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Neural network (NN) model chemistries (MCs) promise to facilitate the accurate exploration of chemical space and simulation of large reactive systems. One important path to improving these models is to add layers of physical detail,…

Chemical Physics · Physics 2018-04-04 John E. Herr , Kun Yao , Ryker McIntyre , David Toth , John Parkhill

Adversarial loss in a conditional generative adversarial network (GAN) is not designed to directly optimize evaluation metrics of a target task, and thus, may not always guide the generator in a GAN to generate data with improved metric…

Sound · Computer Science 2019-05-14 Szu-Wei Fu , Chien-Feng Liao , Yu Tsao , Shou-De Lin

Generative Adversarial Networks (GANs) have recently achieved unprecedented success in photo-realistic image synthesis from low-dimensional random noise. The ability to synthesize high-quality content at a large scale brings potential risks…

Computer Vision and Pattern Recognition · Computer Science 2021-05-28 Celia Cintas , Skyler Speakman , Girmaw Abebe Tadesse , Victor Akinwande , Edward McFowland , Komminist Weldemariam

Domain reweighting can improve sample efficiency and downstream generalization, but data-mixture optimization for multimodal midtraining remains largely unexplored. Current multimodal training recipes tune mixtures along a single dimension,…

Machine Learning · Computer Science 2026-04-17 Bingbing Wen , Sirajul Salekin , Feiyang Kang , Bill Howe , Lucy Lu Wang , Javier Movellan , Manjot Bilkhu

We present a task-aware approach to synthetic data generation. Our framework employs a trainable synthesizer network that is optimized to produce meaningful training samples by assessing the strengths and weaknesses of a `target' network.…

Computer Vision and Pattern Recognition · Computer Science 2019-07-10 Shashank Tripathi , Siddhartha Chandra , Amit Agrawal , Ambrish Tyagi , James M. Rehg , Visesh Chari

Magnetic Resonance Spectroscopic Imaging (MRSI) is a clinical imaging modality for measuring tissue metabolite levels in-vivo. An accurate estimation of spectral parameters allows for better assessment of spectral quality and metabolite…

Computer Vision and Pattern Recognition · Computer Science 2018-05-28 Dhritiman Das , Eduardo Coello , Rolf F Schulte , Bjoern H Menze

Methane is a potent greenhouse gas, and detecting its leaks early via hyperspectral satellite imagery can help mitigate climate change. Meanwhile, many existing missions operate in manual tasking regimes only, thus missing potential events…

Computer Vision and Pattern Recognition · Computer Science 2025-07-03 Jonáš Herec , Vít Růžička , Rado Pitoňák

Machine learning models are being used extensively in many important areas, but there is no guarantee a model will always perform well or as its developers intended. Understanding the correctness of a model is crucial to prevent potential…

Machine Learning · Computer Science 2021-04-13 Huong Ha , Sunil Gupta , Santu Rana , Svetha Venkatesh

Machine learning researchers have long noticed the phenomenon that the model training process will be more effective and efficient when the training samples are densely sampled around the underlying decision boundary. While this observation…

Machine Learning · Computer Science 2021-09-24 Honggang Yu , Shihfeng Zeng , Teng Zhang , Ing-Chao Lin , Yier Jin

In this paper, we present a simple approach to train Generative Adversarial Networks (GANs) in order to avoid a \textit {mode collapse} issue. Implicit models such as GANs tend to generate better samples compared to explicit models that are…

Computer Vision and Pattern Recognition · Computer Science 2021-02-09 Seyed Mehdi Iranmanesh , Nasser M. Nasrabadi

Network architecture search (NAS) achieves state-of-the-art results in various tasks such as classification and semantic segmentation. Recently, a reinforcement learning-based approach has been proposed for Generative Adversarial Networks…

Computer Vision and Pattern Recognition · Computer Science 2021-01-01 Sivan Doveh , Raja Giryes

The deep generative adversarial networks (GAN) recently have been shown to be promising for different computer vision applications, like image edit- ing, synthesizing high resolution images, generating videos, etc. These networks and the…

Computer Vision and Pattern Recognition · Computer Science 2018-04-18 Ali Diba , Vivek Sharma , Rainer Stiefelhagen , Luc Van Gool

Generative adversarial networks (GANs) have emerged as a powerful tool for generating high-fidelity data. However, the main bottleneck of existing approaches is the lack of supervision on the generator training, which often results in…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Baoren Xiao , Hao Ni , Weixin Yang

In recent years, machine learning has been proposed as a promising strategy to build accurate scoring functions for computational docking finalized to numerically empowered drug discovery. However, the latest studies have suggested that…

Quantitative Methods · Quantitative Biology 2023-02-17 F. Pellicani , D. Dal Ben , A. Perali , S. Pilati

Dynamic ensemble selection systems work by estimating the level of competence of each classifier from a pool of classifiers. Only the most competent ones are selected to classify a given test sample. This is achieved by defining a criterion…

Machine Learning · Computer Science 2020-03-06 Rafael M. O. Cruz , Robert Sabourin , George D. C. Cavalcanti , Tsang Ing Ren

Deep learning based pan-sharpening has received significant research interest in recent years. Most of existing methods fall into the supervised learning framework in which they down-sample the multi-spectral (MS) and panchromatic (PAN)…

Computer Vision and Pattern Recognition · Computer Science 2022-06-15 Huanyu Zhou , Qingjie Liu , Dawei Weng , Yunhong Wang

Machine learning provides automated means to capture complex dynamics of wireless spectrum and support better understanding of spectrum resources and their efficient utilization. As communication systems become smarter with cognitive radio…

Networking and Internet Architecture · Computer Science 2021-01-08 Yalin E. Sagduyu , Tugba Erpek , Yi Shi

Retrosynthesis -- the process of identifying a set of reactants to synthesize a target molecule -- is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural…

Chemical Physics · Physics 2021-12-10 Ruoxi Sun , Hanjun Dai , Li Li , Steven Kearnes , Bo Dai

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

Adversarial learning of probabilistic models has recently emerged as a promising alternative to maximum likelihood. Implicit models such as generative adversarial networks (GAN) often generate better samples compared to explicit models…

Machine Learning · Computer Science 2018-01-08 Aditya Grover , Manik Dhar , Stefano Ermon