Statistical Learning
Hyperbox Mixture Regression for Process Performance Prediction in Antibody Production
Nik-Khorasani, Ali, Khuat, Thanh Tung, Gabrys, Bogdan
This paper addresses the challenges of predicting bioprocess performance, particularly in monoclonal antibody (mAb) production, where conventional statistical methods often fall short due to time-series data's complexity and high dimensionality. We propose a novel Hyperbox Mixture Regression (HMR) model which employs hyperbox-based input space partitioning to enhance predictive accuracy while managing uncertainty inherent in bioprocess data. The HMR model is designed to dynamically generate hyperboxes for input samples in a single-pass process, thereby improving learning speed and reducing computational complexity. Our experimental study utilizes a dataset that contains 106 bioreactors. This study evaluates the model's performance in predicting critical quality attributes in monoclonal antibody manufacturing over a 15-day cultivation period. The results demonstrate that the HMR model outperforms comparable approximators in accuracy and learning speed and maintains interpretability and robustness under uncertain conditions. These findings underscore the potential of HMR as a powerful tool for enhancing predictive analytics in bioprocessing applications.
Differentiable Quantum Computing for Large-scale Linear Control
Clayton, Connor, Leng, Jiaqi, Yang, Gengzhi, Qiao, Yi-Ling, Lin, Ming C., Wu, Xiaodi
As industrial models and designs grow increasingly complex, the demand for optimal control of large-scale dynamical systems has significantly increased. However, traditional methods for optimal control incur significant overhead as problem dimensions grow. In this paper, we introduce an end-to-end quantum algorithm for linear-quadratic control with provable speedups. Our algorithm, based on a policy gradient method, incorporates a novel quantum subroutine for solving the matrix Lyapunov equation. Specifically, we build a quantum-assisted differentiable simulator for efficient gradient estimation that is more accurate and robust than classical methods relying on stochastic approximation. Compared to the classical approaches, our method achieves a super-quadratic speedup. To the best of our knowledge, this is the first end-to-end quantum application to linear control problems with provable quantum advantage.
Convolutional Filtering with RKHS Algebras
Parada-Mayorga, Alejandro, Agorio, Leopoldo, Ribeiro, Alejandro, Bazerque, Juan
In this paper, we develop a generalized theory of convolutional signal processing and neural networks for Reproducing Kernel Hilbert Spaces (RKHS). Leveraging the theory of algebraic signal processing (ASP), we show that any RKHS allows the formal definition of multiple algebraic convolutional models. We show that any RKHS induces algebras whose elements determine convolutional operators acting on RKHS elements. This approach allows us to achieve scalable filtering and learning as a byproduct of the convolutional model, and simultaneously take advantage of the well-known benefits of processing information in an RKHS. To emphasize the generality and usefulness of our approach, we show how algebraic RKHS can be used to define convolutional signal models on groups, graphons, and traditional Euclidean signal spaces. Furthermore, using algebraic RKHS models, we build convolutional networks, formally defining the notion of pointwise nonlinearities and deriving explicit expressions for the training. Such derivations are obtained in terms of the algebraic representation of the RKHS. We present a set of numerical experiments on real data in which wireless coverage is predicted from measurements captured by unmaned aerial vehicles. This particular real-life scenario emphasizes the benefits of the convolutional RKHS models in neural networks compared to fully connected and standard convolutional operators.
Guiding Neural Collapse: Optimising Towards the Nearest Simplex Equiangular Tight Frame
Markou, Evan, Ajanthan, Thalaiyasingam, Gould, Stephen
Neural Collapse (NC) is a recently observed phenomenon in neural networks that characterises the solution space of the final classifier layer when trained until zero training loss. Specifically, NC suggests that the final classifier layer converges to a Simplex Equiangular Tight Frame (ETF), which maximally separates the weights corresponding to each class. By duality, the penultimate layer feature means also converge to the same simplex ETF. Since this simple symmetric structure is optimal, our idea is to utilise this property to improve convergence speed. Specifically, we introduce the notion of nearest simplex ETF geometry for the penultimate layer features at any given training iteration, by formulating it as a Riemannian optimisation. Then, at each iteration, the classifier weights are implicitly set to the nearest simplex ETF by solving this inner-optimisation, which is encapsulated within a declarative node to allow backpropagation. Our experiments on synthetic and real-world architectures for classification tasks demonstrate that our approach accelerates convergence and enhances training stability.
Can Large Language Model Predict Employee Attrition?
Ma, Xiaoye, Liu, Weiheng, Zhao, Changyi, Tukhvatulina, Liliya R.
Employee attrition poses significant costs for organizations, with traditional statistical prediction methods often struggling to capture modern workforce complexities. Machine learning (ML) advancements offer more scalable and accurate solutions, but large language models (LLMs) introduce new potential in human resource management by interpreting nuanced employee communication and detecting subtle turnover cues. This study leverages the IBM HR Analytics Attrition dataset to compare the predictive accuracy and interpretability of a fine-tuned GPT-3.5 model against traditional ML classifiers, including Logistic Regression, k-Nearest Neighbors (KNN), Support Vector Machine (SVM), Decision Tree, Random Forest, AdaBoost, and XGBoost. While traditional models are easier to use and interpret, LLMs can reveal deeper patterns in employee behavior. Our findings show that the fine-tuned GPT-3.5 model outperforms traditional methods with a precision of 0.91, recall of 0.94, and an F1-score of 0.92, while the best traditional model, SVM, achieved an F1-score of 0.82, with Random Forest and XGBoost reaching 0.80. These results highlight GPT-3.5's ability to capture complex patterns in attrition risk, offering organizations improved insights for retention strategies and underscoring the value of LLMs in HR applications.
FEED: Fairness-Enhanced Meta-Learning for Domain Generalization
Jiang, Kai, Zhao, Chen, Wang, Haoliang, Chen, Feng
Generalizing to out-of-distribution data while being aware of model fairness is a significant and challenging problem in meta-learning. The goal of this problem is to find a set of fairness-aware invariant parameters of classifier that is trained using data drawn from a family of related training domains with distribution shift on non-sensitive features as well as different levels of dependence between model predictions and sensitive features so that the classifier can achieve good generalization performance on unknown but distinct test domains. To tackle this challenge, existing state-of-the-art methods either address the domain generalization problem but completely ignore learning with fairness or solely specify shifted domains with various fairness levels. This paper introduces an approach to fairness-aware meta-learning that significantly enhances domain generalization capabilities. Our framework, Fairness-Enhanced Meta-Learning for Domain Generalization (FEED), disentangles latent data representations into content, style, and sensitive vectors. This disentanglement facilitates the robust generalization of machine learning models across diverse domains while adhering to fairness constraints. Unlike traditional methods that focus primarily on domain invariance or sensitivity to shifts, our model integrates a fairness-aware invariance criterion directly into the meta-learning process. This integration ensures that the learned parameters uphold fairness consistently, even when domain characteristics vary widely. We validate our approach through extensive experiments across multiple benchmarks, demonstrating not only superior performance in maintaining high accuracy and fairness but also significant improvements over existing state-of-the-art methods in domain generalization tasks.
Class-specific feature selection for classification explainability
Feature Selection techniques aim at finding a relevant subset of features that perform equally or better than the original set of features at explaining the behavior of data. Typically, features are extracted from feature ranking or subset selection techniques, and the performance is measured by classification or regression tasks. However, while selected features may not have equal importance for the task, they do have equal importance for each class. This work first introduces a comprehensive review of the concept of class-specific, with a focus on feature selection and classification. The fundamental idea of the class-specific concept resides in the understanding that the significance of each feature can vary from one class to another. This contrasts with the traditional class-independent approach, which evaluates the importance of attributes collectively for all classes. For example, in tumor prediction scenarios, each type of tumor may be associated with a distinct subset of relevant features. These features possess significant discriminatory power, enabling the differentiation of one tumor type from others. This class-specific perspective offers a more effective approach to classification tasks by recognizing and leveraging the unique characteristics of each class. Secondly, classification schemes from one-versus-all and one-versus-each strategies are described, and a novel deep one-versus-each strategy is introduced, which offers advantages from the point of view of explainability (feature selection) and decomposability (classification). Thirdly, a novel class-specific relevance matrix is presented, from which some more sophisticated classification schemes can be derived, such as the three-layer class-specific scheme. The potential for further advancements is wide and will open new horizons for exploring novel research directions in multiclass hyperdimensional contexts.
Machine Learning Assisted Postural Movement Recognition using Photoplethysmography(PPG)
Maccay, Robbie, Weerasekera, Roshan
With the growing percentage of elderly people and care home admissions, there is an urgent need for the development of fall detection and fall prevention technologies. This work presents, for the first time, the use of machine learning techniques to recognize postural movements exclusively from Photoplethysmography (PPG) data. To achieve this goal, a device was developed for reading the PPG signal, segmenting the PPG signals into individual pulses, extracting pulse morphology and homeostatic characteristic features, and evaluating different ML algorithms. Investigations into different postural movements (stationary, sitting to standing, and lying to standing) were performed by 11 participants. The results of these investigations provided insight into the differences in homeostasis after the movements in the PPG signal. Various machine learning approaches were used for classification, and the Artificial Neural Network (ANN) was found to be the best classifier, with a testing accuracy of 85.2\% and an F1 score of 78\% from experimental results.
Uncertainty measurement for complex event prediction in safety-critical systems
Peixoto, Maria J. P., Azim, Akramul
Complex events originate from other primitive events combined according to defined patterns and rules. Instead of using specialists' manual work to compose the model rules, we use machine learning (ML) to self-define these patterns and regulations based on incoming input data to produce the desired complex event. Complex events processing (CEP) uncertainty is critical for embedded and safety-critical systems. This paper exemplifies how we can measure uncertainty for the perception and prediction of events, encompassing embedded systems that can also be critical to safety. Then, we propose an approach (ML\_CP) incorporating ML and sensitivity analysis that verifies how the output varies according to each input parameter. Furthermore, our model also measures the uncertainty associated with the predicted complex event. Therefore, we use conformal prediction to build prediction intervals, as the model itself has uncertainties, and the data has noise. Also, we tested our approach with classification (binary and multi-level) and regression problems test cases. Finally, we present and discuss our results, which are very promising within our field of research and work.
The impact of MRI image quality on statistical and predictive analysis on voxel based morphology
Hoffstaedter, Felix, Nieto, Nicolás, Eickhoff, Simon B., Patil, Kaustubh R.
Image Quality of MRI brain scans is strongly influenced by within scanner head movements and the resulting image artifacts alter derived measures like brain volume and cortical thickness. Automated image quality assessment is key to controlling for confounding effects of poor image quality. In this study, we systematically test for the influence of image quality on univariate statistics and machine learning classification. We analyzed group effects of sex/gender on local brain volume and made predictions of sex/gender using logistic regression, while correcting for brain size. From three large publicly available datasets, two age and sex-balanced samples were derived to test the generalizability of the effect for pooled sample sizes of n=760 and n=1094. Results of the Bonferroni corrected t-tests over 3747 gray matter features showed a strong influence of low-quality data on the ability to find significant sex/gender differences for the smaller sample. Increasing sample size and more so image quality showed a stark increase in detecting significant effects in univariate group comparisons. For the classification of sex/gender using logistic regression, both increasing sample size and image quality had a marginal effect on the Area under the Receiver Operating Characteristic Curve for most datasets and subsamples. Our results suggest a more stringent quality control for univariate approaches than for multivariate classification with a leaning towards higher quality for classical group statistics and bigger sample sizes for machine learning applications in neuroimaging.