Andreas Schuppert

Jeyashree Krishnan, Zeyu Lian, Pieter E. Oomen et al.

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.

Moein E. Samadi, Younes Müller, Andreas Schuppert

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.

Moein E. Samadi, Andreas Schuppert

Foundation models have rapidly advanced AI, raising the question of whether their decisions will ultimately surpass human strategies in real-world domains. The exponential, and possibly super-exponential, pace of AI development makes such analysis elusive. Nevertheless, many application areas that matter for daily life and society show only modest gains so far; a prominent case is diagnosing and treating dynamically evolving disease in intensive care. The common challenge is adapting complex systems to dynamic environments. Effective strategies must optimize outcomes in systems composed of strongly interacting functions while avoiding shared side effects; this requires reliable, self-adaptive modeling. These tasks align with building digital twins of highly complex systems whose mechanisms are not fully or quantitatively understood. It is therefore essential to develop methods for self-adapting AI models with minimal data and limited mechanistic knowledge. As this challenge extends beyond medicine, AI should demonstrate clear superiority in these settings before assuming broader decision-making roles. We identify the curse of dimensionality as a fundamental barrier to efficient self-adaptation and argue that monolithic foundation models face conceptual limits in overcoming it. As an alternative, we propose a decentralized architecture of interacting small agent networks (SANs). We focus on agents representing the specialized substructure of the system, where each agent covers only a subset of the full system functions. Drawing on mathematical results on the learning behavior of SANs and evidence from existing applications, we argue that swarm-learning in diverse swarms can enable self-adaptive SANs to deliver superior decision-making in dynamic environments compared with monolithic foundation models, though at the cost of reduced reproducibility in detail.