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Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

Biomolecules · Quantitative Biology 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

Semi-supervised learning on graphs is an important problem in the machine learning area. In recent years, state-of-the-art classification methods based on graph neural networks (GNNs) have shown their superiority over traditional ones such…

Machine Learning · Computer Science 2021-03-05 Cheng Yang , Jiawei Liu , Chuan Shi

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

Explicit density learners are becoming an increasingly popular technique for generative models because of their ability to better model probability distributions. They have advantages over Generative Adversarial Networks due to their…

Machine Learning · Computer Science 2025-06-27 Steven Walton , Valeriy Klyukin , Maksim Artemev , Denis Derkach , Nikita Orlov , Humphrey Shi

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

Machine Learning · Computer Science 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Modelling the complex physics of the Interstellar Medium (ISM) in the context of large-scale numerical simulations is a challenging task. A number of methods have been proposed to embed a description of the ISM into different codes. We…

Instrumentation and Methods for Astrophysics · Physics 2011-03-03 T. Grassi , E. Merlin , L. Piovan , U. Buonomo , C. Chiosi

Generating diverse responses is crucial for test-time scaling of large language models (LLMs), yet standard stochastic sampling mostly yields surface-level lexical variation, limiting semantic exploration. In this paper, we propose…

Computation and Language · Computer Science 2026-04-29 Yuanhao Zeng , Ao Lu , Lufei Li , Zheng Zhang , Yexin Li , Kan Ren

Knowledge distillation constitutes a potent methodology for condensing substantial neural networks into more compact and efficient counterparts. Within this context, softmax regression representation learning serves as a widely embraced…

Machine Learning · Computer Science 2024-02-12 Huayu Li , Xiwen Chen , Gregory Ditzler , Janet Roveda , Ao Li

Unlike the predictable scaling laws in natural language processing and computer vision, protein language models (PLMs) scale poorly: for many tasks, models within the same family plateau or even decrease in performance, with mid-sized…

Machine Learning · Computer Science 2026-03-10 Darius Catrina , Christian Bepler , Samuel Sledzieski , Rohit Singh

Distilling robust reasoning capabilities from large language models (LLMs) into smaller, computationally efficient student models remains an unresolved challenge. Despite recent advances, distilled models frequently suffer from superficial…

Computation and Language · Computer Science 2026-03-23 Zhen Tan , Chengshuai Zhao , Song Wang , Jundong Li , Tianlong Chen , Huan Liu

Deep neural network architectures have attained remarkable improvements in scene understanding tasks. Utilizing an efficient model is one of the most important constraints for limited-resource devices. Recently, several compression methods…

Computer Vision and Pattern Recognition · Computer Science 2020-10-12 Mahdi Ghorbani , Fahimeh Fooladgar , Shohreh Kasaei

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Transferability estimation identifies the best pre-trained models for downstream tasks without incurring the high computational cost of full fine-tuning. This capability facilitates deployment and advances the pre-training and fine-tuning…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Yaoyan Zheng , Huiqun Wang , Nan Zhou , Di Huang

Deep neural networks (DNNs) excel on fixed datasets but struggle with incremental and shifting data in real-world scenarios. Continual learning addresses this challenge by allowing models to learn from new data while retaining previously…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Lu Yu , Zhe Tao , Dipam Goswami , Hantao Yao , Bartłomiej Twardowski , Joost Van de Weijer , Changsheng Xu

Code Language Models (codeLMs) and Graph Neural Networks (GNNs) are widely used in code vulnerability detection. However, GNNs often rely on aggregating information from adjacent nodes, limiting structural information propagation across…

Cryptography and Security · Computer Science 2025-03-24 Ruitong Liu , Yanbin Wang , Haitao Xu , Jianguo Sun , Fan Zhang , Peiyue Li , Zhenhao Guo

Learning versatile, fine-grained representations from irregular event streams is pivotal yet nontrivial, primarily due to the heavy annotation that hinders scalability in dataset size, semantic richness, and application scope. To mitigate…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Zhiwen Chen , Junhui Hou , Zhiyu Zhu , Jinjian Wu , Guangming Shi

The extensive amounts of data required for training deep neural networks pose significant challenges on storage and transmission fronts. Dataset distillation has emerged as a promising technique to condense the information of massive…

Computer Vision and Pattern Recognition · Computer Science 2024-03-13 Ali Abbasi , Ashkan Shahbazi , Hamed Pirsiavash , Soheil Kolouri

Learned image compression sits at the intersection of machine learning and image processing. With advances in deep learning, neural network-based compression methods have emerged. In this process, an encoder maps the image to a…

Computer Vision and Pattern Recognition · Computer Science 2025-09-15 Fabien Allemand , Attilio Fiandrotti , Sumanta Chaudhuri , Alaa Eddine Mazouz

Inverse protein folding, the process of designing sequences that fold into a specific 3D structure, is crucial in bio-engineering and drug discovery. Traditional methods rely on experimentally resolved structures, but these cover only a…

Biomolecules · Quantitative Biology 2023-11-27 Igor Melnyk , Aurelie Lozano , Payel Das , Vijil Chenthamarakshan

As pretrained transformer language models continue to achieve state-of-the-art performance, the Natural Language Processing community has pushed for advances in model compression and efficient attention mechanisms to address high…

Computation and Language · Computer Science 2023-11-27 Nathan Brown , Ashton Williamson , Tahj Anderson , Logan Lawrence