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Generative Artificial Intelligence (GenAI) presents a governance challenge for STEM assessment. Unrestricted GenAI access enables task outsourcing that undermines the validity of traditional assessments; blanket prohibitions are difficult…
Gene Regulatory Networks (GRNs) are intricate biological systems that control gene expression and regulation in response to environmental and developmental cues. Advances in computational biology, coupled with high throughput sequencing…
Recently, the introduction of the generative adversarial network (GAN) and its variants has enabled the generation of realistic synthetic samples, which has been used for enlarging training sets. Previous work primarily focused on data…
Virtual screening aims to find desirable compounds from chemical library by using computational methods. For this purpose with machine learning, model outputs that can be interpreted as predictive probability will be beneficial, in that a…
Composites are amongst the most important materials manufactured today, as evidenced by their use in countless applications. In order to establish the suitability of composites in specific applications, finite element (FE) modelling, a…
This study examines the impact of Generative Artificial Intelligence (GenAI) on academic research, focusing on its application to qualitative and quantitative data analysis. As GenAI tools evolve rapidly, they offer new possibilities for…
Machine learning methods can detect complex relationships between variables, but usually do not exploit domain knowledge. This is a limitation because in many scientific disciplines, such as systems biology, domain knowledge is available in…
The currently dominating artificial intelligence and machine learning technology, neural networks, builds on inductive statistical learning. Neural networks of today are information processing systems void of understanding and reasoning…
Various AI models are increasingly being considered as part of clinical decision-support tools. However, the trustworthiness of such models is rarely considered. Clinicians are more likely to use a model if they can understand and trust its…
Generative Artificial Intelligence (GenAI) tools have become increasingly prevalent in software development, offering assistance to various managerial and technical project activities. Notable examples of these tools include OpenAIs…
Operator learning is a recently developed generalization of regression to mappings between functions. It promises to drastically reduce expensive numerical integration of PDEs to fast evaluations of mappings between functional states of a…
The lack of interpretability is an inevitable problem when using neural network models in real applications. In this paper, an explainable neural network based on generalized additive models with structured interactions (GAMI-Net) is…
Generative AI (genAI) tools, such as ChatGPT or Copilot, are advertised to improve developer productivity and are being integrated into software development. However, misaligned trust, skepticism, and usability concerns can impede the…
Graphical models are widely used to make inferences concerning interplay in multivariate systems. In many applications, data are collected from multiple related but nonidentical units whose underlying networks may differ but are likely to…
The black-box nature of artificial intelligence (AI) models has been the source of many concerns in their use for critical applications. Explainable Artificial Intelligence (XAI) is a rapidly growing research field that aims to create…
Recent progress in multimodal graph neural networks has demonstrated that augmenting atomic XYZ geometries with textual chemical descriptors can enhance predictive accuracy across a range of electronic and thermodynamic properties. However,…
Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…
Machine learning (ML) on graph-structured data has recently received deepened interest in the context of intrusion detection in the cybersecurity domain. Due to the increasing amounts of data generated by monitoring tools as well as more…
Self-explainable deep neural networks are a recent class of models that can output ante-hoc local explanations that are faithful to the model's reasoning, and as such represent a step forward toward filling the gap between expressiveness…
Motivation: We explored how explainable artificial intelligence (XAI) can help to shed light into the inner workings of neural networks for protein function prediction, by extending the widely used XAI method of integrated gradients such…