Smooth Kolmogorov Arnold networks enabling structural knowledge representation

Kolmogorov-Arnold Networks (KANs) offer an efficient and interpretable alternative to traditional multi-layer perceptron (MLP) architectures due to their finite network topology. However, according to the results of Kolmogorov and Vitushkin, the representation of generic smooth functions by KAN implementations using analytic functions constrained to a finite number of cutoff points cannot be exact. Hence, the convergence of KAN throughout the training process may be limited. This paper explores the relevance of smoothness in KANs, proposing that smooth, structurally informed KANs can achieve equivalence to MLPs in specific function classes. By leveraging inherent structural knowledge, KANs may reduce the data required for training and mitigate the risk of generating hallucinated predictions, thereby enhancing model reliability and performance in computational biomedicine.

Tree-Based Learning on Amperometric Time Series Data Demonstrates High Accuracy for Classification

Elucidating exocytosis processes provide insights into cellular neurotransmission mechanisms, and may have potential in neurodegenerative diseases research. Amperometry is an established electrochemical method for the detection of neurotransmitters released from and stored inside cells. An important aspect of the amperometry method is the sub-millisecond temporal resolution of the current recordings which leads to several hundreds of gigabytes of high-quality data. In this study, we present a universal method for the classification with respect to diverse amperometric datasets using data-driven approaches in computational science. We demonstrate a very high prediction accuracy (greater than or equal to 95%). This includes an end-to-end systematic machine learning workflow for amperometric time series datasets consisting of pre-processing; feature extraction; model identification; training and testing; followed by feature importance evaluation - all implemented. We tested the method on heterogeneous amperometric time series datasets generated using different experimental approaches, chemical stimulations, electrode types, and varying recording times. We identified a certain overarching set of common features across these datasets which enables accurate predictions. Further, we showed that information relevant for the classification of amperometric traces are neither in the spiky segments alone, nor can it be retrieved from just the temporal structure of spikes. In fact, the transients between spikes and the trace baselines carry essential information for a successful classification, thereby strongly demonstrating that an effective feature representation of amperometric time series requires the full time series. To our knowledge, this is one of the first studies that propose a scheme for machine learning, and in particular, supervised learning on full amperometry time series data.