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Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this…

Machine Learning · Computer Science 2024-01-10 Qizhi Pei , Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Yingce Xia , Shufang Xie , Tao Qin , Kun He , Tie-Yan Liu , Rui Yan

Accurately predicting protein structures from amino acid sequences remains a fundamental challenge in computational biology, with profound implications for understanding biological functions and enabling structure-based drug discovery.…

The field of computational pathology has witnessed great advancements since deep neural networks have been widely applied. These networks usually require large numbers of annotated data to train vast parameters. However, it takes…

Computer Vision and Pattern Recognition · Computer Science 2022-08-11 Yixiao Zhang , Adam Kortylewski , Qing Liu , Seyoun Park , Benjamin Green , Elizabeth Engle , Guillermo Almodovar , Ryan Walk , Sigfredo Soto-Diaz , Janis Taube , Alex Szalay , Alan Yuille

Lightweight design, as a key approach to mitigate disparity between computational requirements of deep learning models and hardware performance, plays a pivotal role in advancing application of deep learning technologies on mobile and…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Hanhua Long , Wenbin Bi , Jian Sun

Neural networks commonly execute on hardware accelerators such as NPUs and GPUs for their size and computation overhead. These accelerators are costly and it is hard to scale their resources to handle real-time workload fluctuations. We…

Machine Learning · Computer Science 2025-10-06 Jaemin Kim , Hongjun Um , Sungkyun Kim , Yongjun Park , Jiwon Seo

Diffusion Transformers have demonstrated remarkable capabilities in image generation but often come with excessive parameterization, resulting in considerable inference overhead in real-world applications. In this work, we present…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Gongfan Fang , Kunjun Li , Xinyin Ma , Xinchao Wang

Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational…

Quantitative Methods · Quantitative Biology 2024-10-08 Fei Ye , Zaixiang Zheng , Dongyu Xue , Yuning Shen , Lihao Wang , Yiming Ma , Yan Wang , Xinyou Wang , Xiangxin Zhou , Quanquan Gu

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Diffusion models produce high quality images but inference is costly due to many denoising steps and heavy matrix operations. We present DiffPro, a post-training, hardware-faithful framework that works with the exact integer kernels used in…

Machine Learning · Computer Science 2025-11-17 Farhana Amin , Sabiha Afroz , Kanchon Gharami , Mona Moghadampanah , Dimitrios S. Nikolopoulos

We investigate methods to reduce inference time and memory footprint in stable diffusion models by introducing lightweight decoders for both image and video synthesis. Traditional latent diffusion pipelines rely on large Variational…

Computer Vision and Pattern Recognition · Computer Science 2025-03-10 Alexey Buzovkin , Evgeny Shilov

With the increasing size of large language models, layer pruning has gained increased attention as a hardware-friendly approach for model compression. However, existing layer pruning methods struggle to simultaneously address key practical…

Computation and Language · Computer Science 2025-11-24 Tao Yuan , Haoli Bai , Yinfei Pan , Xuyang Cao , Tianyu Zhang , Lu Hou , Ting Hu , Xianzhi Yu

We present TerraBind, a foundation model for protein-ligand structure and binding affinity prediction that achieves 26-fold faster inference than state-of-the-art methods while improving affinity prediction accuracy by $\sim$20\%. Current…

Deep learning has revolutionized medical image analysis, playing a vital role in modern clinical applications. However, the deployment of large-scale models in real-world clinical settings remains challenging due to high computational…

Machine Learning · Computer Science 2026-02-03 Cuong Manh Nguyen , Truong-Son Hy

Recently, 3D vision-based diffusion policies have shown strong capability in learning complex robotic manipulation skills. However, a common architectural mismatch exists in these models: a tiny yet efficient point-cloud encoder is often…

Robotics · Computer Science 2026-02-02 Jinhao Zhang , Zhexuan Zhou , Huizhe Li , Yichen Lai , Wenlong Xia , Haoming Song , Youmin Gong , Jie Mei

Generative models for de novo protein backbone design have achieved remarkable success in creating novel protein structures. However, these diffusion-based approaches remain computationally intensive and slower than desired for large-scale…

Machine Learning · Computer Science 2026-02-09 Shentong Mo , Lanqing Li

The large number of parameters in Pretrained Language Models enhance their performance, but also make them resource-intensive, making it challenging to deploy them on commodity hardware like a single GPU. Due to the memory and power…

Computation and Language · Computer Science 2024-01-09 Zirui Liu , Qingquan Song , Qiang Charles Xiao , Sathiya Keerthi Selvaraj , Rahul Mazumder , Aman Gupta , Xia Hu

Accurate and efficient medical image segmentation is crucial but challenging due to anatomical variability and high computational demands on volumetric data. Recent hybrid CNN-Transformer architectures achieve state-of-the-art results but…

Image and Video Processing · Electrical Eng. & Systems 2025-07-28 Nand Kumar Yadav , Rodrigue Rizk , William CW Chen , KC Santosh

Extremely efficient convolutional neural network architectures are one of the most important requirements for limited-resource devices (such as embedded and mobile devices). The computing power and memory size are two important constraints…

Computer Vision and Pattern Recognition · Computer Science 2021-03-09 Fahimeh Fooladgar , Shohreh Kasaei

As the performance gains from accelerating quantized matrix multiplication plateau, the softmax operation becomes the critical bottleneck in Transformer inference. This bottleneck stems from two hardware limitations: (1) limited data…

Machine Learning · Computer Science 2026-02-03 Zisheng Ye , Xiaoyu He , Maoyuan Song , Guoliang Qiu , Chao Liao , Chen Wu , Yonggang Sun , Zhichun Li , Xiaoru Xie , Yuanyong Luo , Hu Liu , Pinyan Lu , Heng Liao

Recent advances in protein large language models, such as ProtTeX, represent both side-chain amino acids and backbone structure as discrete token sequences of residue length. While this design enables unified modeling of multimodal protein…

Machine Learning · Computer Science 2025-08-19 Chuanliu Fan , Zicheng Ma , Jun Gao , Nan Yu , Jun Zhang , Ziqiang Cao , Yi Qin Gao , Guohong Fu