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The deployment of large language models for specialized tasks often requires domain-specific parameter-efficient finetuning through Low-Rank Adaptation (LoRA) modules. However, effectively fusing these adapters to handle complex,…

Computation and Language · Computer Science 2025-12-15 Shreya Shukla , Aditya Sriram , Milinda Kuppur Narayanaswamy , Hiteshi Jain

Flow matching has recently emerged as a principled framework for learning continuous-time transport maps, enabling efficient ODE-based sampling without relying on stochastic diffusion processes. While generative modeling has shown promise…

Computer Vision and Pattern Recognition · Computer Science 2026-05-08 Zhi Chen , Runze Hu , Le Zhang

AlphaFold 3 (AF3) is a powerful biomolecular structure-predicting tool based on the latest deep learning algorithms and revolutionized AI model architectures. A few of papers have already investigated its accuracy in predicting different…

Biomolecules · Quantitative Biology 2025-11-19 Yiyang Xu , Ziyou Shen , Yanqing Lv , Shutong Tan , Chun Sun , Juan Zhang

Designing photonic integrated circuits requires accurate electromagnetic field simulations, which remain computationally expensive even for simple device geometries. We present PIC-Flow, a generative neural surrogate that predicts…

Optics · Physics 2026-05-11 Joseph Quaratiello , Anthony Rizzo

Flow-based latent generative models such as Stable Diffusion 3 are able to generate images with remarkable quality, even enabling photorealistic text-to-image generation. Their impressive performance suggests that these models should also…

Computer Vision and Pattern Recognition · Computer Science 2025-10-13 Julius Erbach , Dominik Narnhofer , Andreas Dombos , Bernt Schiele , Jan Eric Lenssen , Konrad Schindler

Despite recent advances in photorealistic image generation through large-scale models like FLUX and Stable Diffusion v3, the practical deployment of these architectures remains constrained by their inherent intractability to parameter…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Zhiwen Li , Zhongjie Duan , Die Chen , Cen Chen , Daoyuan Chen , Yaliang Li , Yingda Chen

Robotic manipulation in high-precision tasks is essential for numerous industrial and real-world applications where accuracy and speed are required. Yet current diffusion-based policy learning methods generally suffer from low computational…

Robotics · Computer Science 2025-06-23 Sen Wang , Le Wang , Sanping Zhou , Jingyi Tian , Jiayi Li , Haowen Sun , Wei Tang

The cornerstone of computational drug design is the calculation of binding affinity between two biological counterparts, especially a chemical compound, i.e., a ligand, and a protein. Predicting the strength of protein-ligand binding with…

Biomolecules · Quantitative Biology 2019-12-04 Yanjun Li , Mohammad A. Rezaei , Chenglong Li , Xiaolin Li , Dapeng Wu

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and…

Machine Learning · Computer Science 2024-12-30 Kaihui Cheng , Ce Liu , Qingkun Su , Jun Wang , Liwei Zhang , Yining Tang , Yao Yao , Siyu Zhu , Yuan Qi

Molecular 3D conformations play a key role in determining how molecules interact with other molecules or protein surfaces. Recent deep learning advancements have improved conformation prediction, but slow training speeds and difficulties in…

Machine Learning · Computer Science 2024-12-17 Qingwen Tian , Yuxin Xu , Yixuan Yang , Zhen Wang , Ziqi Liu , Pengju Yan , Xiaolin Li

Crystal structure prediction is a long-standing challenge in materials science, with most data-driven methods developed for inorganic systems. This leaves an important gap for organic crystals, which are central to pharmaceuticals,…

Materials Science · Physics 2026-02-25 Mohammadmahdi Vahediahmar , Matthew A. McDonald , Feng Liu

In many practical fluid dynamics experiments, measuring variables such as velocity and pressure is possible only at a limited number of sensor locations, \textcolor{black}{for a few two-dimensional planes, or for a small 3D domain in the…

Fluid Dynamics · Physics 2023-07-14 Ali Girayhan Özbay , Sylvain Laizet

Edge intelligence has emerged as a promising strategy to deliver low-latency and ubiquitous services for mobile devices. Recent advances in fine-tuning mechanisms of foundation models have enabled edge intelligence by integrating low-rank…

Signal Processing · Electrical Eng. & Systems 2025-09-25 Jingyi Wang , Zhongyuan Zhao , Qingtian Wang , Zexu Li , Yue Wang , Tony Q. S. Quek

Adaptability has been regarded as a central feature in the foundation models, enabling them to effectively acclimate to unseen downstream tasks. Parameter-efficient fine-tuning methods such as celebrated LoRA facilitate efficient adaptation…

Machine Learning · Computer Science 2026-02-10 Gagik Magakyan , Amirhossein Reisizadeh , Chanwoo Park , Pablo A. Parrilo , Asuman Ozdaglar

In this work, we introduce AutoFragDiff, a fragment-based autoregressive diffusion model for generating 3D molecular structures conditioned on target protein structures. We employ geometric vector perceptrons to predict atom types and…

Biomolecules · Quantitative Biology 2024-01-12 Mahdi Ghorbani , Leo Gendelev , Paul Beroza , Michael J. Keiser

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Recent advances in vision foundation models have revolutionized geometry reconstruction and semantic understanding. Yet, most of the existing approaches treat these capabilities in isolation, leading to redundant pipelines and compounded…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Chaoyi Zhou , Run Wang , Feng Luo , Mert D. Pesé , Zhiwen Fan , Yiqi Zhong , Siyu Huang

Multi-slice magnetic resonance images of the fetal brain are usually contaminated by severe and arbitrary fetal and maternal motion. Hence, stable and robust motion correction is necessary to reconstruct high-resolution 3D fetal brain…

Image and Video Processing · Electrical Eng. & Systems 2022-09-23 Wen Shi , Haoan Xu , Cong Sun , Jiwei Sun , Yamin Li , Xinyi Xu , Tianshu Zheng , Yi Zhang , Guangbin Wang , Dan Wu

Methods for jointly generating molecular graphs along with their 3D conformations have gained prominence recently due to their potential impact on structure-based drug design. Current approaches, however, often suffer from very slow…

Machine Learning · Computer Science 2025-03-03 Ross Irwin , Alessandro Tibo , Jon Paul Janet , Simon Olsson

Foundation models pre-trained on large-scale datasets demonstrate strong transfer learning capabilities; however, their adaptation to complex multi-label diagnostic tasks-such as comprehensive head CT finding detection-remains understudied.…