Single-wavelength X-ray anomalous diffraction (SAD) is a frequently employed technique to solve the phase problem in X-ray crystallography. The precision and accuracy of recovered anomalous differences are crucial for determining the correct phases. Continuous rotation (CR) and inverse-beam geometry (IBG) anomalous data collection methods have been performed on tetragonal lysozyme and monoclinic survivin crystals and analysis carried out of how correlated the pairs of Friedel's reflections are after scaling. A multivariate Bayesian model for estimating anomalous differences was tested, which takes into account the correlation between pairs of intensity observations and incorporates the a priori knowledge about the positivity of intensity. The CR and IBG data collection methods resulted in positive correlation between I(+) and I(−) observations, indicating that the anomalous difference dominates between these observations, rather than different levels of radiation damage. An alternative pairing method based on near simultaneously observed Bijvoet's pairs displayed lower correlation and it was unsuccessful for recovering useful anomalous differences when using the multivariate Bayesian model. In contrast, multivariate Bayesian treatment of Friedel's pairs improved the initial phasing of the two tested crystal systems and the two data collection methods.

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Scientists at NTU Singapore, MIT and Brown University have developed new approaches that significantly improve the accuracy of an important material testing technique by harnessing the power of machine learning....

Would you like to know what your customers, users, contacts, or relatives really think? NuWave Solutions' Executive Vice President, Brian Frutchey, leads participants as they build their own sentiment analysis application with KNIME Analytics.

With many organizations having machine learning models running in production, some are discovering that inefficiencies exists in the first step of the process: feature definition and extraction. Robust feature management is now being realized as a key missing part of the ML stack, and improving it by applying standard software development practices is gaining attention.

If you find yourself quarantined and looking for free learning materials in the way of books and courses to sharpen your data science and machine learning skills, this collection of articles I have previously written curating such things is for you.

An introduction to the DBSCAN algorithm and its Implementation in Python.

Also: Should Data Scientists Model COVID19 and other Biological Events; 5 Papers on CNNs Every Data Scientist Should Read; 24 Best (and Free) Books To Understand Machine Learning; Mathematics for Machine Learning: The Free eBook; Find Your Perfect Fit: A Quick Guide for Job Roles in the Data World

Check out these 10 books that can help data scientists and aspiring data scientists learn machine learning today.

Also: Should Data Scientists Model COVID19 and other Biological Events; Learning during a crisis (Data Science 90-day learning challenge); Data Transformation: Standardization vs Normalization; DBSCAN Clustering Algorithm in Machine Learning; Find Your Perfect Fit: A Quick Guide for Job Roles in the Data World

Also: A Concise Course in Statistical Inference: The Free eBook; ML Ops: Machine Learning as an Engineering Discipline; Learning during a crisis (#DataScience 90-day learning challenge) ; Free High-Quality Machine Learning & Data Science Books & Courses: Quarantine Edition

This article demonstrates how building a smarter API serving Deep Learning models minimizes the response time.

So, you are interested in machine learning? Here is your complete learning path to start your career in the field.

Train a "blackbox" GBM model on a real dataset and make it explainable with SHAP.

What are Some 'Advanced ' #AI and #MachineLearning Online Courses?; 24 Best (and Free) Books To Understand Machine Learning; Top 5 must-have #DataScience skills for 2020

Check out this comprehensive guide to model optimization techniques.

As can be common in many technical fields, the landscape of specialized roles is evolving quickly. With more people learning at least a little machine learning, this could eventually become a common skill set for every software engineer.

Also: Introducing MIDAS: A New Baseline for Anomaly Detection in Graphs; The Super Duper NLP Repo: 100 Ready-to-Run Colab Notebooks; Five Cool Python Libraries for Data Science.

Both AI and ML are touted to give businesses the edge they need, improve efficiencies, make sales and marketing better and even help in critical HR functions.

“Our government believes artificial intelligence, in different forms, can help us achieve the $5 trillion benchmark over the next five years, but also help us do it effectively and efficiently,” Goyal said while inaugurating the NSE Knowledge Hub here. The hub is an AI-powered learning ecosystem for the banking, financial services and insurance sector.

David Rohde points us to this new seminar series that has the following description: Machine learning is changing the world we live in at a break neck pace. From image recognition and generation, to the deployment of recommender systems, it seems to be breaking new ground constantly and influencing almost every aspect of our lives. […]

Differential machine learning (ML) extends supervised learning, with models trained on examples of not only inputs and labels, but also differentials of labels to inputs.

Differential ML is applicable in all situations where high quality first order derivatives wrt training inputs are available. In the context of financial Derivatives risk management, pathwise differentials are efficiently computed with automatic adjoint differentiation (AAD). Differential ML, combined with AAD, provides extremely effective pricing and risk approximations. We can produce fast pricing analytics in models too complex for closed form solutions, extract the risk factors of complex transactions and trading books, and effectively compute risk management metrics like reports across a large number of scenarios, backtesting and simulation of hedge strategies, or capital regulations.

The article focuses on differential deep learning (DL), arguably the strongest application. Standard DL trains neural networks (NN) on punctual examples, whereas differential DL teaches them the shape of the target function, resulting in vastly improved performance, illustrated with a number of numerical examples, both idealized and real world. In the online appendices, we apply differential learning to other ML models, like classic regression or principal component analysis (PCA), with equally remarkable results.

This paper is meant to be read in conjunction with its companion GitHub repo https://github.com/differential-machine-learning, where we posted a TensorFlow implementation, tested on Google Colab, along with examples from the article and additional ones. We also posted appendices covering many practical implementation details not covered in the paper, mathematical proofs, application to ML models besides neural networks and extensions necessary for a reliable implementation in production.

We develop a supervised machine learning algorithm that is able to learn topological phases for finite condensed matter systems from bulk data in real lattice space. The algorithm employs diagonalization in real space together with any supervised learning algorithm to learn topological phases through an eigenvector ensembling procedure. We combine our algorithm with decision trees and random forests to successfully recover topological phase diagrams of Su-Schrieffer-Heeger (SSH) models from bulk lattice data in real space and show how the Shannon information entropy of ensembles of lattice eigenvectors can be used to retrieve a signal detailing how topological information is distributed in the bulk. The discovery of Shannon information entropy signals associated with topological phase transitions from the analysis of data from several thousand SSH systems illustrates how model explainability in machine learning can advance the research of exotic quantum materials with properties that may power future technological applications such as qubit engineering for quantum computing.

Hypertension is a potentially unsafe health ailment, which can be indicated directly from the Blood pressure (BP). Hypertension always leads to other health complications. Continuous monitoring of BP is very important; however, cuff-based BP measurements are discrete and uncomfortable to the user. To address this need, a cuff-less, continuous and a non-invasive BP measurement system is proposed using Photoplethysmogram (PPG) signal and demographic features using machine learning (ML) algorithms. PPG signals were acquired from 219 subjects, which undergo pre-processing and feature extraction steps. Time, frequency and time-frequency domain features were extracted from the PPG and their derivative signals. Feature selection techniques were used to reduce the computational complexity and to decrease the chance of over-fitting the ML algorithms. The features were then used to train and evaluate ML algorithms. The best regression models were selected for Systolic BP (SBP) and Diastolic BP (DBP) estimation individually. Gaussian Process Regression (GPR) along with ReliefF feature selection algorithm outperforms other algorithms in estimating SBP and DBP with a root-mean-square error (RMSE) of 6.74 and 3.59 respectively. This ML model can be implemented in hardware systems to continuously monitor BP and avoid any critical health conditions due to sudden changes.

Narrowband internet-of-things (NB-IoT) is a competitive 5G technology for massive machine-type communication scenarios, but meanwhile introduces narrowband interference (NBI) to existing broadband transmission such as the long term evolution (LTE) systems in enhanced mobile broadband (eMBB) scenarios. In order to facilitate the harmonic and fair coexistence in wireless heterogeneous networks, it is important to eliminate NB-IoT interference to LTE systems. In this paper, a novel sparse machine learning based framework and a sparse combinatorial optimization problem is formulated for accurate NBI recovery, which can be efficiently solved using the proposed iterative sparse learning algorithm called sparse cross-entropy minimization (SCEM). To further improve the recovery accuracy and convergence rate, regularization is introduced to the loss function in the enhanced algorithm called regularized SCEM. Moreover, exploiting the spatial correlation of NBI, the framework is extended to multiple-input multiple-output systems. Simulation results demonstrate that the proposed methods are effective in eliminating NB-IoT interference to LTE systems, and significantly outperform the state-of-the-art methods.

Recently, the Edge Computing paradigm has gained significant popularity both in industry and academia. Researchers now increasingly target to improve performance and reduce energy consumption of such devices. Some recent efforts focus on using emerging RRAM technologies for improving energy efficiency, thanks to their no leakage property and high integration density. As the complexity and dynamism of applications supported by such devices escalate, it has become difficult to maintain ideal performance by static RRAM controllers. Machine Learning provides a promising solution for this, and hence, this work focuses on extending such controllers to allow dynamic parameter updates. In this work we propose an Adaptive RRAM Variability-Aware Controller, AVAC, which periodically updates Wait Buffer and batch sizes using on-the-fly learning models and gradient ascent. AVAC allows Edge devices to adapt to different applications and their stages, to improve computation performance and reduce energy consumption. Simulations demonstrate that the proposed model can provide up to 29% increase in performance and 19% decrease in energy, compared to static controllers, using traces of real-life healthcare applications on a Raspberry-Pi based Edge deployment.

Part 5 of this tutorial series teaches you how to add machine learning to your data to help you extrapolate future orders.

Recent advancements in Machine Learning (ML) have taught us two main lessons: a large proportion of things that humans do can actually be automated, and that a substantial part of this automation can be done with minimal human supervision. One no longer needs to select features for models to use; in many cases people are … Continue reading Three Paper Thursday: Adversarial Machine Learning, Humans and everything in between →

If you’re looking to make a career move from programmer to AI specialist, this is the ideal place to start. Based on Laurence Moroney's extremely successful AI courses, this introductory book provides a hands-on, code-first approach to help you build confidence while you learn key topics.You’ll understand how to implement the most common scenarios in machine learning, such as computer vision, natural language processing (NLP), and sequence modeling for web, mobile, cloud, and embedded runtimes.

If you’re training a machine learning model but aren’t sure how to put it into production, this book will get you there. Kubeflow provides a collection of cloud native tools for different stages of a model’s lifecycle, from data exploration, feature preparation, and model training to model serving. This guide helps data scientists build production-grade machine learning implementations with Kubeflow and shows data engineers how to make models scalable and reliable.

William Bao Bean, managing director of Chinaccelerator, explains how investments in artificial intelligence and machine learning are helping marketers improve user targeting and return on investment.

OBJECTIVE

We analyzed data from inpatients with diabetes admitted to a large university hospital to predict the risk of hypoglycemia through the use of machine learning algorithms.

OBJECTIVE

To construct and internally validate prediction models to estimate the risk of long-term end-organ complications and mortality in patients with type 2 diabetes and obesity that can be used to inform treatment decisions for patients and practitioners who are considering metabolic surgery.

When the data is distributed across multiple servers, lowering the communication cost between the servers (or workers) while solving the distributed learning problem is an important problem and is the focus of this paper. In particular, we propose a fast, and communication-efficient decentralized framework to solve the distributed machine learning (DML) problem. The proposed algorithm, Group Alternating Direction Method of Multipliers (GADMM) is based on the Alternating Direction Method of Multipliers (ADMM) framework. The key novelty in GADMM is that it solves the problem in a decentralized topology where at most half of the workers are competing for the limited communication resources at any given time. Moreover, each worker exchanges the locally trained model only with two neighboring workers, thereby training a global model with a lower amount of communication overhead in each exchange. We prove that GADMM converges to the optimal solution for convex loss functions, and numerically show that it converges faster and more communication-efficient than the state-of-the-art communication-efficient algorithms such as the Lazily Aggregated Gradient (LAG) and dual averaging, in linear and logistic regression tasks on synthetic and real datasets. Furthermore, we propose Dynamic GADMM (D-GADMM), a variant of GADMM, and prove its convergence under the time-varying network topology of the workers.

Supervised machine learning algorithms have seen spectacular advances and surpassed human level performance in a wide range of specific applications. However, using complex ensemble or deep learning algorithms typically results in black box models, where the path leading to individual predictions cannot be followed in detail. In order to address this issue, we propose the novel "Cyclic Boosting" machine learning algorithm, which allows to efficiently perform accurate regression and classification tasks while at the same time allowing a detailed understanding of how each individual prediction was made.

Aryeh Kontorovich, Iosif Pinelis.

Source: The Annals of Statistics, Volume 47, Number 5, 2822--2854.

Abstract:
We provide an exact nonasymptotic lower bound on the minimax expected excess risk (EER) in the agnostic probably-approximately-correct (PAC) machine learning classification model and identify minimax learning algorithms as certain maximally symmetric and minimally randomized “voting” procedures. Based on this result, an exact asymptotic lower bound on the minimax EER is provided. This bound is of the simple form $c_{infty}/sqrt{ u}$ as $ u oinfty$, where $c_{infty}=0.16997dots$ is a universal constant, $ u=m/d$, $m$ is the size of the training sample and $d$ is the Vapnik–Chervonenkis dimension of the hypothesis class. It is shown that the differences between these asymptotic and nonasymptotic bounds, as well as the differences between these two bounds and the maximum EER of any learning algorithms that minimize the empirical risk, are asymptotically negligible, and all these differences are due to ties in the mentioned “voting” procedures. A few easy to compute nonasymptotic lower bounds on the minimax EER are also obtained, which are shown to be close to the exact asymptotic lower bound $c_{infty}/sqrt{ u}$ even for rather small values of the ratio $ u=m/d$. As an application of these results, we substantially improve existing lower bounds on the tail probability of the excess risk. Among the tools used are Bayes estimation and apparently new identities and inequalities for binomial distributions.