Engineering Physics, Chemistry and Biology

Unit I: Physics (18PCB101J)

• Dr. Saurabh Ghosh

Assistant Professor (Research Track)
• Functional Materials by Design Group
• Group Webpage: https://www.saurabhghoshfmd.com/
• Department of Physics and Nanotechnology
• & SRM Research Institute
• Room 721, Raman Research Park,
• SRM Institute of Science and Technology ,
• Chennai, Kattankulathur - 603 203, Tamil Nadu, India
• Email: saurabhs@srmist.edu.in
• Artificial Intelligence (AI) is a broad field of science whose main objective is to make
machines smarter. This means that machines are constructed so that they behave
intelligently as humans do.

• Common real-life AI examples are self-driving cars, smartphones, and computer

games.
 Machine Learning: Cornerstone of AI

• Artificial Intelligence is a broad field of science whose main objective is to make

machines smarter. A fundamental subject of AI is machine learning (ML).
• Machine learning implements the ability to learn from experience, i.e. observational
data in hand.
• This is what makes machines intelligent since learning is at the core of intelligence.
When a machine is fed with data, it first inspects it and extracts corresponding
features (useful information).
• It then builds a model that is responsible for inferring new predictions based on those
extracted features.
• Hence, the emphasis of machine learning is on constructing computer algorithms
automatically without being explicitly programmed. This means that the computer will
come up with its own program rather than having humans intervene in programming it
directly.
• Applications of ML techniques often create more accurate results in comparison to
those of direct programming meets with statistics, mathematics, physics, and
theoretical computer science over a wide range of applications.
• Some of these real-life applications where ML is implemented include face detection,
speech recognition, classification, medical diagnosis, prediction, and regression.
Machine Learning
§ A branch of artificial intelligence, concerned with the
design and development of algorithms that allow
computers to evolve behaviours based on empirical data
§ As intelligence requires knowledge, it is necessary for the
computers to acquire knowledge.
§ ML algorithm that iteratively learn from the data and
allows computers to find hidden insights without being
explicitly programed where to look

Traditional Programming Machine Learning

Predictions
Or
Or, Model Descriptors
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 Applications of Artificial
Intelligence through Machine
Learning from Day-to-Day Life

• Virtual Personal Assistants

• Online Customer Support
• Traffic Prediction
• Video Surveillance
• Social Media Services
• People You May Know
• Face Recognition
• Similar Pins
• Email & Spam Malware
Filtering
• Search Engine
• Product Recommendation
• Many more …………………..

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 Machine Learning in Materials Science
Why we need Machine Learning in Materials Science ?
§ Every technology is intimately related to a particular materials set .. Si based information and
communication technology; Li-ion based battery .. Cu for electrical industry ..
§ Once a material is chosen it gets locked because of the investment made
§ The initial choice of a material is absolutory crucial for long lasting development and to get refund of
the investment made
§ Discovery of new materials when needed à Experimental approach gives best reliability but
expensive and takes huge time for discovery of new materials à Computational approach based on
first-principles calculations are cost effective but has limitations over methodology

Approach
Experimental Product
and/or
Computational

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Ref: [1] Stefano Curtarolo et. al., Nature Materials 12, 3568 (2013); [2] Yue Liu et. al. J. Materiomics 159 3, 159 (2017)
 Machine Learning in Materials Science
How effectively we can use Machine Learning in Materials Science ?

Illustration of basic Working Principle

Prediction
Evaluation
First-principles
(DFT, MD, MC)
Experiments

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Machine Learning in Materials Science

Regression
Probability Estimation Machine § Support Vector Regression
§ Expectation Maximization Learning § Artificial Neural Network
§ Native Bays Algorithms § Logistic Regression
§ Kernel Ridge Regression
in
Materials § Multiple Linear Network
Science

Classification & Clustering

Decision Tree
New Material K-Nearest Neighbors
New or Enhances Properties

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Machine Learning in Materials Science

Ref: [1] Bishop CM. Pattern recognition and machine

learning. New York: Springer; 2007.
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Machine learning in Materials Science : Band Gap Prediction

G. Pilania et. al, Scientific Report

6, 19375 (2016)

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Artificial Intelligence has begun to make its mark in the fields of science, including physics, to solve
some of the greatest problems that are otherwise difficult, time-consuming, or even impossible for
humans. This article lists some of the application areas in physics where artificial intelligence has
been largely explored.

Statistical Physics: Bose-Einstein condensate, the experiment for which a Nobel Prize was won in
2001, was repeated in 2016, but this time with the aid of AI. The research team cooled the gas to
around 1 microkelvin and gave the control of the lasers to the AI system which was supposed to cool
the trapped gas to orders of nanokelvin. The AI could do the whole experiment in a span of less than
an hour.

The condensate is extremely sensitive to disturbances so they can make precise measurements like
gravity and applications like developing optical lattice is possible. This was first predicted theoretically
by Indian physicist Satyendra Nath Bose
Astrophysics: Gravitational Waves, another Nobel prize winner, is one the most recent
biggest discovery in the area of Astrophysics. Studies have been going on find out
more Gravitational Wave signatures using AI, via deep learning algorithms.

Bending of light due to gravity called gravitational lensing can also be found out using
neural networks. Researches have designed convolution neural networks, capable of
analysing images. This architecture had presented 761 candidates for gravitational
lensing. This research can also answer questions on one of the most mystifying
phenomena of dark matter.
Nuclear Physics: Neural networks are also capable of representing ground state wavefunctions.
Machine learning tools used in condensed matter and statistical physics to implement various
algorithms.

Using AI algorithms such as artificial neural networks and support vector machines, models have
been developed with nuclear physics properties like atomic mass number, neutron separation
energies, ground state spin and parities, neutron capture rates, branching probabilities in different
decay channels and beta-decay half lives, to determine the properties of exotic and halo nuclear
systems. Neural networks have also helped in identifying electrons and in determining heavy quarks.

Quantum Mechanics: Schrodinger’s equation, to find the ground state energy, which is the lowest
possible energy of a particle in a one-dimensional box, can be solved with deep learning. Quantum
state is a wavefunction showing the probability of what is most probable state that the particle can be
found in. Quantum computers are another breakthrough that the Physics and AI have been able to
achieve together, bringing into the world the most powerful computers ever.
Cond Mat. arXiV:1905.01023v1