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Self-attention is a useful mechanism to build generative models for language and images. It determines the importance of context elements by comparing each element to the current time step. In this paper, we show that a very lightweight…

Computation and Language · Computer Science 2019-02-26 Felix Wu , Angela Fan , Alexei Baevski , Yann N. Dauphin , Michael Auli

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

Masked Diffusion Language Models (DLMs) have recently emerged as a promising alternative to traditional Autoregressive Models (ARMs). DLMs employ transformer encoders with bidirectional attention, enabling parallel token generation while…

Computation and Language · Computer Science 2025-12-11 Maximo Eduardo Rulli , Simone Petruzzi , Edoardo Michielon , Fabrizio Silvestri , Simone Scardapane , Alessio Devoto

Clinical abnormality grounding for rare diseases is often hindered by data scarcity, making supervised fine-tuning impractical and single-pass inference highly unstable. We propose Dynamic Decision Learning (DDL), a framework that enables…

Computation and Language · Computer Science 2026-04-29 Jun Li , Mingxuan Liu , Jiazhen Pan , Che Liu , Wenjia Bai , Cosmin I. Bercea , Julia A. Schnabel

Objective: To evaluate the impact on Electroencephalography (EEG) classification of different kinds of attention mechanisms in Deep Learning (DL) models. Methods: We compared three attention-enhanced DL models, the brand-new InstaGATs, an…

Signal Processing · Electrical Eng. & Systems 2020-12-03 Giulia Cisotto , Alessio Zanga , Joanna Chlebus , Italo Zoppis , Sara Manzoni , Urszula Markowska-Kaczmar

Protein folding produces characteristic and functional three-dimensional structures from unfolded polypeptides or disordered coils. The emergence of extraordinary complexity in the protein folding process poses astonishing challenges to…

Biomolecules · Quantitative Biology 2013-08-14 Kelin Xia , Guo-Wei Wei

Identifiability is central to the interpretability of deep latent variable models, ensuring parameterisations are uniquely determined by the data-generating distribution. However, it remains underexplored for deep regime-switching time…

Machine Learning · Statistics 2026-01-08 Carles Balsells-Rodas , Toshiko Matsui , Pedro A. M. Mediano , Yixin Wang , Yingzhen Li

How can we effectively handle queries for on-device large language models (LLMs) with varying runtime constraints, such as latency and accuracy? Multi-scale quantization addresses this challenge by enabling memory-efficient runtime model…

Machine Learning · Computer Science 2025-12-09 Sangwoo Kwon , Seong Hoon Seo , Jae W. Lee , Yeonhong Park

Accurate prediction and optimization of protein-protein binding affinity is crucial for therapeutic antibody development. Although machine learning-based prediction methods $\Delta\Delta G$ are suitable for large-scale mutant screening,…

Biomolecules · Quantitative Biology 2024-09-19 Kairi Furui , Masahito Ohue

We propose the Multi-Head Density Adaptive Attention Mechanism (DAAM), a novel probabilistic attention framework that can be used for Parameter-Efficient Fine-tuning (PEFT), and the Density Adaptive Transformer (DAT), designed to enhance…

Machine Learning · Computer Science 2024-10-01 Georgios Ioannides , Aman Chadha , Aaron Elkins

Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences,…

Machine Learning · Computer Science 2026-05-12 Yulin Zhang , He Cao , Zihao Jiang , Chenyi Zi , Zhipeng Zhou , Zijing Liu , Yu Li , Jia Li , Ziqi Gao

Block discrete diffusion language models factorize a sequence autoregressively over fixed-size positional blocks, decoupling within-block parallel denoising from across-block conditioning. We argue that this rigid partition wastes structure…

Computation and Language · Computer Science 2026-05-18 Yichen Zhu , Xiaoming Shi , Peng Zhao , Weiyu Chen , Debing Zhang , James Kwok

The past decade has seen a revolution in genomic technologies that enable a flood of genome-wide profiling of chromatin marks. Recent literature tried to understand gene regulation by predicting gene expression from large-scale chromatin…

Machine Learning · Computer Science 2017-11-08 Ritambhara Singh , Jack Lanchantin , Arshdeep Sekhon , Yanjun Qi

Single-cell RNA sequencing (scRNA-seq) data analysis is pivotal for understanding cellular heterogeneity. However, the high sparsity and complex noise patterns inherent in scRNA-seq data present significant challenges for traditional…

Genomics · Quantitative Biology 2024-08-13 Wenwen Min , Zhen Wang , Fangfang Zhu , Taosheng Xu , Shunfang Wang

Predicting the stability and fitness effects of amino acid mutations in proteins is a cornerstone of biological discovery and engineering. Various experimental techniques have been developed to measure mutational effects, providing us with…

The stability of model proteins with designed sequences is assessed in terms of the number of sequences (obtained from the designed sequence through mutations), which fold into 5the ``native'' conformation. By a complete enumeration of the…

Soft Condensed Matter · Physics 2009-10-31 R. A Broglia , G. Tiana , H. E. Roman , E. Vigezzi , E. I. Shakhnovich

Background: Deep learning techniques, particularly neural networks, have revolutionized computational physics, offering powerful tools for solving complex partial differential equations (PDEs). However, ensuring stability and efficiency…

Artificial Intelligence · Computer Science 2024-07-11 A. Noorizadegan , R. Cavoretto , D. L. Young , C. S. Chen

Long-context understanding is crucial for many NLP applications, yet transformers struggle with efficiency due to the quadratic complexity of self-attention. Sparse attention methods alleviate this cost but often impose static, predefined…

Computation and Language · Computer Science 2025-06-16 Hanzhi Zhang , Heng Fan , Kewei Sha , Yan Huang , Yunhe Feng

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

Multimodal Large Language Models (MLLMs) have shown strong performance in multi-image cross-modal retrieval, yet suffer from severe position bias, where predictions are dominated by input order rather than semantic relevance. Through…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Mingtao Xian , Yifeng Yang , Qinying Gu , Xinbing Wang , Nanyang Ye