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Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two…

机器学习 · 计算机科学 2026-05-13 Ziwei Xie

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…

分布式、并行与集群计算 · 计算机科学 2020-04-23 Ye Yu , Yingmin Li , Shuai Che , Niraj K. Jha , Weifeng Zhang

We propose a method to incrementally learn an embedding space over the domain of network architectures, to enable the careful selection of architectures for evaluation during compressed architecture search. Given a teacher network, we…

计算机视觉与模式识别 · 计算机科学 2019-04-26 Shengcao Cao , Xiaofang Wang , Kris M. Kitani

Deep learning has recently demonstrated its ability to rival the human brain for visual object recognition. As datasets get larger, a natural question to ask is if existing deep learning architectures can be extended to handle the 50+K…

机器学习 · 计算机科学 2020-08-04 Sumanth Chennupati , Sai Nooka , Shagan Sah , Raymond W Ptucha

We utilize classical facts from topology to show that the classification problem in machine learning is always solvable under very mild conditions. Furthermore, we show that a softmax classification network acts on an input topological…

机器学习 · 计算机科学 2021-06-22 Mustafa Hajij , Kyle Istvan

Machine learning algorithms have made remarkable achievements in the field of artificial intelligence. However, most machine learning algorithms are sensitive to the hyper-parameters. Manually optimizing the hyper-parameters is a common…

机器学习 · 计算机科学 2020-03-05 Bozhou Chen , Kaixin Zhang , Longshen Ou , Chenmin Ba , Hongzhi Wang , Chunnan Wang

The design of compact deep neural networks is a crucial task to enable widespread adoption of deep neural networks in the real-world, particularly for edge and mobile scenarios. Due to the time-consuming and challenging nature of manually…

神经与进化计算 · 计算机科学 2019-10-16 Mohammad Javad Shafiee , Andrew Hryniowski , Francis Li , Zhong Qiu Lin , Alexander Wong

Machine learning has enabled significant benefits in diverse fields, but, with a few exceptions, has had limited impact on computer architecture. Recent work, however, has explored broader applicability for design, optimization, and…

硬件体系结构 · 计算机科学 2019-09-30 Drew D. Penney , Lizhong Chen

Almost all neural architecture search methods are evaluated in terms of performance (i.e. test accuracy) of the model structures that it finds. Should it be the only metric for a good autoML approach? To examine aspects beyond performance,…

机器学习 · 计算机科学 2020-03-04 Stefano Alletto , Shenyang Huang , Vincent Francois-Lavet , Yohei Nakata , Guillaume Rabusseau

Current deep learning models are mostly build upon neural networks, i.e., multiple layers of parameterized differentiable nonlinear modules that can be trained by backpropagation. In this paper, we explore the possibility of building deep…

机器学习 · 计算机科学 2020-07-07 Zhi-Hua Zhou , Ji Feng

Neural networks are powerful models that have a remarkable ability to extract patterns that are too complex to be noticed by humans or other machine learning models. Neural networks are the first class of models that can train end-to-end…

机器学习 · 计算机科学 2021-08-05 Ibrahim Alshubaily

Neural networks and deep learning are changing the way that artificial intelligence is being done. Efficiently choosing a suitable network architecture and fine-tune its hyper-parameters for a specific dataset is a time-consuming task given…

机器学习 · 计算机科学 2019-05-16 David Laredo , Yulin Qin , Oliver Schütze , Jian-Qiao Sun

Decision tree learning is a widely used approach in machine learning, favoured in applications that require concise and interpretable models. Heuristic methods are traditionally used to quickly produce models with reasonably high accuracy.…

Deep learning applies hierarchical layers of hidden variables to construct nonlinear high dimensional predictors. Our goal is to develop and train deep learning architectures for spatio-temporal modeling. Training a deep architecture is…

机器学习 · 统计学 2018-05-08 Matthew F. Dixon , Nicholas G. Polson , Vadim O. Sokolov

Machine learning research has advanced in multiple aspects, including model structures and learning methods. The effort to automate such research, known as AutoML, has also made significant progress. However, this progress has largely…

机器学习 · 计算机科学 2020-07-01 Esteban Real , Chen Liang , David R. So , Quoc V. Le

Recently, there has been a surge of interest in combining deep learning models with reasoning in order to handle more sophisticated learning tasks. In many cases, a reasoning task can be solved by an iterative algorithm. This algorithm is…

机器学习 · 计算机科学 2020-11-02 Xinshi Chen , Yufei Zhang , Christoph Reisinger , Le Song

Hyperparameters are configuration variables controlling the behavior of machine learning algorithms. They are ubiquitous in machine learning and artificial intelligence and the choice of their values determines the effectiveness of systems…

Given their increasing size and complexity, the need for efficient execution of deep neural networks has become increasingly pressing in the design of heterogeneous High-Performance Computing (HPC) and edge platforms, leading to a wide…

Automated machine learning (AutoML) aims for constructing machine learning (ML) pipelines automatically. Many studies have investigated efficient methods for algorithm selection and hyperparameter optimization. However, methods for ML…

机器学习 · 计算机科学 2021-01-27 Marc-André Zöller , Tien-Dung Nguyen , Marco F. Huber

Despite tremendous progress in developing deep-learning-based weather forecasting systems, their design space, including the impact of different design choices, is yet to be well understood. This paper aims to fill this knowledge gap by…