机器学习课程链接

文章文字来源于一篇名为“Machine learning for molecular and materials science”的文章

One of the most exciting aspects of machine-learning techniques is

their potential to democratize molecular and materials modelling

by reducing the computer power and prior knowledge required for

entry. Just as Pople’s Gaussian software made quantum chemistry

more accessible to a generation of experimental chemists,

machine-learning approaches, if developed and implemented

correctly, can broaden the routine application of computer

models by non-specialists. The accessibility of machine-learning

technology relies on three factors: open data, open software

and open education. There is an increasing drive for open data

within the physical sciences, with an ideal best practice outlined

recently. Some of the open software being developed is listed

in Table 2. There are also many excellent open education resources

available, such as massive open online courses (MOOCs).

fast.ai (http://www.fast.ai) is a course that is “making neural nets

uncool again” by making them accessible to a wider community of

researchers. One of the advantages of this course is that users start

to build working machine-learning models almost immediately.

However, it is not for absolute beginners, requiring a working

knowledge of computer programming and high-school-level

mathematics.

DataCamp (https://www.datacamp.com) offers an excellent

introduction to coding for data-driven science and covers many

practical analysis tools relevant to chemical datasets. This course

features interactive environments for developing and testing code

and is suitable for non-coders because it teaches Python at the

same time as machine learning.

Academic MOOCs are useful courses for those wishing to get

more involved with the theory and principles of artificial intelligence

and machine learning, as well as the practice. The Stanford MOOC

(https://www.coursera.org/learn/machine-learning) is popular,

with excellent alternatives available from sources such as https://

www.edx.org (see, for example, ‘Learning from data (introductory

machine learning)’) and https://www.udemy.com (search for

‘Machine learning A–Z’). The underlying mathematics is the topic of

a course from Imperial College London (https://www.coursera.org/

specializations/mathematics-machine-learning).

Many machine-learning professionals run informative blogs

and podcasts that deal with specific aspects of machine-learning

practice. These are useful resources for general interest as well as

for broadening and deepening knowledge. There are too many

to provide an exhaustive list here, but we recommend https://

machinelearningmastery.com and http://lineardigressions.com as

a starting point.