As current group contribution (GC) methods are mostly proposed for a wide size-range of molecules, applying them to property prediction of small refrigerant molecules could lead to unacceptable errors. In this sense, for the design of novel refrigerants and refrigeration systems, tailoring GC-based models specifically fitted to refrigerant molecules is of great interest. In this work, databases of potential refrigerant molecules are first collected, focusing on five key properties related to the operational efficiency of refrigeration systems, namely normal boiling point, critical temperature, critical pressure, enthalpy of vaporization, and acentric factor. Based on tailored small-molecule groups, the GC method is combined with machine learning (ML) to model these performance-related properties. Following the development of GC-ML models, their performance is analyzed to highlight the potential group-to-property contributions. Additionally, the refrigerant property databases are extended internally and externally, based on which examples are presented to highlight the significance of the developed models.

Artificial intelligence (AI) is currently considered a sustainability "game-changer" within and outside of academia. In order to discuss sustainable AI this article draws from insights by critical data and algorithm studies, STS, transformative sustainability science, critical computer science, and public interest theory. I argue that while there are indeed many sustainability-related use cases for AI, they are likely to have more overall drawbacks than benefits. To substantiate this claim, I differentiate three 'AI materialities' of the AI supply chain: first the literal materiality (e.g. water, cobalt, lithium, energy consumption etc.), second, the informational materiality (e.g. lots of data and centralised control necessary), and third, the social materiality (e.g. exploitative data work, communities harm by waste and pollution). In all materialities, effects are especially devastating for the global south while benefiting the global north. A second strong claim regarding sustainable AI circles around so called apolitical optimisation (e.g. regarding city traffic), however the optimisation criteria (e.g. cars, bikes, emissions, commute time, health) are purely political and have to be collectively negotiated before applying AI optimisation. Hence, sustainable AI, in principle, cannot break the glass ceiling of transformation and might even distract from necessary societal change. To address that I propose to stop 'unformation gathering' and to apply the 'small is beautiful' principle. This aims to contribute to an informed academic and collective negotiation on how to (not) integrate AI into the sustainability project while avoiding to reproduce the status quo by serving hegemonic interests between useful AI use cases, techno-utopian salvation narratives, technology-centred efficiency paradigms, the exploitative and extractivist character of AI and concepts of digital degrowth.

Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsorbates, and electrolyte. Predicting stable surface structures remains challenging, as traditional surface Pourbaix diagrams tend to either rely on expert knowledge or costly $\textit{ab initio}$ sampling, and neglect thermodynamic equilibration with the environment. Machine learning (ML) potentials can accelerate static modeling but often overlook dynamic surface transformations. Here, we extend the Virtual Surface Site Relaxation-Monte Carlo (VSSR-MC) method to autonomously sample surface reconstructions modeled under aqueous electrochemical conditions. Through fine-tuning foundational ML force fields, we accurately and efficiently predict surface energetics, recovering known Pt(111) phases and revealing new LaMnO$_\mathrm{3}$(001) surface reconstructions. By explicitly accounting for bulk-electrolyte equilibria, our framework enhances electrochemical stability predictions, offering a scalable approach to understanding and designing materials for electrochemical applications.

Advanced Large Language Models (LLMs) have revolutionized various fields, including communication networks, sparking an innovation wave that has led to new applications and services, and significantly enhanced solution schemes. Despite all these impressive developments, most LLMs typically require huge computational resources, resulting in terribly high energy consumption. Thus, this research study proposes an end-to-end pipeline that investigates the trade-off between energy efficiency and model performance for an LLM during fault ticket analysis in communication networks. It further evaluates the pipeline performance using two real-world datasets for the tasks of root cause analysis and response feedback in a communication network. Our results show that an appropriate combination of quantization and pruning techniques is able to reduce energy consumption while significantly improving model performance.

The trajectory of intelligence evolution is often framed around the emergence of artificial general intelligence (AGI) and its alignment with human values. This paper challenges that framing by introducing the concept of intelligence sequencing: the idea that the order in which AGI and decentralized collective intelligence (DCI) emerge determines the long-term attractor basin of intelligence. Using insights from dynamical systems, evolutionary game theory, and network models, it argues that intelligence follows a path-dependent, irreversible trajectory. Once development enters a centralized (AGI-first) or decentralized (DCI-first) regime, transitions become structurally infeasible due to feedback loops and resource lock-in. Intelligence attractors are modeled in functional state space as the co-navigation of conceptual and adaptive fitness spaces. Early-phase structuring constrains later dynamics, much like renormalization in physics. This has major implications for AI safety: traditional alignment assumes AGI will emerge and must be controlled after the fact, but this paper argues that intelligence sequencing is more foundational. If AGI-first architectures dominate before DCI reaches critical mass, hierarchical monopolization and existential risk become locked in. If DCI-first emerges, intelligence stabilizes around decentralized cooperative equilibrium. The paper further explores whether intelligence structurally biases itself toward an attractor based on its self-modeling method -- externally imposed axioms (favoring AGI) vs. recursive internal visualization (favoring DCI). Finally, it proposes methods to test this theory via simulations, historical lock-in case studies, and intelligence network analysis. The findings suggest that intelligence sequencing is a civilizational tipping point: determining whether the future is shaped by unbounded competition or unbounded cooperation.

Mathematical reasoning and optimization are fundamental to artificial intelligence and computational problem-solving. Recent advancements in Large Language Models (LLMs) have significantly improved AI-driven mathematical reasoning, theorem proving, and optimization techniques. This survey explores the evolution of mathematical problem-solving in AI, from early statistical learning approaches to modern deep learning and transformer-based methodologies. We review the capabilities of pretrained language models and LLMs in performing arithmetic operations, complex reasoning, theorem proving, and structured symbolic computation. A key focus is on how LLMs integrate with optimization and control frameworks, including mixed-integer programming, linear quadratic control, and multi-agent optimization strategies. We examine how LLMs assist in problem formulation, constraint generation, and heuristic search, bridging theoretical reasoning with practical applications. We also discuss enhancement techniques such as Chain-of-Thought reasoning, instruction tuning, and tool-augmented methods that improve LLM's problem-solving performance. Despite their progress, LLMs face challenges in numerical precision, logical consistency, and proof verification. Emerging trends such as hybrid neural-symbolic reasoning, structured prompt engineering, and multi-step self-correction aim to overcome these limitations. Future research should focus on interpretability, integration with domain-specific solvers, and improving the robustness of AI-driven decision-making. This survey offers a comprehensive review of the current landscape and future directions of mathematical reasoning and optimization with LLMs, with applications across engineering, finance, and scientific research.

In this research, renewable energy expansion in South America up to 2050 is predicted based on machine learning models that are trained on past energy data. The research employs gradient boosting regression and Prophet time series forecasting to make predictions of future generation capacities for solar, wind, hydroelectric, geothermal, biomass, and other renewable sources in South American nations. Model output analysis indicates staggering future expansion in the generation of renewable energy, with solar and wind energy registering the highest expansion rates. Geospatial visualization methods were applied to illustrate regional disparities in the utilization of renewable energy. The results forecast South America to record nearly 3-fold growth in the generation of renewable energy by the year 2050, with Brazil and Chile spearheading regional development. Such projections help design energy policy, investment strategy, and climate change mitigation throughout the region, in helping the developing economies to transition to sustainable energy.

Catherine Menon is a principal lecturer at the University of Hertfordshire. Her research explores the ethics and safety of autonomous systems, and she has a particular interest in the interaction between safety requirements, ethical imperatives and trust constraints in public-facing AI including assistive robots. She has previously worked as a safety-critical systems engineer in the defence and nuclear sectors, and has been involved in producing and validating several international standards for these domains.

This paper proposes a novel robust adaptive model predictive controller for on-orbit dislodging. We consider the scenario where a servicer, equipped with a robot arm, must dislodge a client, a time-varying system composed of an underpowered jammed solar panel with a hybrid hinge system on a space station. Our approach leverages online set-membership identification to reduce the uncertainty to provide robust safety guarantees during dislodging despite bounded disturbances while balancing exploration and exploitation effectively in the parameter space. The feasibility of the developed robust adaptive MPC method is also examined through dislodging simulations and hardware experiments in zero-gravity and gravity environments, respectively. In addition, the advantages of our method are shown through comparison experiments with several state-of-the-art control schemes for both accuracy of parameter estimation and control performance.

Artificial neural networks (ANNs), have become ubiquitous and revolutionized many applications ranging from computer vision to medical diagnoses. However, they offer a fundamentally connectionist and distributed approach to computing, in stark contrast to classical computers that use the von Neumann architecture. This distinction has sparked renewed interest in developing unconventional hardware to support more efficient implementations of ANNs, rather than merely emulating them on traditional systems. Photonics stands out as a particularly promising platform, providing scalability, high speed, energy efficiency, and the ability for parallel information processing. However, fully realized autonomous optical neural networks (ONNs) with in-situ learning capabilities are still rare. In this work, we demonstrate a fully autonomous and parallel ONN using a multimode vertical cavity surface emitting laser (VCSEL) using off-the-shelf components. Our ONN is highly efficient and is scalable both in network size and inference bandwidth towards the GHz range. High performance hardware-compatible optimization algorithms are necessary in order to minimize reliance on external von Neumann computers to fully exploit the potential of ONNs. As such we present and extensively study several algorithms which are broadly compatible with a wide range of systems. We then apply these algorithms to optimize our ONN, and benchmark them using the MNIST dataset. We show that our ONN can achieve high accuracy and convergence efficiency, even under limited hardware resources. Crucially, we compare these different algorithms in terms of scaling and optimization efficiency in term of convergence time which is crucial when working with limited external resources. Our work provides some guidance for the design of future ONNs as well as a simple and flexible way to train them.