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Accurate modeling of the solvent environment for biological molecules is crucial for computational biology and drug design. A popular approach to achieve long simulation time scales for large system sizes is to incorporate the effect of the…

Computational Physics · Physics 2021-08-27 Yaoyi Chen , Andreas Krämer , Nicholas E. Charron , Brooke E. Husic , Cecilia Clementi , Frank Noé

Evaluating the mechanical response of fiber-reinforced composites can be extremely time consuming and expensive. Machine learning (ML) techniques offer a means for faster predictions via models trained on existing input-output pairs and…

Materials Science · Physics 2024-10-03 Yixuan Sun , Imad Hanhan , Michael D. Sangid , Guang Lin

Physics-informed Machine Learning has recently become attractive for learning physical parameters and features from simulation and observation data. However, most existing methods do not ensure that the physics, such as balance laws (e.g.,…

Numerical Analysis · Mathematics 2021-09-10 Satish Karra , Bulbul Ahmmed , Maruti K. Mudunuru

Detection and classification of pulmonary nodules is a challenge in medical image analysis due to the variety of shapes and sizes of nodules and their high concealment. Despite the success of traditional deep learning methods in image…

Image and Video Processing · Electrical Eng. & Systems 2025-02-28 Junji Lin , Yi Zhang , Yunyue Pan , Yuli Chen , Chengchang Pan , Honggang Qi

Extracting and binding salient information from different sensory modalities to determine common features in the environment is a significant challenge in robotics. Here we present MuPNet (Multi-modal Predictive Coding Network), a…

This study presents a systematic analysis of the capabilities of a flamelet model based on Flamelet Generated Manifolds (FGM) to reproduce preferential diffusion effects in partially premixed hydrogen flames. Detailed transport effects are…

Fluid Dynamics · Physics 2023-12-05 Eduardo Javier Pérez-Sánchez , Emiliano Manuel Fortes , Daniel Mira

The ever-increasing size of large language models (LLMs) presents significant challenges for deployment due to their heavy computational and memory requirements. Current model pruning techniques attempt to alleviate these issues by relying…

Computation and Language · Computer Science 2025-03-03 Ayan Sengupta , Siddhant Chaudhary , Tanmoy Chakraborty

Permeability is a central concept in the macroscopic description of flow through porous media, with applications spanning from oil recovery to hydrology. Traditional methods for determining the permeability tensor involving flow simulations…

Fluid Dynamics · Physics 2025-12-02 Sigurd Vargdal , Paula Reis , Henrik Andersen Sveinsson , Gaute Linga

Despite the remarkable success of pre-trained language models (PLMs), they still face two challenges: First, large-scale PLMs are inefficient in terms of memory footprint and computation. Second, on the downstream tasks, PLMs tend to rely…

Computation and Language · Computer Science 2022-10-12 Yuanxin Liu , Fandong Meng , Zheng Lin , Jiangnan Li , Peng Fu , Yanan Cao , Weiping Wang , Jie Zhou

We used interpretable machine learning to combine information from multiple heterogeneous spectra: X-ray absorption near-edge spectra (XANES) and atomic pair distribution functions (PDFs) to extract local structural and chemical…

Materials Science · Physics 2025-04-14 Tanaporn Na Narong , Zoe N. Zachko , Steven B. Torrisi , Simon J. L. Billinge

Deep Operator Network (DeepONet), a recently introduced deep learning operator network, approximates linear and nonlinear solution operators by taking parametric functions (infinite-dimensional objects) as inputs and mapping them to…

Computational Engineering, Finance, and Science · Computer Science 2023-10-12 Junyan He , Shashank Kushwaha , Jaewan Park , Seid Koric , Diab Abueidda , Iwona Jasiuk

Diffusion regulates numerous natural processes and the dynamics of many successful generative models. Existing models to learn the diffusion terms from observational data rely on complex bilevel optimization problems and model only the…

Machine Learning · Computer Science 2024-10-21 Antonio Terpin , Nicolas Lanzetti , Martin Gadea , Florian Dörfler

Transfer learning (TL) for medical image segmentation helps deep learning models achieve more accurate performances when there are scarce medical images. This study focuses on completing segmentation of the ribs from lung ultrasound images…

Image and Video Processing · Electrical Eng. & Systems 2021-10-06 Dorothy Cheng , Edmund Y. Lam

Residual neural networks (ResNets) are a promising class of deep neural networks that have shown excellent performance for a number of learning tasks, e.g., image classification and recognition. Mathematically, ResNet architectures can be…

Optimization and Control · Mathematics 2019-07-26 S. Günther , L. Ruthotto , J. B. Schroder , E. C. Cyr , N. R. Gauger

Uncertainty propagation in nonlinear dynamic systems remains an outstanding problem in scientific computing and control. Numerous approaches have been developed, but are limited in their capability to tackle problems with more than a few…

Dynamical Systems · Mathematics 2019-11-22 Tenavi Nakamura-Zimmerer , Daniele Venturi , Qi Gong , Wei Kang

The accurate prediction of small scales in underresolved flows is still one of the main challenges in predictive simulations of complex configurations. Over the last few years, data-driven modeling has become popular in many fields as…

Fluid Dynamics · Physics 2022-10-31 Mathis Bode

Deep Learning models have become the dominant approach in several areas due to their high performance. Unfortunately, the size and hence computational requirements of operating such models can be considerably high. Therefore, this…

Computer Vision and Pattern Recognition · Computer Science 2019-12-04 Abdullah Salama , Oleksiy Ostapenko , Tassilo Klein , Moin Nabi

Recently, several types of end-to-end speech recognition methods named transformer-transducer were introduced. According to those kinds of methods, transcription networks are generally modeled by transformer-based neural networks, while…

Machine Learning · Computer Science 2020-11-03 Jae-Jin Jeon , Eesung Kim

In this paper, we investigate the robust dictionary learning (DL) to discover the hybrid salient low-rank and sparse representation in a factorized compressed space. A Joint Robust Factorization and Projective Dictionary Learning (J-RFDL)…

Machine Learning · Computer Science 2019-12-30 Jiahuan Ren , Zhao Zhang , Sheng Li , Yang Wang , Guangcan Liu , Shuicheng Yan , Meng Wang

Tasks that rely on multi-modal information typically include a fusion module that combines information from different modalities. In this work, we develop a Refiner Fusion Network (ReFNet) that enables fusion modules to combine strong…

Computer Vision and Pattern Recognition · Computer Science 2021-04-09 Sethuraman Sankaran , David Yang , Ser-Nam Lim