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Markov state models (MSMs) are valuable for studying dynamics of protein conformational changes via statistical analysis of molecular dynamics (MD) simulations. In MSMs, the complex configuration space is coarse-grained into conformational…

Biological Physics · Physics 2024-06-11 Dedi Wang , Yunrui Qiu , Eric Beyerle , Xuhui Huang , Pratyush Tiwary

State-space models (SSMs), particularly the Mamba architecture, have emerged as powerful alternatives to Transformers for sequence modeling, offering linear-time complexity and competitive performance across diverse tasks. However, their…

Machine Learning · Computer Science 2025-09-30 Ibne Farabi Shihab , Sanjeda Akter , Anuj Sharma

Human-human interaction generation has garnered significant attention in motion synthesis due to its vital role in understanding humans as social beings. However, existing methods typically rely on transformer-based architectures, which…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Zizhao Wu , Yingying Sun , Yiming Chen , Xiaoling Gu , Ruyu Liu , Jiazhou Chen

Transformers have become dominant in large-scale deep learning tasks across various domains, including text, 2D and 3D vision. However, the quadratic complexity of their attention mechanism limits their efficiency as the sequence length…

Computer Vision and Pattern Recognition · Computer Science 2024-11-04 Nursena Köprücü , Destiny Okpekpe , Antonio Orvieto

A comprehensive understanding of molecular structures is important for the prediction of molecular ground-state conformation involving property information. Meanwhile, state space model (e.g., Mamba) has recently emerged as a promising…

Chemical Physics · Physics 2025-11-14 Yuxin Gou , Aming Wu , Richang Hong , Meng Wang

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…

Efficient encoding and representation of large 3D molecular structures with high fidelity is critical for biomolecular design applications. Despite this, many representation learning approaches restrict themselves to modeling smaller…

Machine Learning · Computer Science 2025-04-10 Andrew Liu , Axel Elaldi , Nathan Russell , Olivia Viessmann

Retrosynthesis is the task of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found. Consequently, the goal is to provide a valid synthesis route for a…

Automated detection of surgical errors can improve robotic-assisted surgery. Despite promising progress, existing methods still face challenges in capturing rich temporal context to establish long-term dependencies while maintaining…

Computer Vision and Pattern Recognition · Computer Science 2024-12-04 Jialang Xu , Nazir Sirajudeen , Matthew Boal , Nader Francis , Danail Stoyanov , Evangelos Mazomenos

Predicting whether a chemical structure shares a desired biological effect can have a significant impact for in-silico compound screening in early drug discovery. In this study, we developed a deep learning model where compound structures…

Quantitative Methods · Quantitative Biology 2020-04-03 C. Fotis , N. Meimetis , A. Sardis , L. G. Alexopoulos

State Space Model (SSM) is a mathematical model used to describe and analyze the behavior of dynamic systems. This model has witnessed numerous applications in several fields, including control theory, signal processing, economics and…

Computer Vision and Pattern Recognition · Computer Science 2024-05-08 Xiao Liu , Chenxu Zhang , Lei Zhang

Computer-Aided Design (CAD) generative modeling has a strong and long-term application in the industry. Recently, the parametric CAD sequence as the design logic of an object has been widely mined by sequence models. However, the industrial…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Xueyang Li , Yunzhong Lou , Yu Song , Xiangdong Zhou

Dynamical analysis of manufacturing and natural systems provides critical information about production of manufactured and natural resources respectively, thus playing an important role in assessing sustainability of these systems. However,…

Systems and Control · Electrical Eng. & Systems 2021-10-19 William Farlessyost , Shweta Singh

State space models (SSMs) with selection mechanisms and hardware-aware architectures, namely Mamba, have recently demonstrated significant promise in long-sequence modeling. Since the self-attention mechanism in transformers has quadratic…

Computer Vision and Pattern Recognition · Computer Science 2024-04-29 Hanwei Zhang , Ying Zhu , Dan Wang , Lijun Zhang , Tianxiang Chen , Zi Ye

Sufficient cross-task interaction is crucial for success in multi-task dense prediction. However, sufficient interaction often results in high computational complexity, forcing existing methods to face the trade-off between interaction…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Mang Cao , Sanping Zhou , Yizhe Li , Ye Deng , Wenli Huang , Le Wang

Multispectral fusion object detection is a critical task for edge-based maritime surveillance and remote sensing, demanding both high inference efficiency and robust feature representation for high-resolution inputs. However, current State…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Qianqian Zhang , Leon Tabaro , Ahmed M. Abdelmoniem , Junshe An

Efficiently modeling large 2D contexts is essential for various fields including Giga-Pixel Whole Slide Imaging (WSI) and remote sensing. Transformer-based models offer high parallelism but face challenges due to their quadratic complexity…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Jingwei Zhang , Anh Tien Nguyen , Xi Han , Vincent Quoc-Huy Trinh , Hong Qin , Dimitris Samaras , Mahdi S. Hosseini

State Space Models (SSMs) with selective scan (Mamba) have been adapted into efficient vision models. Mamba, unlike Vision Transformers, achieves linear complexity for token interactions through a recurrent hidden state process. This…

Computer Vision and Pattern Recognition · Computer Science 2025-02-04 Saarthak Kapse , Robin Betz , Srinivasan Sivanandan

Current video benchmarks for multimodal large language models (MLLMs) focus on event recognition, temporal ordering, and long-context recall, but overlook a harder capability required for expert procedural judgment: tracking how ongoing…

Computer Vision and Pattern Recognition · Computer Science 2026-04-13 Xiyang Huang , Jiawei Lin , Keying Wu , Jiaxin Huang , Kailai Yang , Renxiong Wei , Cheng zeng , Jiayi Xiang , Ziyan Kuang , Min Peng , Qianqian Xie , Sophia Ananiadou

In the era of large-scale pre-trained models, effectively adapting general knowledge to specific affective computing tasks remains a challenge, particularly regarding computational efficiency and multimodal heterogeneity. While…

Artificial Intelligence · Computer Science 2026-03-20 Yan Li , Yifei Xing , Xiangyuan Lan , Xin Li , Haifeng Chen , Dongmei Jiang