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Accurate prediction of molecular metabolic stability (MS) is critical for drug research and development but remains challenging due to the complex interplay of molecular interactions. Despite recent advances in graph neural networks (GNNs)…
Autonomous navigation in unstructured environments requires robots to assess terrain difficulty in real-time and plan paths that balance efficiency with safety. This thesis presents a traversability-aware navigation framework for the M4…
This paper is concerned with the reliable inference of optimal tree-approximations to the dependency structure of an unknown distribution generating data. The traditional approach to the problem measures the dependency strength between…
Large language models (LLMs) are often deployed as powerful yet opaque systems, leaving open how their internal memory and "self-like" behavior should be governed in a principled and auditable way. The Artificial Age Score (AAS) was…
Certified robustness in machine learning has primarily focused on adversarial perturbations of the input with a fixed attack budget for each point in the data distribution. In this work, we present provable robustness guarantees on the…
A precise assessment of the risk of breast lesions can greatly lower it and assist physicians in choosing the best course of action. To categorise breast lesions, the majority of current computer-aided systems only use characteristics from…
When each edge device of a network only perceives a local part of the environment, collaborative inference across multiple devices is often needed to predict global properties of the environment. In safety-critical applications,…
The rise of machine learning methods on heavily resource constrained devices requires not only the choice of a suitable model architecture for the target platform, but also the optimization of the chosen model with regard to execution time…
The computational prediction of atomistic structure is a long-standing problem in physics, chemistry, materials, and biology. Within conventional force-field or {\em ab initio} calculations, structure is determined through energy…
Qualitative models provide crucial instruments for modelling complex biological systems. While advances in automated reasoning and symbolic encodings have enabled rigorous inference of these models from data, the process remains highly…
We introduce a reproducible, bias-resistant machine learning framework that integrates domain-informed feature engineering, nested cross-validation, and calibrated decision-threshold optimization for small-sample neuroimaging data.…
Algorithmic verification of realistic systems to satisfy safety and other temporal requirements has suffered from poor scalability of the employed formal approaches. To design systems with rigorous guarantees, many approaches still rely on…
Deployments of artificial intelligence in medical diagnostics mandate not just accuracy and efficacy but also trust, emphasizing the need for explainability in machine decisions. The recent trend in automated medical image diagnostics leans…
Armoured vehicles are specialized and complex pieces of machinery designed to operate in high-stress environments, often in combat or tactical situations. This study proposes a predictive maintenance-based ensemble system that aids in…
Soft sensors are crucial in bridging autonomous systems' physical and digital realms, enhancing sensor fusion and perception. Instead of deploying soft sensors on the Cloud, this study shift towards employing on-device soft sensors,…
Large Language Models (LLMs) exhibit nonlinear relationships between performance, cost, and token usage. This paper presents a quantitative study on structured prompting using BRAID (Bounded Reasoning for Au tonomous Inference and…
Recent studies have demonstrated advantages of information fusion based on sparsity models for multimodal classification. Among several sparsity models, tree-structured sparsity provides a flexible framework for extraction of…
Monte Carlo Tree Search (MCTS) has emerged as a powerful tool for decision-making in robotics, enabling efficient exploration of large search spaces. However, traditional MCTS methods struggle in environments characterized by high…
With the relentless growth of the wind industry, there is an imperious need to design automatic data-driven solutions for wind turbine maintenance. As structural health monitoring mainly relies on visual inspections, the first stage in any…
With the continuing advances in scientific instrumentation, scanning microscopes are now able to image physical systems with up to sub-atomic-level spatial resolutions and sub-picosecond time resolutions. Commensurately, they are generating…