Support Vector Machines
Predicting fermionic densities using a Projected Quantum Kernel method
Perciavalle, Francesco, Plastina, Francesco, Pisarra, Michele, Gullo, Nicola Lo
We use a support vector regressor based on a projected quantum kernel method to predict the density structure of 1D fermionic systems of interest in quantum chemistry and quantum matter. The kernel is built on with the observables of a quantum reservoir implementable with interacting Rydberg atoms. Training and test data of the fermionic system are generated using a Density Functional Theory approach. We test the performance of the method for several Hamiltonian parameters, finding a general common behavior of the error as a function of measurement time. At sufficiently large measurement times, we find that the method outperforms the classical linear kernel method and can be competitive with the radial basis function method.
Transfer Learning for Classification under Decision Rule Drift with Application to Optimal Individualized Treatment Rule Estimation
In this paper, we extend the transfer learning classification framework from regression function-based methods to decision rules. We propose a novel methodology for modeling posterior drift through Bayes decision rules. By exploiting the geometric transformation of the Bayes decision boundary, our method reformulates the problem as a low-dimensional empirical risk minimization problem. Under mild regularity conditions, we establish the consistency of our estimators and derive the risk bounds. Moreover, we illustrate the broad applicability of our method by adapting it to the estimation of optimal individualized treatment rules. Extensive simulation studies and analyses of real-world data further demonstrate both superior performance and robustness of our approach.
Non-invasive maturity assessment of iPSC-CMs based on optical maturity characteristics using interpretable AI
Scheurer, Fabian, Hammer, Alexander, Schubert, Mario, Steiner, Robert-Patrick, Gamm, Oliver, Guan, Kaomei, Sonntag, Frank, Malberg, Hagen, Schmidt, Martin
Human induced pluripotent stem cell-derived cardiomyocytes (iPSC-CMs) are an important resource for the identification of new therapeutic targets and cardioprotective drugs. After differentiation iPSC-CMs show an immature, fetal-like phenotype. Cultivation of iPSC-CMs in lipid-supplemented maturation medium (MM) strongly enhances their structural, metabolic and functional phenotype. Nevertheless, assessing iPSC-CM maturation state remains challenging as most methods are time consuming and go in line with cell damage or loss of the sample. To address this issue, we developed a non-invasive approach for automated classification of iPSC-CM maturity through interpretable artificial intelligence (AI)-based analysis of beat characteristics derived from video-based motion analysis. In a prospective study, we evaluated 230 video recordings of early-state, immature iPSC-CMs on day 21 after differentiation (d21) and more mature iPSC-CMs cultured in MM (d42, MM). For each recording, 10 features were extracted using Maia motion analysis software and entered into a support vector machine (SVM). The hyperparameters of the SVM were optimized in a grid search on 80 % of the data using 5-fold cross-validation. The optimized model achieved an accuracy of 99.5 $\pm$ 1.1 % on a hold-out test set. Shapley Additive Explanations (SHAP) identified displacement, relaxation-rise time and beating duration as the most relevant features for assessing maturity level. Our results suggest the use of non-invasive, optical motion analysis combined with AI-based methods as a tool to assess iPSC-CMs maturity and could be applied before performing functional readouts or drug testing. This may potentially reduce the variability and improve the reproducibility of experimental studies.
Who Wins the Race? (R Vs Python) - An Exploratory Study on Energy Consumption of Machine Learning Algorithms
Chattaraj, Rajrupa, Chimalakonda, Sridhar, Sharma, Vibhu Saujanya, Kaulgud, Vikrant
The utilization of Machine Learning (ML) in contemporary software systems is extensive and continually expanding. However, its usage is energy-intensive, contributing to increased carbon emissions and demanding significant resources. While numerous studies examine the performance and accuracy of ML, only a limited few focus on its environmental aspects, particularly energy consumption. In addition, despite emerging efforts to compare energy consumption across various programming languages for specific algorithms and tasks, there remains a gap specifically in comparing these languages for ML-based tasks. This paper aims to raise awareness of the energy costs associated with employing different programming languages for ML model training and inference. Through this empirical study, we measure and compare the energy consumption along with run-time performance of five regression and five classification tasks implemented in Python and R, the two most popular programming languages in this context. Our study results reveal a statistically significant difference in costs between the two languages in 95% of the cases examined. Furthermore, our analysis demonstrates that the choice of programming language can influence energy efficiency significantly, up to 99.16% during model training and up to 99.8% during inferences, for a given ML task.
Evaluating the Representation of Vowels in Wav2Vec Feature Extractor: A Layer-Wise Analysis Using MFCCs
De Cristofaro, Domenico, Vitale, Vincenzo Norman, Vietti, Alessandro
Automatic Speech Recognition has advanced with self-supervised learning, enabling feature extraction directly from raw audio. In Wav2Vec, a CNN first transforms audio into feature vectors before the transformer processes them. This study examines CNN-extracted information for monophthong vowels using the TIMIT corpus. We compare MFCCs, MFCCs with formants, and CNN activations by training SVM classifiers for front-back vowel identification, assessing their classification accuracy to evaluate phonetic representation.
Entanglement Detection with Quantum-inspired Kernels and SVMs
Martínez-Sabiote, Ana, Skotiniotis, Michalis, Bermejo-Vega, Jara J., Manzano, Daniel, Cano, Carlos
This work presents a machine learning approach based on support vector machines (SVMs) for quantum entanglement detection. Particularly, we focus in bipartite systems of dimensions 3x3, 4x4, and 5x5, where the positive partial transpose criterion (PPT) provides only partial characterization. Using SVMs with quantum-inspired kernels we develop a classification scheme that distinguishes between separable states, PPT-detectable entangled states, and entangled states that evade PPT detection. Our method achieves increasing accuracy with system dimension, reaching 80%, 90%, and nearly 100% for 3x3, 4x4, and 5x5 systems, respectively. Our results show that principal component analysis significantly enhances performance for small training sets. The study reveals important practical considerations regarding purity biases in the generation of data for this problem and examines the challenges of implementing these techniques on near-term quantum hardware. Our results establish machine learning as a powerful complement to traditional entanglement detection methods, particularly for higher-dimensional systems where conventional approaches become inadequate. The findings highlight key directions for future research, including hybrid quantum-classical implementations and improved data generation protocols to overcome current limitations.
Interpretable Kernels
Groenen, Patrick J. F., Greenacre, Michael
The use of kernels for nonlinear prediction is widespread in machine learning. They have been popularized in support vector machines and used in kernel ridge regression, amongst others. Kernel methods share three aspects. First, instead of the original matrix of predictor variables or features, each observation is mapped into an enlarged feature space. Second, a ridge penalty term is used to shrink the coefficients on the features in the enlarged feature space. Third, the solution is not obtained in this enlarged feature space, but through solving a dual problem in the observation space. A major drawback in the present use of kernels is that the interpretation in terms of the original features is lost. In this paper, we argue that in the case of a wide matrix of features, where there are more features than observations, the kernel solution can be re-expressed in terms of a linear combination of the original matrix of features and a ridge penalty that involves a special metric. Consequently, the exact same predicted values can be obtained as a weighted linear combination of the features in the usual manner and thus can be interpreted. In the case where the number of features is less than the number of observations, we discuss a least-squares approximation of the kernel matrix that still allows the interpretation in terms of a linear combination. It is shown that these results hold for any function of a linear combination that minimizes the coefficients and has a ridge penalty on these coefficients, such as in kernel logistic regression and kernel Poisson regression. This work makes a contribution to interpretable artificial intelligence.
A State-Space Approach to Nonstationary Discriminant Analysis
Xie, Shuilian, Imani, Mahdi, Dougherty, Edward R., Braga-Neto, Ulisses M.
Classical discriminant analysis assumes identically distributed training data, yet in many applications observations are collected over time and the class-conditional distributions drift. This population drift renders stationary classifiers unreliable. We propose a principled, model-based framework that embeds discriminant analysis within state-space models to obtain nonstationary linear discriminant analysis (NSLDA) and nonstationary quadratic discriminant analysis (NSQDA). For linear-Gaussian dynamics, we adapt Kalman smoothing to handle multiple samples per time step and develop two practical extensions: (i) an expectation-maximization (EM) approach that jointly estimates unknown system parameters, and (ii) a Gaussian mixture model (GMM)-Kalman method that simultaneously recovers unobserved time labels and parameters, a scenario common in practice. To address nonlinear or non-Gaussian drift, we employ particle smoothing to estimate time-varying class centroids, yielding fully nonstationary discriminant rules. Extensive simulations demonstrate consistent improvements over stationary linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), and support vector machine (SVM) baselines, with robustness to noise, missing data, and class imbalance. This paper establishes a unified and data-efficient foundation for discriminant analysis under temporal distribution shift.
Mining Mental Health Signals: A Comparative Study of Four Machine Learning Methods for Depression Detection from Social Media Posts in Sorani Kurdish
Mohammed, Idrees, Hassani, Hossein
Depression is a common mental health condition that can lead to hopelessness, loss of interest, self-harm, and even suicide. Early detection is challenging due to individuals not self-reporting or seeking timely clinical help. With the rise of social media, users increasingly express emotions online, offering new opportunities for detection through text analysis. While prior research has focused on languages such as English, no studies exist for Sorani Kurdish. This work presents a machine learning and Natural Language Processing (NLP) approach to detect depression in Sorani tweets. A set of depression-related keywords was developed with expert input to collect 960 public tweets from X (Twitter platform). The dataset was annotated into three classes: Shows depression, Not-show depression, and Suspicious by academics and final year medical students at the University of Kurdistan Hewlêr. Four supervised models, including Support Vector Machines, Multinomial Naive Bayes, Logistic Regression, and Random Forest, were trained and evaluated, with Random Forest achieving the highest performance accuracy and F1-score of 80%. This study establishes a baseline for automated depression detection in Kurdish language contexts.
Machine Learning Approaches to Vocal Register Classification in Contemporary Male Pop Music
Kim, Alexander, Botha, Charlotte
For singers of all experience levels, one of the most fun and daunting challenges in learning, technical repertoire is navigating placement and vocal register in and around the passagio (passage between chest voice and head voice registers). Contemporary Pop and Musical Theater solos increasingly demand strong command through and above the first passagio, and the use of various timbre and textures to achieve a desired quality. Thus, it can be difficult to identify what vocal register within the vocal range a singer is using even for advanced vocalists. This paper presents two methods for classifying vocal registers in an audio signal of male pop music through the end-to-end analysis of textural features of mel-spectrogram images. Additionally, we will discuss the practical integration of these models for vocal analysis tools, and introduce a concurrently developed software called AVRA which stands for Automatic Vocal Register Analysis. Our proposed methods achieved consistent classification of vocal register through both Support Vector Machine (SVM) and Convolutional Neural Network (CNN) models, which shows promise for robust classification possibilities across a greater range of voice types and genre.