lou , Guichun Zhou , Xiangdong Zhou

Neural models that do not rely on pre-training have excelled in the keyphrase generation task with large annotated datasets. Meanwhile, new approaches have incorporated pre-trained language models (PLMs) for their data efficiency. However,…

Computation and Language · Computer Science 2024-02-26 Di Wu , Wasi Uddin Ahmad , Kai-Wei Chang

Protein design is a fundamental challenge in biotechnology, aiming to design novel sequences with specific functions within the vast space of possible proteins. Recent advances in deep generative models have enabled function-based protein…

Machine Learning · Computer Science 2025-10-15 Nuowei Liu , Jiahao Kuang , Yanting Liu , Tao Ji , Changzhi Sun , Man Lan , Yuanbin Wu

Multimodal Large Language Models (MLLMs) are set to transform how machines process and generate human-like responses by integrating diverse modalities such as text, images, and code. Yet, effectively harnessing their capabilities hinges on…

Artificial Intelligence · Computer Science 2025-04-15 Anwesha Mohanty , Venkatesh Balavadhani Parthasarathy , Arsalan Shahid

In recent years, natural language processing (NLP) models have demonstrated remarkable capabilities in various domains beyond traditional text generation. In this work, we introduce PeptideGPT, a protein language model tailored to generate…

Machine Learning · Computer Science 2024-10-28 Aayush Shah , Chakradhar Guntuboina , Amir Barati Farimani

Semiparametric language models (LMs) have shown promise in continuously learning from new text data by combining a parameterized neural LM with a growable non-parametric memory for memorizing new content. However, conventional…

Computation and Language · Computer Science 2023-03-03 Guangyue Peng , Tao Ge , Si-Qing Chen , Furu Wei , Houfeng Wang

Pre-trained language models based on masked language modeling (MLM) excel in natural language understanding (NLU) tasks. While fine-tuned MLM-based encoders consistently outperform causal language modeling decoders of comparable size,…

Computation and Language · Computer Science 2024-06-07 David Dukić , Jan Šnajder