The ability to detect macroscopic changes is important for probing the behaviors of experimental many-body systems from the classical to the quantum realm. Although abrupt changes near phase boundaries can easily be detected, subtle macroscopic changes are much more difficult to detect as the changes can be obscured by noise. In this study, as a toy model for detecting subtle macroscopic changes in many-body systems, we try to differentiate scalar field samples at varying temperatures. We compare different methods for making such differentiations, from physics method, statistics method, to AI method. Our finding suggests that the AI method outperforms both the statistical method and the physics method in its sensitivity. Our result provides a proof-of-concept that AI can potentially detect macroscopic changes in many-body systems that elude physical measures.

We study accelerated optimization methods in the Gaussian phase retrieval problem. In this setting, we prove that gradient methods with Polyak or Nesterov momentum have similar implicit regularization to gradient descent. This implicit regularization ensures that the algorithms remain in a nice region, where the cost function is strongly convex and smooth despite being nonconvex in general. This ensures that these accelerated methods achieve faster rates of convergence than gradient descent. Experimental evidence demonstrates that the accelerated methods converge faster than gradient descent in practice.

With the recent success of artificial intelligence in neuroscience, a number of deep learning (DL) models were proposed for classification, anomaly detection, and pattern recognition tasks in electroencephalography (EEG). EEG is a multi-channel time-series that provides information about the individual brain activity for diagnostics, neuro-rehabilitation, and other applications (including emotions recognition). Two main issues challenge the existing DL-based modeling methods for EEG: the high variability between subjects and the low signal-to-noise ratio making it difficult to ensure a good quality in the EEG data. In this paper, we propose two variational autoencoder models, namely vEEGNet-ver3 and hvEEGNet, to target the problem of high-fidelity EEG reconstruction. We properly designed their architectures using the blocks of the well-known EEGNet as the encoder, and proposed a loss function based on dynamic time warping. We tested the models on the public Dataset 2a - BCI Competition IV, where EEG was collected from 9 subjects and 22 channels. hvEEGNet was found to reconstruct the EEG data with very high-fidelity, outperforming most previous solutions (including our vEEGNet-ver3 ). Furthermore, this was consistent across all subjects. Interestingly, hvEEGNet made it possible to discover that this popular dataset includes a number of corrupted EEG recordings that might have influenced previous literature results. We also investigated the training behaviour of our models and related it with the quality and the size of the input EEG dataset, aiming at opening a new research debate on this relationship. In the future, hvEEGNet could be used as anomaly (e.g., artefact) detector in large EEG datasets to support the domain experts, but also the latent representations it provides could be used in other classification problems and EEG data generation.

Evolutionary machine learning (EML) has been applied to games in multiple ways, and for multiple different purposes. Importantly, AI research in games is not only about playing games; it is also about generating game content, modeling players, and many other applications. Many of these applications pose interesting problems for EML. We will structure this chapter on EML for games based on whether evolution is used to augment machine learning (ML) or ML is used to augment evolution. For completeness, we also briefly discuss the usage of ML and evolution separately in games.

In this work, we present a method to generate a configurational level fingerprint for polymers using the Bead-Spring-Model. Unlike some of the previous fingerprinting approaches that employ monomer-level information where atomistic descriptors are computed using quantum chemistry calculations, this approach incorporates configurational information from a coarse-grained model of a long polymer chain. The proposed approach may be advantageous for the study of behavior resulting from large molecular weights. To create this fingerprint, we make use of two kinds of descriptors. First, we calculate certain geometric descriptors like Re2, Rg2 etc. and label them as Calculated Descriptors. Second, we generate a set of data-driven descriptors using an unsupervised autoencoder model and call them Learnt Descriptors. Using a combination of both of them, we are able to learn mappings from the structure to various properties of the polymer chain by training ML models. We test our fingerprint to predict the probability of occurrence of a configuration at equilibrium, which is approximated by a simple linear relationship between the instantaneous internal energy and equilibrium average internal energy.

Mass spectrometry-based proteomics is a key enabler for personalized healthcare, providing a deep dive into the complex protein compositions of biological systems. This technology has vast applications in biotechnology and biomedicine but faces significant computational bottlenecks. Current methodologies often require multiple hours or even days to process extensive datasets, particularly in the domain of spectral clustering. To tackle these inefficiencies, we introduce SpecHD, a hyperdimensional computing (HDC) framework supplemented by an FPGA-accelerated architecture with integrated near-storage preprocessing. Utilizing streamlined binary operations in an HDC environment, SpecHD capitalizes on the low-latency and parallel capabilities of FPGAs. This approach markedly improves clustering speed and efficiency, serving as a catalyst for real-time, high-throughput data analysis in future healthcare applications. Our evaluations demonstrate that SpecHD not only maintains but often surpasses existing clustering quality metrics while drastically cutting computational time. Specifically, it can cluster a large-scale human proteome dataset-comprising 25 million MS/MS spectra and 131 GB of MS data-in just 5 minutes. With energy efficiency exceeding 31x and a speedup factor that spans a range of 6x to 54x over existing state of-the-art solutions, SpecHD emerges as a promising solution for the rapid analysis of mass spectrometry data with great implications for personalized healthcare.

In this study, we introduce an innovative Quantum-enhanced Support Vector Machine (QSVM) approach for stellar classification, leveraging the power of quantum computing and GPU acceleration. Our QSVM algorithm significantly surpasses traditional methods such as K-Nearest Neighbors (KNN) and Logistic Regression (LR), particularly in handling complex binary and multi-class scenarios within the Harvard stellar classification system. The integration of quantum principles notably enhances classification accuracy, while GPU acceleration using the cuQuantum SDK ensures computational efficiency and scalability for large datasets in quantum simulators. This synergy not only accelerates the processing process but also improves the accuracy of classifying diverse stellar types, setting a new benchmark in astronomical data analysis. Our findings underscore the transformative potential of quantum machine learning in astronomical research, marking a significant leap forward in both precision and processing speed for stellar classification. This advancement has broader implications for astrophysical and related scientific fields

Developing machine learning models to characterize political polarization on online social media presents significant challenges. These challenges mainly stem from various factors such as the lack of annotated data, presence of noise in social media datasets, and the sheer volume of data. The common research practice typically examines the biased structure of online user communities for a given topic or qualitatively measuring the impacts of polarized topics on social media. However, there is limited work focusing on analyzing polarization at the ground-level, specifically in the social media posts themselves. Such existing analysis heavily relies on annotated data, which often requires laborious human labeling, offers labels only to specific problems, and lacks the ability to determine the near-future bias state of a social media conversations. Understanding the degree of political orientation conveyed in social media posts is crucial for quantifying the bias of online user communities and investigating the spread of polarized content. In this work, we first introduce two heuristic methods that leverage on news media bias and post content to label social media posts. Next, we compare the efficacy and quality of heuristically labeled dataset with a randomly sampled human-annotated dataset. Additionally, we demonstrate that current machine learning models can exhibit improved performance in predicting political orientation of social media posts, employing both traditional supervised learning and few-shot learning setups. We conduct experiments using the proposed heuristic methods and machine learning approaches to predict the political orientation of posts collected from two social media forums with diverse political ideologies: Gab and Twitter.

Large neural networks pretrained on web-scale corpora are central to modern machine learning. In this paradigm, the distribution of the large, heterogeneous pretraining data rarely matches that of the application domain. This work considers modifying the pretraining distribution in the case where one has a small sample of data reflecting the targeted test conditions. We propose an algorithm motivated by a recent formulation of this setting as an online, bilevel optimization problem. With scalability in mind, our algorithm prioritizes computing gradients at training points which are likely to most improve the loss on the targeted distribution. Empirically, we show that in some cases this approach is beneficial over existing strategies from the domain adaptation literature but may not succeed in other cases. We propose a simple test to evaluate when our approach can be expected to work well and point towards further research to address current limitations.

Background and objectives: By extracting this information, Machine or Deep Learning (ML/DL)-based autonomous data analysis tools can assist clinicians and cancer researchers in discovering patterns and relationships from complex data sets. Many DL-based analyses on ovarian cancer (OC) data have recently been published. These analyses are highly diverse in various aspects of cancer (e.g., subdomain(s) and cancer type they address) and data analysis features. However, a comprehensive understanding of these analyses in terms of these features and AI assurance (AIA) is currently lacking. This systematic review aims to fill this gap by examining the existing literature and identifying important aspects of OC data analysis using DL, explicitly focusing on the key features and AI assurance perspectives. Methods: The PRISMA framework was used to conduct comprehensive searches in three journal databases. Only studies published between 2015 and 2023 in peer-reviewed journals were included in the analysis. Results: In the review, a total of 96 DL-driven analyses were examined. The findings reveal several important insights regarding DL-driven ovarian cancer data analysis: - Most studies 71% (68 out of 96) focused on detection and diagnosis, while no study addressed the prediction and prevention of OC. - The analyses were predominantly based on samples from a non-diverse population (75% (72/96 studies)), limited to a geographic location or country. - Only a small proportion of studies (only 33% (32/96)) performed integrated analyses, most of which used homogeneous data (clinical or omics). - Notably, a mere 8.3% (8/96) of the studies validated their models using external and diverse data sets, highlighting the need for enhanced model validation, and - The inclusion of AIA in cancer data analysis is in a very early stage; only 2.1% (2/96) explicitly addressed AIA through explainability.