Many real-world problems involve datasets where only some of the data is labeled and the rest is unlabeled. In this post, we discuss our implementation of semi-supervised learning for predicting the synthesizability of theoretical materials. When we think about the materials that will enable next-generation technologies, it's probably not the case that there is one ultimate material waiting to be found that will solve all our problems. The problems we need to solve (producing and storing clean energy, mitigating climate change, desalinating water, etc.) are complex and varied. Even zooming in to the next-generation of electronics, computers, and nanotechnology, there probably isn't a single perfect material to exploit in the same way that silicon has been used in all our familiar devices.

It is now a well-established fact that data science jobs are on an exponential rise. With companies trying to analyze data to gain valuable insights, understand trends and more, data science roles, like data scientists, data engineers, data analysts, analytics specialists, consultants, insights analysts, and more are in high demand than ever. No wonder that Harvard Business Review has named it as the sexiest job of the 21st Century in October 2012. However, preparing for a data science job position can be intimidating. While it is often suggested that the key to crack such an interview is having technical preparation about technology and possessing technological aptitude.

Deep neural networks (DNNs) can learn accurately from large quantities of labeled input data, but DNNs sometimes fail to generalize to test data sampled from different input distributions. Unsupervised Deep Domain Adaptation (DDA) proves useful when no input labels are available, and distribution shifts are observed in the target domain (TD). Experiments are performed on seismic images of the F3 block 3D dataset from offshore Netherlands (source domain; SD) and Penobscot 3D survey data from Canada (target domain; TD). Three geological classes from SD and TD that have similar reflection patterns are considered. In the present study, an improved deep neural network architecture named EarthAdaptNet (EAN) is proposed to semantically segment the seismic images. We specifically use a transposed residual unit to replace the traditional dilated convolution in the decoder block. The EAN achieved a pixel-level accuracy >84% and an accuracy of ~70% for the minority classes, showing improved performance compared to existing architectures. In addition, we introduced the CORAL (Correlation Alignment) method to the EAN to create an unsupervised deep domain adaptation network (EAN-DDA) for the classification of seismic reflections fromF3 and Penobscot. Maximum class accuracy achieved was ~99% for class 2 of Penobscot with >50% overall accuracy. Taken together, EAN-DDA has the potential to classify target domain seismic facies classes with high accuracy.

So, what is cross validation? Recalling my post about model selection, where we saw that it may be necessary to split data into three different portions, one for training, one for validation (to choose among models) and eventually measure the true accuracy through the last data portion. This procedure is one viable way to choose the best among several models. Cross validation (CV) is not too different from this idea, but deals with the model training/validation in quite a smart way. For CV we use a larger combined training and validation data set, followed by a testing dataset.

For a large class of regularized models, leave-one-out cross-validation can be efficiently estimated with an approximate leave-one-out formula (ALO). We consider the problem of adjusting hyperparameters so as to optimize ALO. We derive efficient formulas to compute the gradient and hessian of ALO and show how to apply a second-order optimizer to find hyperparameters. We demonstrate the usefulness of the proposed approach by finding hyperparameters for regularized logistic regression and ridge regression on various real-world data sets.

Machine Learning interview questions is the essential part of Data Science interview and your path to becoming a Data Scientist. I've divided this guide to machine learning interview questions and answers into the categories so that you can more easily get to the information you need when it comes to machine learning questions. Supervised learning requires training using labelled data. For example, in order to do classification, which is a supervised learning task, you'll first need to label the data you'll use to train the model to classify data into your labelled groups. Unsupervised learning, in divergence, does not require labeling data explicitly.

Model interpretations are often used in practice to extract real world insights from machine learning models. These interpretations have a wide range of applications; they can be presented as business recommendations or used to evaluate model bias. It is vital for a data scientist to choose trustworthy interpretations to drive real world impact. Doing so requires an understanding of how the accuracy of a model impacts the quality of standard interpretation tools. In this paper, we will explore how a model's predictive accuracy affects interpretation quality. We propose two metrics to quantify the quality of an interpretation and design an experiment to test how these metrics vary with model accuracy. We find that for datasets that can be modeled accurately by a variety of methods, simpler methods yield higher quality interpretations. We also identify which interpretation method works the best for lower levels of model accuracy.

Sequence-based place recognition methods for all-weather navigation are well-known for producing state-of-the-art results under challenging day-night or summer-winter transitions. These systems, however, rely on complex handcrafted heuristics for sequential matching - which are applied on top of a pre-computed pairwise similarity matrix between reference and query image sequences of a single route - to further reduce false-positive rates compared to single-frame retrieval methods. As a result, performing multi-frame place recognition can be extremely slow for deployment on autonomous vehicles or evaluation on large datasets, and fail when using relatively short parameter values such as a sequence length of 2 frames. In this paper, we propose DeepSeqSLAM: a trainable CNN+RNN architecture for jointly learning visual and positional representations from a single monocular image sequence of a route. We demonstrate our approach on two large benchmark datasets, Nordland and Oxford RobotCar - recorded over 728 km and 10 km routes, respectively, each during 1 year with multiple seasons, weather, and lighting conditions. On Nordland, we compare our method to two state-of-the-art sequence-based methods across the entire route under summer-winter changes using a sequence length of 2 and show that our approach can get over 72% AUC compared to 27% AUC for Delta Descriptors and 2% AUC for SeqSLAM; while drastically reducing the deployment time from around 1 hour to 1 minute against both. The framework code and video are available at https://mchancan.github.io/deepseqslam

Money laundering is the crucial mechanism utilized by criminals to inject proceeds of crime to the financial system. The primary responsibility of the detection of suspicious activity related to money laundering is with the financial institutions. Most of the current systems in these institutions are rule-based and ineffective. The available data science-based anti-money laundering (AML) models in order to replace the existing rule-based systems work on customer relationship management (CRM) features and time characteristics of transaction behaviour. However, there is still a challenge on accuracy and problems around feature engineering due to thousands of possible features. Aiming to improve the detection performance of suspicious transaction monitoring systems for AML systems, in this article, we introduce a novel feature set based on time-frequency analysis, that makes use of 2-D representations of financial transactions. Random forest is utilized as a machine learning method, and simulated annealing is adopted for hyperparameter tuning. The designed algorithm is tested on real banking data, proving the efficacy of the results in practically relevant environments. It is shown that the time-frequency characteristics of suspicious and non-suspicious entities differentiate significantly, which would substantially improve the precision of data science-based transaction monitoring systems looking at only time-series transaction and CRM features.

Network topology identification (TI) is an essential function for distributed energy resources management systems (DERMS) to organize and operate widespread distributed energy resources (DERs). In this paper, discriminant analysis (DA) is deployed to develop a network TI function that relies only on the measurements available to DERMS. The propounded method is able to identify the network switching configuration, as well as the status of protective devices. Following, to improve the TI resiliency against the interruption of communication channels, a quadratic programming optimization approach is proposed to recover the missing signals. By deploying the propounded data recovery approach and Bayes' theorem together, a benchmark is developed afterward to identify anomalous measurements. This benchmark can make the TI function resilient against cyber-attacks. Having a low computational burden, this approach is fast-track and can be applied in real-time applications. Sensitivity analysis is performed to assess the contribution of different measurements and the impact of the system load type and loading level on the performance of the proposed approach.