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In machine learning and molecular design, there exist two approaches: discriminative and generative. In the discriminative approach dubbed forward design, the goal is to map a set of features/molecules to their respective electronics…

Chemical Physics · Physics 2019-04-24 Alain Tchagang , Julio Valdés

In this paper, we introduce a deep multiple description coding (MDC) framework optimized by minimizing multiple description (MD) compressive loss. First, MD multi-scale-dilated encoder network generates multiple description tensors, which…

Computer Vision and Pattern Recognition · Computer Science 2020-01-14 Lijun Zhao , Huihui Bai , Anhong Wang , Yao Zhao

A novel two-phase molecule inference framework, mol-infer, has recently been developed to infer chemical graphs with prescribed abstract structures and desired property values through mixed integer linear programming (MILP) under the…

Quantitative Methods · Quantitative Biology 2026-05-29 Jianshen Zhu , Raveena Rai , Taiyo Sohkawa , Naveed Ahmed Azam , Kazuya Haraguchi , Liang Zhao , Tatsuya Akutsu

Deep convolutional neural networks (CNNs) have emerged as a new paradigm for Mammogram diagnosis. Contemporary CNN-based computer-aided-diagnosis (CAD) for breast cancer directly extract latent features from input mammogram image and ignore…

Image and Video Processing · Electrical Eng. & Systems 2020-08-13 Heyi Li , Dongdong Chen , William H. Nailon , Mike E. Davies , David Laurenson

This paper presents Discriminative Part Network (DP-Net), a deep architecture with strong interpretation capabilities, which exploits a pretrained Convolutional Neural Network (CNN) combined with a part-based recognition module. This system…

Computer Vision and Pattern Recognition · Computer Science 2024-04-24 Ronan Sicre , Hanwei Zhang , Julien Dejasmin , Chiheb Daaloul , Stéphane Ayache , Thierry Artières

In quantum mechanics, a norm squared wave function can be interpreted as the probability density that describes the likelihood of a particle to be measured in a given position or momentum. This statistical property is at the core of the…

Machine Learning · Computer Science 2020-11-12 Yingtao Luo , Xuefeng Zhu

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

Machine Learning · Computer Science 2022-08-31 Michel Frising , Jorge Bravo-Abad , Ferry Prins

We develop a reduced-order operator-learning framework for forward and inverse band-structure design of two-dimensional photonic crystals with binary, pixel-based $p4m$-symmetric unit cells. We construct a POD--DeepONet surrogate for the…

Optics · Physics 2026-01-05 Yueqi Wang , Guanglian Li , Guang Lin

In this effort we propose a novel approach for reconstructing multivariate functions from training data, by identifying both a suitable network architecture and an initialization using polynomial-based approximations. Training deep neural…

Machine Learning · Computer Science 2019-05-29 Joseph Daws , Clayton G. Webster

International Classification of Diseases (ICD) are the de facto codes used globally for clinical coding. These codes enable healthcare providers to claim reimbursement and facilitate efficient storage and retrieval of diagnostic…

Computation and Language · Computer Science 2022-02-22 Pavithra Rajendran , Alexandros Zenonos , Josh Spear , Rebecca Pope

This paper presents a new learning algorithm, termed Deep Bi-directional Predictive Coding (DBPC) that allows developing networks to simultaneously perform classification and reconstruction tasks using the same weights. Predictive Coding…

Machine Learning · Computer Science 2023-05-31 Senhui Qiu , Saugat Bhattacharyya , Damien Coyle , Shirin Dora

One of the distinct characteristics in radiologists' reading of multiparametric prostate MR scans, using reporting systems such as PI-RADS v2.1, is to score individual types of MR modalities, T2-weighted, diffusion-weighted, and dynamic…

Image and Video Processing · Electrical Eng. & Systems 2024-01-23 Wen Yan , Bernard Chiu , Ziyi Shen , Qianye Yang , Tom Syer , Zhe Min , Shonit Punwani , Mark Emberton , David Atkinson , Dean C. Barratt , Yipeng Hu

Recent studies on multi-label image classification have focused on designing more complex architectures of deep neural networks such as the use of attention mechanisms and region proposal networks. Although performance gains have been…

Computer Vision and Pattern Recognition · Computer Science 2019-05-10 Qian Wang , Ning Jia , Toby P. Breckon

The goal of spatial-configuration-based classification is to build a classifier to distinguish two classes (e.g., responder, non-responder) based on the spatial arrangements (e.g., spatial interactions between different point categories)…

Computer Vision and Pattern Recognition · Computer Science 2022-03-21 Majid Farhadloo , Carl Molnar , Gaoxiang Luo , Yan Li , Shashi Shekhar , Rachel L. Maus , Svetomir N. Markovic , Raymond Moore , Alexey Leontovich

Composite materials often exhibit mechanical anisotropy owing to the material properties or geometrical configurations of the microstructure. This makes their inverse design a two-fold problem. First, we must learn the type and orientation…

Computational Engineering, Finance, and Science · Computer Science 2024-12-19 Asghar A. Jadoon , Karl A. Kalina , Manuel K. Rausch , Reese Jones , Jan N. Fuhg

We investigate neural network image reconstruction for magnetic particle imaging. The network performance depends strongly on the convolution effects of the spectrum input data. The larger convolution effect appearing at a relatively…

Medical Physics · Physics 2017-09-25 Byung Gyu Chae

This is a presentation of a new system for invariant recognition of 2D objects with overlapping classes, that can not be effectively recognized with the traditional methods. The translation, scale and partial rotation invariant contour…

Robotics · Computer Science 2007-05-23 I. Topalova

A computational framework that leverages data from self-consistent field theory simulations with deep learning to accelerate the exploration of parameter space for block copolymers is presented. This is a substantial two-dimensional…

Materials Science · Physics 2023-07-04 Yao Xuan , Kris T. Delaney , Hector D. Ceniceros , Glenn H. Fredrickson

Recently, with convolutional neural networks gaining significant achievements in many challenging machine learning fields, hand-crafted neural networks no longer satisfy our requirements as designing a network will cost a lot, and…

Machine Learning · Computer Science 2018-11-01 Guoqiang Zhong , Wencong Jiao , Wei Gao

A supervised diagnosis system for digital mammogram is developed. The diagnosis processes are done by transforming the data of the images into a feature vector using wavelets multilevel decomposition. This vector is used as the feature…

Image and Video Processing · Electrical Eng. & Systems 2020-03-09 Essam A. Rashed , and Mohamed G. Awad