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We introduce a methodology for designing and training deep neural networks (DNN) that we call "Deep Regression Ensembles" (DRE). It bridges the gap between DNN and two-layer neural networks trained with random feature regression. Each layer…

机器学习 · 统计学 2022-03-11 Antoine Didisheim , Bryan Kelly , Semyon Malamud

Imaging modalities such as Computed Tomography (CT) and Positron Emission Tomography (PET) are key in cancer detection, inspiring Deep Neural Networks (DNN) models that merge these scans for tumor segmentation. When both CT and PET scans…

图像与视频处理 · 电气工程与系统科学 2024-04-23 Nada Saadi , Numan Saeed , Mohammad Yaqub , Karthik Nandakumar

The electrochemical reduction of atmospheric CO$_2$ into high-energy molecules with renewable energy is a promising avenue for energy storage that can take advantage of existing infrastructure especially in areas where sustainable…

Lagrangian trajectories are widely used as observations for recovering the underlying flow field via Lagrangian data assimilation (DA). However, the strong nonlinearity in the observational process and the high dimensionality of the…

流体动力学 · 物理学 2024-02-06 Quanling Deng , Nan Chen , Samuel N. Stechmann , Jiuhua Hu

This work presents a two-stage physics-informed, data-driven constitutive modeling framework for hyperelastic soft materials undergoing progressive damage and failure. The framework is grounded in the concept of hyperelasticity with energy…

计算工程、金融与科学 · 计算机科学 2026-02-13 Kshitiz Upadhyay

The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

生物大分子 · 定量生物学 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

Target-oriented discovery under limited evaluation budgets requires making reliable progress in high-dimensional, heterogeneous design spaces where each new measurement is costly, whether experimental or high-fidelity simulation. We present…

机器学习 · 计算机科学 2026-02-04 Yixuan Zhang , Zhiyuan Li , Weijia He , Mian Dai , Chen Shen , Teng Long , Hongbin Zhang

Single-particle cryo-EM has transformed structural biology but still faces challenges in resolving conformational heterogeneity at atomic resolution. Existing cryo-EM heterogeneity analysis methods either lack atomic details or tend to…

生物大分子 · 定量生物学 2025-10-21 Chengwei Zhang , Shimian Li , Yihao Niu , Zhen Zhu , Sihao Yuan , Sirui Liu , Yi Qin Gao

Despite the successful implementations of physics-informed neural networks in different scientific domains, it has been shown that for complex nonlinear systems, achieving an accurate model requires extensive hyperparameter tuning, network…

计算工程、金融与科学 · 计算机科学 2022-11-30 Milad Ramezankhani , Amir Nazemi , Apurva Narayan , Heinz Voggenreiter , Mehrtash Harandi , Rudolf Seethaler , Abbas S. Milani

Dimensionality reduction (DR) is characterized by two longstanding trade-offs. First, there is a global-local preservation tension: methods such as t-SNE and UMAP prioritize local neighborhood preservation, yet may distort global manifold…

机器学习 · 计算机科学 2026-04-06 Zeyang Huang , Angelos Chatzimparmpas , Thomas Höllt , Takanori Fujiwara

A shape sensitive, variational approach for the matching of surfaces considered as thin elastic shells is investigated. The elasticity functional to be minimized takes into account two different types of nonlinear energies: a membrane…

最优化与控制 · 数学 2021-06-09 José A. Iglesias , Martin Rumpf , Otmar Scherzer

The high-precision solution of the radial Dirac equation is fundamental to relativistic quantum chemistry, essential for reliable pseudopotential generation and all-electron electronic structure methods. However, standard basis-set…

数值分析 · 数学 2026-04-14 Sheng Chen , Sihong Shao , Shuai Wu

Dynamical energy analysis was recently introduced as a new method for determining the distribution of mechanical and acoustic wave energy in complex built up structures. The technique interpolates between standard statistical energy…

计算物理 · 物理学 2012-08-21 David J. Chappell , Gregor Tanner , Stefano Giani

Diffusion models (DMs) have recently gained significant interest for their exceptional potential in recommendation tasks. This stems primarily from their prominent capability in distilling, modeling, and generating comprehensive user…

信息检索 · 计算机科学 2025-11-26 Ximing Chen , Pui Ieng Lei , Yijun Sheng , Yanyan Liu , Zhiguo Gong

In this paper, we report a shape synthesis method for multi-mode dielectric resonator antennas (DRA) using characteristic mode theory (CMT) and a binary genetic algorithm (BGA). By including the antenna's characteristic modal responses…

应用物理 · 物理学 2024-07-02 Binbin Yang , Jaewoo Kim , Trupti Bellundagi , Jacob J. Adams

Addressing the resource waste caused by fixed computation paradigms in deep learning models under dynamic scenarios, this paper proposes a Transformer$^{-1}$ architecture based on the principle of deep adaptivity. This architecture achieves…

The increasing integration of distributed energy resources (DERs) calls for new planning and operational tools. However, such tools depend on system topology and line parameters, which may be missing or inaccurate in distribution grids.…

系统与控制 · 计算机科学 2017-05-25 Jiafan Yu , Yang Weng , Ram Rajagopal

We introduce a framework for designing multi-scale, adaptive, shift-invariant frames and bi-frames for representing signals. The new framework, called AdaFrame, improves over dictionary learning-based techniques in terms of computational…

计算机视觉与模式识别 · 计算机科学 2015-07-20 Cheng Tai , Weinan E

We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…

机器学习 · 计算机科学 2024-03-26 Haote Li , Yu Shee , Brandon Allen , Federica Maschietto , Victor Batista

Within data-driven artificial intelligence (AI) systems for industrial applications, ensuring the reliability of the incoming data streams is an integral part of trustworthy decision-making. An approach to assess data validity is data…

数据库 · 计算机科学 2024-08-14 Firas Bayram , Bestoun S. Ahmed , Erik Hallin
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