Is this another spam email? How does your email spam filter tell? Perhaps it uses a simple machine learning technique. In this post, we're going to learn about what it is and how we can create a Python logistic regression program. Unlike linear regression, logistic regression is used for classification rather than prediction along a continuous range.

The application of machine learning methods in quantum chemistry has enabled the study of numerous chemical phenomena, which are computationally intractable with traditional ab-initio methods. However, some quantum mechanical properties of molecules and materials depend on non-local electronic effects, which are often neglected due to the difficulty of modeling them efficiently. This work proposes a modified attention mechanism adapted to the underlying physics, which allows to recover the relevant non-local effects. Namely, we introduce spherical harmonic coordinates (SPHCs) to reflect higher-order geometric information for each atom in a molecule, enabling a non-local formulation of attention in the SPHC space. Our proposed model So3krates - a self-attention based message passing neural network - uncouples geometric information from atomic features, making them independently amenable to attention mechanisms. Thereby we construct spherical filters, which extend the concept of continuous filters in Euclidean space to SPHC space and serve as foundation for a spherical self-attention mechanism. We show that in contrast to other published methods, So3krates is able to describe non-local quantum mechanical effects over arbitrary length scales. Further, we find evidence that the inclusion of higher-order geometric correlations increases data efficiency and improves generalization. So3krates matches or exceeds state-of-the-art performance on popular benchmarks, notably, requiring a significantly lower number of parameters (0.25 - 0.4x) while at the same time giving a substantial speedup (6 - 14x for training and 2 - 11x for inference) compared to other models.

Bayesian Optimisation (BO) methods seek to find global optima of objective functions which are only available as a black-box or are expensive to evaluate. Such methods construct a surrogate model for the objective function, quantifying the uncertainty in that surrogate through Bayesian inference. Objective evaluations are sequentially determined by maximising an acquisition function at each step. However, this ancilliary optimisation problem can be highly non-trivial to solve, due to the non-convexity of the acquisition function, particularly in the case of batch Bayesian optimisation, where multiple points are selected in every step. In this work we reformulate batch BO as an optimisation problem over the space of probability measures. We construct a new acquisition function based on multipoint expected improvement which is convex over the space of probability measures. Practical schemes for solving this `inner' optimisation problem arise naturally as gradient flows of this objective function. We demonstrate the efficacy of this new method on different benchmark functions and compare with state-of-the-art batch BO methods.

In this study, we capitalized on a collective dataset repository of 57k accidents from 9 companies belonging to 3 domains and tested whether models trained on multiple datasets (generic models) predicted safety outcomes better than the company-specific models. We experimented with full generic models (trained on all data), per-domain generic models (construction, electric T&D, oil & gas), and with ensembles of generic and specific models. Results are very positive, with generic models outperforming the company-specific models in most cases while also generating finer-grained, hence more useful, forecasts. Successful generic models remove the needs for training company-specific models, saving a lot of time and resources, and give small companies, whose accident datasets are too limited to train their own models, access to safety outcome predictions. It may still however be advantageous to train specific models to get an extra boost in performance through ensembling with the generic models. Overall, by learning lessons from a pool of datasets whose accumulated experience far exceeds that of any single company, and making these lessons easily accessible in the form of simple forecasts, generic models tackle the holy grail of safety cross-organizational learning and dissemination in the construction industry.

In this paper, we present electromyography analysis of human activity - database 1 (EMAHA-DB1), a novel dataset of multi-channel surface electromyography (sEMG) signals to evaluate the activities of daily living (ADL). The dataset is acquired from 25 able-bodied subjects while performing 22 activities categorised according to functional arm activity behavioral system (FAABOS) (3 - full hand gestures, 6 - open/close office draw, 8 - grasping and holding of small office objects, 2 - flexion and extension of finger movements, 2 - writing and 1 - rest). The sEMG data is measured by a set of five Noraxon Ultium wireless sEMG sensors with Ag/Agcl electrodes placed on a human hand. The dataset is analyzed for hand activity recognition classification performance. The classification is performed using four state-ofthe-art machine learning classifiers, including Random Forest (RF), Fine K-Nearest Neighbour (KNN), Ensemble KNN (sKNN) and Support Vector Machine (SVM) with seven combinations of time domain and frequency domain feature sets. The state-of-theart classification accuracy on five FAABOS categories is 83:21% by using the SVM classifier with the third order polynomial kernel using energy feature and auto regressive feature set ensemble. The classification accuracy on 22 class hand activities is 75:39% by the same SVM classifier with the log moments in frequency domain (LMF) feature, modified LMF, time domain statistical (TDS) feature, spectral band powers (SBP), channel cross correlation and local binary patterns (LBP) set ensemble. The analysis depicts the technical challenges addressed by the dataset. The developed dataset can be used as a benchmark for various classification methods as well as for sEMG signal analysis corresponding to ADL and for the development of prosthetics and other wearable robotics.

Ensuring fairness is essential for every education system. Machine learning is increasingly supporting the education system and educational data science (EDS) domain, from decision support to educational activities and learning analytics. However, the machine learning-based decisions can be biased because the algorithms may generate the results based on students' protected attributes such as race or gender. Clustering is an important machine learning technique to explore student data in order to support the decision-maker, as well as support educational activities, such as group assignments. Therefore, ensuring high-quality clustering models along with satisfying fairness constraints are important requirements. This chapter comprehensively surveys clustering models and their fairness in EDS. We especially focus on investigating the fair clustering models applied in educational activities. It is believed that these models are practical tools for analyzing students' data and ensuring fairness in EDS.

Tiny Machine Learning (TinyML) is an upsurging research field that proposes to democratize the use of Machine Learning and Deep Learning on highly energy-efficient frugal Microcontroller Units. Considering the general assumption that TinyML can only run inference, growing interest in the domain has led to work that makes them reformable, i.e., solutions that permit models to improve once deployed. This work presents a survey on reformable TinyML solutions with the proposal of a novel taxonomy. Here, the suitability of each hierarchical layer for reformability is discussed. Furthermore, we explore the workflow of TinyML and analyze the identified deployment schemes, available tools and the scarcely available benchmarking tools. Finally, we discuss how reformable TinyML can impact a few selected industrial areas and discuss the challenges and future directions.

We show that the subgradient method converges only to local minimizers when applied to generic Lipschitz continuous and subdifferentially regular functions that are definable in an o-minimal structure. At a high level, the argument we present is appealingly transparent: we interpret the nonsmooth dynamics as an approximate Riemannian gradient method on a certain distinguished submanifold that captures the nonsmooth activity of the function. In the process, we develop new regularity conditions in nonsmooth analysis that parallel the stratification conditions of Whitney, Kuo, and Verdier and extend stochastic processes techniques of Pemantle.

Deep learning models are dominating almost all artificial intelligence tasks such as vision, text, and speech processing. Stochastic Gradient Descent (SGD) is the main tool for training such models, where the computations are usually performed in single-precision floating-point number format. The convergence of single-precision SGD is normally aligned with the theoretical results of real numbers since they exhibit negligible error. However, the numerical error increases when the computations are performed in low-precision number formats. This provides compelling reasons to study the SGD convergence adapted for low-precision computations. We present both deterministic and stochastic analysis of the SGD algorithm, obtaining bounds that show the effect of number format. Such bounds can provide guidelines as to how SGD convergence is affected when constraints render the possibility of performing high-precision computations remote.

We propose iterative algorithms to solve adversarial problems in a variety of supervised learning settings of interest. Our algorithms, which can be interpreted as suitable ascent-descent dynamics in Wasserstein spaces, take the form of a system of interacting particles. These interacting particle dynamics are shown to converge toward appropriate mean-field limit equations in certain large number of particles regimes. In turn, we prove that, under certain regularity assumptions, these mean-field equations converge, in the large time limit, toward approximate Nash equilibria of the original adversarial learning problems. We present results for nonconvex-nonconcave settings, as well as for nonconvex-concave ones. Numerical experiments illustrate our results.