Goto

Collaborating Authors

 Education


Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations

arXiv.org Artificial Intelligence

Enhanced sampling methods are indispensable in computational physics and chemistry, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space of dynamical systems due to the sampling problem. A class of such enhanced sampling methods works by identifying a few slow degrees of freedom, termed collective variables (CVs), and enhancing the sampling along these CVs. Selecting CVs to analyze and drive the sampling is not trivial and often relies on physical and chemical intuition. Despite routinely circumventing this issue using manifold learning to estimate CVs directly from standard simulations, such methods cannot provide mappings to a low-dimensional manifold from enhanced sampling simulations as the geometry and density of the learned manifold are biased. Here, we address this crucial issue and provide a general reweighting framework based on anisotropic diffusion maps for manifold learning that takes into account that the learning data set is sampled from a biased probability distribution. We consider manifold learning methods based on constructing a Markov chain describing transition probabilities between high-dimensional samples. We show that our framework reverts the biasing effect yielding CVs that correctly describe the equilibrium density. This advancement enables the construction of low-dimensional CVs using manifold learning directly from data generated by enhanced sampling simulations. We call our framework reweighted manifold learning. We show that it can be used in many manifold learning techniques on data from both standard and enhanced sampling simulations.


ML and e-Learning!

#artificialintelligence

But if you judge a fish by its ability to climb a tree, it will live its whole life believing that it is stupid. In traditional learning, our education system treats every student at the same level. It considers everyone with the same ability to learn, grasp, perform, study, etc. But that's not the actual case, because everyone has a different ability. There are many benefits to e-learning over teaching in the classroom.


There Are Too Few Women in Computer Science and Engineering

#artificialintelligence

Only 20 percent of computer science and 22 percent of engineering undergraduate degrees in the U.S. go to women. Women are missing out on flexible, lucrative and high-status careers. Society is also missing out on the potential contributions they would make to these fields, such as designing smartphone conversational agents that suggest help not only for heart attack symptoms but also for indicators of domestic violence. Identifying the factors causing women's underrepresentation is the first step towards remedies. Why are so few women entering these fields?


How Do Kids View Smart Speakers and AI in the Classroom? 6 Things to Know

#artificialintelligence

Alexa, how many whiskers does a cat have? Alexa, do my parents still love me? Devices fueled by artificial intelligence--including smart speakers--have been making inroads into classrooms for several years now. But how do students actually perceive these machines? And how are they using them in response to that perception?


MIT Schwarzman College of Computing unveils Break Through Tech AI

#artificialintelligence

Aimed at driving diversity and inclusion in artificial intelligence, the MIT Stephen A. Schwarzman College of Computing is launching Break Through Tech AI, a new program to bridge the talent gap for women and underrepresented genders in AI positions in industry. Break Through Tech AI will provide skills-based training, industry-relevant portfolios, and mentoring to qualified undergraduate students in the Greater Boston area in order to position them more competitively for careers in data science, machine learning, and artificial intelligence. The free, 18-month program will also provide each student with a stipend for participation to lower the barrier for those typically unable to engage in an unpaid, extra-curricular educational opportunity. "Helping position students from diverse backgrounds to succeed in fields such as data science, machine learning, and artificial intelligence is critical for our society's future," says Daniel Huttenlocher, dean of the MIT Schwarzman College of Computing and Henry Ellis Warren Professor of Electrical Engineering and Computer Science. "We look forward to working with students from across the Greater Boston area to provide them with skills and mentorship to help them find careers in this competitive and growing industry."


Artificial intelligence takes over school security at PPS

#artificialintelligence

PEORIA (Heart of Illinois ABC) - There will be a new eye in the sky this year at Peoria public schools. Tuesday night, the school board approved a new system designed to protect students, without being noticed. It's called'Intellisee,' an artificial intelligence that learns over time with the goal of protecting kids as they go about their day at school. It then alerts the appropriate staff to handle whatever problem it detects. If it's a puddle, a custodian will receive a message to clean it up.


Pursuing a Passion for Machine Learning

#artificialintelligence

This story is part of an ongoing series in which we highlight graduates of Capital One's Machine Learning Engineering Training Program (MLETP), a 160-hour program that teaches software and data engineers the skills necessary to work in machine learning and AI. Pradeep picked up the value of continuous learning from his mother, who earned multiple master's degrees and a Ph.D. in education. So after becoming a software engineer at Capital One in 2017, he was quick to embed himself in our culture of growth and development. Pradeep followed his curiosity and began developing skills in machine learning, a form of artificial intelligence that can automatically predict outcomes. Capital One uses machine learning to create real-time and intelligent customer experiences that bring simplicity to banking.


The Times view on artificial intelligence: Computer Literacy

#artificialintelligence

In Stanley Kubrick's film 2001: A Space Odyssey, the on-board computer known as HAL calmly tells the astronaut Dave Bowman that it will not open the doors of the space pod to allow him entry. HAL has mistakenly identified Dave as a threat to the mission and addresses him directly, idiomatically and politely. It is a terrifying scene, symbolising the power of artificially intelligent machines that have acquired language and reason. New research suggests to some that the ability of humans to speak to machines may soon arrive. Linguists researching Jingulu, an aboriginal language spoken by just a few people in the Australian outback, suggest that it has certain characteristics that make it easily translatable into AI commands.


Machine Learning for Data Analysis: Regression & Forecasting

#artificialintelligence

You'll see how regression analysis can be used to estimate property prices, forecast seasonal trends, predict sales for a new product launch, and even measure This course makes data science approachable to everyday people, and is designed to demystify powerful Machine Learning tools & techniques without trying to teach you a coding language at the same time. Instead, we'll use familiar, user-friendly tools like Microsoft Excel to break down complex topics and help you understand exactly HOW and WHY machine learning works before you dive into programming languages like Python or R. Unlike most Data Science and Machine Learning courses, you won't write a SINGLE LINE of code. In this Part 3 course, we'll start by introducing core building blocks like linear relationships and least squared error, then show you how these concepts can be applied to univariate, multivariate, and non-linear regression models. From there we'll review common diagnostic metrics like R-squared, mean error, F-significance, and P-Values, along with important concepts like homoscedasticity and multicollinearity. Last but not least we'll dive into time-series forecasting, and explore powerful techniques for identifying seasonality, predicting nonlinear trends, and measuring the impact of key business decisions using intervention analysis: Throughout the course we'll introduce hands-on case studies to solidify key concepts and tie them back to real world scenarios.


Construction of a new automatic grading system for jaw bone mineral density level based on …

#artificialintelligence

To develop and verify an automatic classification method using artificial intelligence deep learning to determine the bone mineral density level …