The use of digital twins for the development of Autonomous Maritime Surface Vessels (AMSVs) has enormous potential to resolve the increasing need for water-based navigation and safety at the sea. Aiming at the problem of lack of broad and integrated digital twin implementations with live data along with the absence of a digital twin-driven framework for AMSV design and development, an application framework for the development of a fully autonomous vessel using an integrated digital twin in a 3D simulation environment has been presented. Our framework has 4 layers which ensure that simulation and real-world vessel and the environment are as close as possible. Åboat, an in-house, experimental research platform for maritime automation and autonomous surface vessel applications, equipped with two trolling electric motors, cameras, LiDARs, IMU and GPS has been used as the case study to provide a proof of concept. Åboat, its sensors, and the environment have been replicated in a commercial, 3D simulation environment, AILiveSim. Using the proposed application framework, we develop obstacle detection and path planning systems based on machine learning which leverage live data from a 3D simulation environment to mirror the complex dynamics of the real world. Exploiting the proposed application framework, the rewards across training episodes of a Deep Reinforcement Learning model are evaluated for live simulated data in AILiveSim.@en

Molecular Dynamic (MD) simulations are very effective in the discovery of nanomedicines for treating cancer, but these are computationally expensive and time-consuming. Existing studies integrating machine learning (ML) into MD simulation to enhance the process and enable efficient analysis cannot provide direct insights without the complete simulation. In this study, we present an ML-based approach for predicting the solvent accessible surface area (SASA) of a nanoparticle (NP), denoting its efficacy, from a fraction of the MD simulations data. The proposed framework uses a time series model for simulating the MD, resulting in an intermediate state, and a second model to calculate the SASA in that state. Empirically, the solution can predict the SASA value 260 timesteps ahead 7.5 times faster with a very low average error of 1956.93. We also introduce the use of an explainability technique to validate the predictions. This work can reduce the computational expense of both processing and data size greatly while providing reliable solutions for the nanomedicine design process.@en

Obstacle detection is a fundamental capability of an autonomous maritime surface vessel (AMSV). State-of-the-art obstacle detection algorithms are based on convolutional neural networks (CNNs). While CNNs provide higher detection accuracy and fast detection speed, they require enormous amounts of data for their training. In particular, the availability of domain-specific datasets is a challenge for obstacle detection. The difficulty in conducting onsite experiments limits the collection of maritime datasets. Owing to the logistic cost of conducting on-site operations, simulation tools provide a safe and cost-efficient alternative for data collection. In this work, we introduce SimuShips, a publicly available simulation-based dataset for maritime environments. Our dataset consists of 9471 high-resolution (1920x1080) images which include a wide range of obstacle types, atmospheric and illumination conditions along with occlusion, scale and visible proportion variations. We provide annotations in the form of bounding boxes. In addition, we conduct experiments with YOLOv5 to test the viability of simulation data. Our experiments indicate that the combination of real and simulated images improves the recall for all classes by 2.9%. @en

Despite their predictive capabilities and rapid advancement, the black-box nature of Artificial Intelligence (AI) models, particularly in healthcare, has sparked debate regarding their trustworthiness and accountability. In response, the field of Explainable AI (XAI) has emerged, aiming to create transparent AI technologies. We present a novel approach to enhance AI interpretability by leveraging texture analysis, with a focus on cancer datasets. By focusing on specific texture features and their correlations with a prediction outcome extracted from medical images, our proposed methodology aims to elucidate the underlying mechanics of AI, improve AI trustworthiness, and facilitate human understanding. The code is available at https://github.com/xrai-lib/xai-texture.@en

We present the EVONANO platform for the evolution of nanomedicines with application to anti-cancer treatments. Our work aims to decrease both the time and cost required to develop nanoparticle designs. EVONANO includes a simulator to grow tumours, extract representative scenarios, and simulate nanoparticle transport through these scenarios in order to predict nanoparticle distribution. The nanoparticle designs are optimised using machine learning to efficiently find the most effective anti-cancer treatments. We demonstrate EVONANO with two examples optimising the properties of nanoparticles and treatment to selectively kill cancer cells over a range of tumour environments. Our platform shows how in silico models that capture both tumour and tissue-scale dynamics can be combined with machine learning to optimise nanomedicine.@en

The problem of gender bias is highly prevalent and well known. In this paper, we have analysed the portrayal of gender roles in English movies, a medium that effectively influences society in shaping people’s beliefs and opinions. First, we gathered scripts of films from different genres and derived sentiments and emotions using natural language processing techniques. Afterwards, we converted the scripts into embeddings, i.e., a way of representing text in the form of vectors. With a thorough investigation, we found specific patterns in male and female characters’ personality traits in movies that align with societal stereotypes. Furthermore, we used mathematical and machine learning techniques and found some biases wherein men are shown to be more dominant and envious than women, whereas women have more joyful roles in movies. In our work, we introduce, to the best of our knowledge, a novel technique to convert dialogues into an array of emotions by combining it with Plutchik’s wheel of emotions. Our study aims to encourage reflections on gender equality in the domain of film and facilitate other researchers in analysing movies automatically instead of using manual approaches.@en

In this article we present the state of the art in the field of autonomous surface ship navigation using machine learning. We discuss the main challenges towards the development of fully autonomous navigation systems with the International Regulations for Preventing Collisions at Sea (COLREGs). Finally, we propose two alternative approaches that are based on machine learning. Existing COLREGs-based navigation and collision avoidance algorithms are based on traditional search-based planning and optimization algorithms. We consider that these approaches are suitable when the problem space is defined completely and rigorously. However, experts believe that is not the case for COLREGs since it leaves many aspects open to the interpretation of the captain. For example, COLREGs expects that any collision avoidance action shall be taken with due regard to the observance of good seamanship, a concept not defined in the convention. Furthermore, many rules are defined using undefined concepts like safe distance, or keywords like early, or substantial, without giving any definition. COLREGs even allow for the rules to be broken to avoid an accident. Due to this, traditional planning approaches may not be able to handle complex scenarios that are underspecified according to COLREGs. An alternative is the use of machine learning (ML), reinforcement learning (RL) and imitation learning (IL) at the core of autonomous navigation systems. Machine learning is known to succeed and outperform traditional approaches specially in vaguely defined problem domains, where it is difficult, if not impossible, to create a full formal specification of the phenomenon under study. We consider this to be the case for COLREGs-based navigation and we conjecture that a ML-based navigation approach can outperform existing search-based and optimization algorithms.@en

This paper explores the state of the art on to methods to verify and validate navigation algorithms for autonomous surface ships. We perform a systematic mapping study to find research works published in the last 10 years proposing new algorithms for autonomous navigation and collision avoidance and we have extracted what verification and validation approaches have been applied on these algorithms. We observe that most research works use simulations to validate their algorithms. However, these simulations often involve just a few scenarios designed manually. This raises the question if the algorithms have been validated properly. To remedy this, we propose the use of a systematic scenario-based testing approach to validate navigation algorithms extensively.@en