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Data science and informatics tools have been proliferating recently within the computational materials science and catalysis fields. This proliferation has spurned the creation of various frameworks for automated materials screening,…
Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is challenging to quantify the uncertainty of a computational…
In the domain of corporate credit rating, traditional deep learning methods have improved predictive accuracy but still suffer from the inherent 'black-box' problem and limited interpretability. While incorporating non-financial information…
Multi-stage screening pipelines are ubiquitous throughout experimental and computational science. Much of the effort in developing screening pipelines focuses on improving generative methods or surrogate models in an attempt to make each…
Scientific publications about machine learning in healthcare are often about implementing novel methods and boosting the performance - at least from a computer science perspective. However, beyond such often short-lived improvements, much…
In order to drive safely on the road, autonomous vehicle is expected to predict future outcomes of its surrounding environment and react properly. In fact, many researchers have been focused on solving behavioral prediction problems for…
Multi-Agent Systems (MAS) are adopted and tested with many complex and critical industrial applications, which are required to be adaptive, scalable, context-aware, and include real-time constraints. Industrial Control Networks (ICN) are…
Complex scheduling problems require a large amount computation power and innovative solution methods. The objective of this paper is the conception and implementation of a multi-agent system that is applicable in various problem domains.…
The goal of this thesis is to design a learning model predictive controller (LMPC) that allows multiple agents to race competitively on a predefined race track in real-time. This thesis addresses two major shortcomings in the already…
Successful human-robot teaming will require robots to adapt autonomously to a human teammate's internal state, where a critical element of such adaptation is the ability to estimate the human's workload in unknown situations. Existing…
Multi-agent artificial intelligence systems or MAS are systems of autonomous agents that exercise delegated tool authority, share persistent memory, and coordinate via inter-agent communication. MAS introduces qualitatively distinct…
In this paper we study the verification of parameterised multi-agent systems (MASs), and in particular the task of verifying whether unwanted states, characterised as a given state formula, are reachable in a given MAS, i.e., whether the…
Physics-based simulations and learning-based models are vital for complex robotics tasks like deformable object manipulation and liquid handling. However, these models often struggle with accuracy due to epistemic uncertainty or the…
This review aims to draw attention to two issues of concern when we set out to make machine learning work in the chemical and materials domain, i.e., statistical loss function metrics for the validation and benchmarking of data-derived…
The construction industry is characterized by both high physical and psychological risks, yet supports of mental health remain limited. While advancements in artificial intelligence (AI), particularly large language models (LLMs), offer…
Survival models are used in various fields, such as the development of cancer treatment protocols. Although many statistical and machine learning models have been proposed to achieve accurate survival predictions, little attention has been…
Large language model-based multi-agent systems have shown great abilities across various tasks due to the collaboration of expert agents, each focusing on a specific domain. However, the impact of clumsy or even malicious agents--those who…
The key for effective interaction in many multiagent applications is to reason explicitly about the behaviour of other agents, in the form of a hypothesised behaviour. While there exist several methods for the construction of a behavioural…
The research area of algorithms with predictions has seen recent success showing how to incorporate machine learning into algorithm design to improve performance when the predictions are correct, while retaining worst-case guarantees when…
As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework…