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Expensive-to-train deep learning models can benefit from an optimization of the hyperparameters that determine the model architecture. We optimize 23 hyperparameters of a materials informatics model, Compositionally-Restricted…

Materials Science · Physics 2023-03-20 Sterling G. Baird , Marianne Liu , Taylor D. Sparks

Efficient optimization of molecules with targeted properties remains a significant challenge due to the vast size and discrete nature of chemical compound space. Conventional machine-learning-based optimization approaches typically require…

Chemical Physics · Physics 2026-03-04 Yun-Wen Mao , Roman V. Krems

Complex-Valued Neural Networks (CVNNs) have significant advantages in handling tasks that involve complex numbers. However, existing CVNNs are unable to quantify predictive uncertainty. We propose, for the first time, dropout-based Bayesian…

Hardware Architecture · Computer Science 2026-04-23 Zehuan Zhang , Mark Chen , He Li , Wayne Luk

The cost involved in training deep neural networks (DNNs) on von-Neumann architectures has motivated the development of novel solutions for efficient DNN training accelerators. We propose a hybrid in-memory computing (HIC) architecture for…

Hardware Architecture · Computer Science 2021-02-11 Vinay Joshi , Wangxin He , Jae-sun Seo , Bipin Rajendran

Computing-in-Memory (CiM) architectures based on emerging non-volatile memory (NVM) devices have demonstrated great potential for deep neural network (DNN) acceleration thanks to their high energy efficiency. However, NVM devices suffer…

Hardware Architecture · Computer Science 2022-07-26 Zheyu Yan , Xiaobo Sharon Hu , Yiyu Shi

Bayesian Optimization (BO) is an effective approach for global optimization of black-box functions when function evaluations are expensive. Most prior works use Gaussian processes to model the black-box function, however, the use of kernels…

Machine Learning · Computer Science 2023-09-25 Dat Phan-Trong , Hung Tran-The , Sunil Gupta

Deep neural networks (DNNs) have been increasingly deployed on and integrated with edge devices, such as mobile phones, drones, robots and wearables. To run DNN inference directly on edge devices (a.k.a. edge inference) with a satisfactory…

Machine Learning · Computer Science 2020-09-18 Bingqian Lu , Jianyi Yang , Shaolei Ren

Computing-in-Memory (CIM) macros have gained popularity for deep learning acceleration due to their highly parallel computation and low power consumption. However, limited macro size and ADC precision introduce throughput and accuracy…

Hardware Architecture · Computer Science 2026-05-01 Ming-Han Lin , Tian-Sheuan Chang

Bayesian optimization (BO) is a powerful approach for seeking the global optimum of expensive black-box functions and has proven successful for fine tuning hyper-parameters of machine learning models. However, BO is practically limited to…

Machine Learning · Statistics 2020-09-28 Riccardo Moriconi , Marc P. Deisenroth , K. S. Sesh Kumar

Fault-tolerant deep learning accelerator is the basis for highly reliable deep learning processing and critical to deploy deep learning in safety-critical applications such as avionics and robotics. Since deep learning is known to be…

Hardware Architecture · Computer Science 2023-12-22 Qing Zhang , Cheng Liu , Bo Liu , Haitong Huang , Ying Wang , Huawei Li , Xiaowei Li

Bayesian Neural Networks (BNNs) can overcome the problem of overconfidence that plagues traditional frequentist deep neural networks, and are hence considered to be a key enabler for reliable AI systems. However, conventional hardware…

Neural and Evolutionary Computing · Computer Science 2024-01-30 Prabodh Katti , Nicolas Skatchkovsky , Osvaldo Simeone , Bipin Rajendran , Bashir M. Al-Hashimi

Bayesian optimization (BO) has shown impressive results in a variety of applications within low-to-moderate dimensional Euclidean spaces. However, extending BO to high-dimensional settings remains a significant challenge. We address this…

Machine Learning · Statistics 2024-03-11 Shouri Hu , Jiawei Li , Zhibo Cai

The deployment of deep neural networks (DNNs) on compute-in-memory (CiM) accelerators offers significant energy savings and speed-up by reducing data movement during inference. However, the reliability of CiM-based systems is challenged by…

Hardware Architecture · Computer Science 2025-12-23 Akul Malhotra , Sumeet Kumar Gupta

Deep neural networks (DNNs) have been shown to outperform conventional machine learning algorithms across a wide range of applications, e.g., image recognition, object detection, robotics, and natural language processing. However, the high…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-23 Ye Yu , Yingmin Li , Shuai Che , Niraj K. Jha , Weifeng Zhang

High-performance catalysts are crucial for sustainable energy conversion and human health. However, the discovery of catalysts faces challenges due to the absence of efficient approaches to navigating vast and high-dimensional structure and…

Machine Learning · Computer Science 2025-11-13 Jie Chen , Pengfei Ou , Yuxin Chang , Hengrui Zhang , Xiao-Yan Li , Edward H. Sargent , Wei Chen

Deep convolutional neural networks (DCNNs) have dominated the recent developments in computer vision through making various record-breaking models. However, it is still a great challenge to achieve powerful DCNNs in resource-limited…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Jiaxin Gu , Junhe Zhao , Xiaolong Jiang , Baochang Zhang , Jianzhuang Liu , Guodong Guo , Rongrong Ji

Being able to learn from complex data with phase information is imperative for many signal processing applications. Today' s real-valued deep neural networks (DNNs) have shown efficiency in latent information analysis but fall short when…

Machine Learning · Computer Science 2021-08-11 Hongwu Peng , Shanglin Zhou , Scott Weitze , Jiaxin Li , Sahidul Islam , Tong Geng , Ang Li , Wei Zhang , Minghu Song , Mimi Xie , Hang Liu , Caiwen Ding

In robotics, deep learning (DL) methods are used more and more widely, but their general inability to provide reliable confidence estimates will ultimately lead to fragile and unreliable systems. This impedes the potential deployments of DL…

Robotics · Computer Science 2020-11-02 Matthias Humt , Jongseok Lee , Rudolph Triebel

A surge in artificial intelligence and autonomous technologies have increased the demand toward enhanced edge-processing capabilities. Computational complexity and size of state-of-the-art Deep Neural Networks (DNNs) are rising…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-05-12 Rawan Naous , Lazar Supic , Yoonhwan Kang , Ranko Sredojevic , Anish Singhani , Vladimir Stojanovic

Bayesian Optimisation (BO) refers to a class of methods for global optimisation of a function $f$ which is only accessible via point evaluations. It is typically used in settings where $f$ is expensive to evaluate. A common use case for BO…

Machine Learning · Computer Science 2019-03-19 Kirthevasan Kandasamy , Willie Neiswanger , Jeff Schneider , Barnabas Poczos , Eric Xing
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