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In recent years, a specific machine learning method called deep learning has gained huge attraction, as it has obtained astonishing results in broad applications such as pattern recognition, speech recognition, computer vision, and natural…

机器学习 · 计算机科学 2018-06-26 Seyed Sajad Mousavi , Michael Schukat , Enda Howley

Developing models with high interpretability and even deriving formulas to quantify relationships between biological data is an emerging need. We propose here a framework for ab initio derivation of sequence motifs and linear formula using…

定量方法 · 定量生物学 2022-08-23 Chengyu Liu , Wei Wang

Abstract Machine learning models, trained on data from ab initio quantum simulations, are yielding molecular dynamics potentials with unprecedented accuracy. One limiting factor is the quantity of available training data, which can be…

计算物理 · 物理学 2020-06-11 Justin S. Smith , Nicholas Lubbers , Aidan P. Thompson , Kipton Barros

In the era of smart manufacturing and Industry 4.0, the refining industry is evolving towards large-scale integration and flexible production systems. In response to these new demands, this paper presents a novel optimization framework for…

系统与控制 · 电气工程与系统科学 2025-04-14 Zhouchang Li , Runze Lin , Hongye Su , Lei Xie

Motivation: Tumor classification using Imaging Mass Spectrometry (IMS) data has a high potential for future applications in pathology. Due to the complexity and size of the data, automated feature extraction and classification steps are…

We present Neural Random Forest Imitation - a novel approach for transforming random forests into neural networks. Existing methods propose a direct mapping and produce very inefficient architectures. In this work, we introduce an imitation…

机器学习 · 计算机科学 2024-04-05 Christoph Reinders , Bodo Rosenhahn

Automatic Differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, without the need to explicitly add any additional functions.…

化学物理 · 物理学 2020-06-23 Teresa Tamayo-Mendoza , Christoph Kreisbeck , Roland Lindh , Alán Aspuru-Guzik

Reinforcement learning (RL) is a classical tool to solve network control or policy optimization problems in unknown environments. The original Q-learning suffers from performance and complexity challenges across very large networks. Herein,…

机器学习 · 计算机科学 2024-09-02 Talha Bozkus , Urbashi Mitra

Reinforcement learning has emerged as a promising methodology for training robot controllers. However, most results have been limited to simulation due to the need for a large number of samples and the lack of automated-yet-safe data…

机器人学 · 计算机科学 2018-03-29 Kendall Lowrey , Svetoslav Kolev , Jeremy Dao , Aravind Rajeswaran , Emanuel Todorov

Robots are good at performing repetitive tasks in modern manufacturing industries. However, robot motions are mostly planned and preprogrammed with a notable lack of adaptivity to task changes. Even for slightly changed tasks, the whole…

系统与控制 · 电气工程与系统科学 2022-07-04 Tian Yu , Qing Chang

Decision tree models, including random forests and gradient-boosted decision trees, are widely used in machine learning due to their high predictive performance. However, their complex structures often make them difficult to interpret,…

人工智能 · 计算机科学 2026-01-08 Akihiro Takemura , Masayuki Otani , Katsumi Inoue

The many ways in which machine and deep learning are transforming the analysis and simulation of data in particle physics are reviewed. The main methods based on boosted decision trees and various types of neural networks are introduced,…

数据分析、统计与概率 · 物理学 2020-05-07 Dimitri Bourilkov

As discussed in previous studies, the efficacy of evolutionary or reinforcement learning algorithms for continuous control optimization can be enhanced by including a neural module dedicated to feature extraction trained through…

机器学习 · 计算机科学 2021-06-09 Nicola Milano , Stefano Nolfi

Recent theoretical work on automatic differentiation (autodiff) has focused on characteristics such as correctness and efficiency while assuming that all derivatives are automatically generated by autodiff using program transformation, with…

编程语言 · 计算机科学 2024-08-15 Sam Estep

The human-like automatic deductive reasoning has always been one of the most challenging open problems in the interdiscipline of mathematics and artificial intelligence. This paper is the third in a series of our works. We built a…

人工智能 · 计算机科学 2024-02-16 Jia Zou , Xiaokai Zhang , Yiming He , Na Zhu , Tuo Leng

Reinforcement learning means learning a policy--a mapping of observations into actions--based on feedback from the environment. The learning can be viewed as browsing a set of policies while evaluating them by trial through interaction with…

机器学习 · 计算机科学 2017-05-25 Leonid Peshkin , Virginia Savova

The ability to handle single molecules as effectively as macroscopic building-blocks would enable the construction of complex supramolecular structures inaccessible to self-assembly. The fundamental challenges obstructing this goal are the…

介观与纳米尺度物理 · 物理学 2020-10-02 Philipp Leinen , Malte Esders , Kristof T. Schütt , Christian Wagner , Klaus-Robert Müller , F. Stefan Tautz

Learning to take actions based on observations is a core requirement for artificial agents to be able to be successful and robust at their task. Reinforcement Learning (RL) is a well-known technique for learning such policies. However,…

机器学习 · 计算机科学 2019-04-26 Ozan Çatal , Johannes Nauta , Tim Verbelen , Pieter Simoens , Bart Dhoedt

Data preparation, i.e. the process of transforming raw data into a format that can be used for training effective machine learning models, is a tedious and time-consuming task. For image data, preprocessing typically involves a sequence of…

计算机视觉与模式识别 · 计算机科学 2021-04-30 Tran Ngoc Minh , Mathieu Sinn , Hoang Thanh Lam , Martin Wistuba

The desire to make applications and machines more intelligent and the aspiration to enable their operation without human interaction have been driving innovations in neural networks, deep learning, and other machine learning techniques.…

机器学习 · 计算机科学 2022-09-30 Fadi AlMahamid , Katarina Grolinger