We propose an interpretable machine learning framework to help identify trade data discrepancies that are challenging to detect with traditional methods. Our system analyzes trade data to find a novel inverse price-volume signature, a pattern where reported volumes increase as average unit prices decrease. The model achieves 0.9375 accuracy and was validated by comparing large-scale UN data with detailed firm-level data, confirming that the risk signatures are consistent. This scalable tool provides customs authorities with a transparent, data-driven method to shift from conventional to priority-based inspection protocols, translating complex data into actionable intelligence to support international environmental policies.

Evacuation simulation is essential for building safety design, ensuring properly planned evacuation routes. However, traditional evacuation simulation relies heavily on refined modeling with extensive parameters, making it challenging to adopt such methods in a rapid iteration process in early design stages. Thus, this study proposes DiffEvac, a novel method to learn building evacuation patterns based on Generative Models (GMs), for efficient evacuation simulation and enhanced safety design. Initially, a dataset of 399 diverse functional layouts and corresponding evacuation heatmaps of buildings was established. Then, a decoupled feature representation is proposed to embed physical features like layouts and occupant density for GMs. Finally, a diffusion model based on image prompts is proposed to learn evacuation patterns from simulated evacuation heatmaps. Compared to existing research using Conditional GANs with RGB representation, DiffEvac achieves up to a 37.6% improvement in SSIM, 142% in PSNR, and delivers results 16 times faster, thereby cutting simulation time to 2 minutes. Case studies further demonstrate that the proposed method not only significantly enhances the rapid design iteration and adjustment process with efficient evacuation simulation but also offers new insights and technical pathways for future safety optimization in intelligent building design. The research implication is that the approach lowers the modeling burden, enables large-scale what-if exploration, and facilitates coupling with multi-objective design tools.

Phase retrieval in inline holography is a fundamental yet ill-posed inverse problem due to the nonlinear coupling between amplitude and phase in coherent imaging. We present a novel off-the-shelf solution that leverages a diffusion model trained solely on object amplitude to recover both amplitude and phase from diffraction intensities. Using a predictor-corrector sampling framework with separate likelihood gradients for amplitude and phase, our method enables complex field reconstruction without requiring ground-truth phase data for training. We validate the proposed approach through extensive simulations and experiments, demonstrating robust generalization across diverse object shapes, imaging system configurations, and modalities, including lensless setups. Notably, a diffusion prior trained on simple amplitude data (e.g., polystyrene beads) successfully reconstructs complex biological tissue structures, highlighting the method's adaptability. This framework provides a cost-effective, generalizable solution for nonlinear inverse problems in computational imaging, and establishes a foundation for broader coherent imaging applications beyond holography.

Process-structure-property relationships are fundamental in materials science and engineering and are key to the development of new and improved materials. Symbolic regression serves as a powerful tool for uncovering mathematical models that describe these relationships. It can automatically generate equations to predict material behaviour under specific manufacturing conditions and optimize performance characteristics such as strength and elasticity. The present work illustrates how symbolic regression can derive constitutive models that describe the behaviour of various metallic alloys during plastic deformation. Constitutive modelling is a mathematical framework for understanding the relationship between stress and strain in materials under different loading conditions. In this study, two materials (age-hardenable aluminium alloy and high-chromium martensitic steel) and two different testing methods (compression and tension) are considered to obtain the required stress-strain data. The results highlight the benefits of using symbolic regression while also discussing potential challenges.

Point defects govern many important functional properties of two - dimensional ( 2D) materials. However, resolving the three - dimensional (3D) arrangement of these defects in multi - layer 2D materials remains a fundamental challenge, hindering rational defect engineering . Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their dist ribution that can be correlated with specinullic synthesis pathways. This large - scale data enables us to classify a hierarchy of defect structures -- from isolated vacancies to nanopores -- revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations . This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect - engineered functional 2D materials. Keywords: 2D materials, point defects, autonomous materials science, electron microscopy, machine learning 2 Two - dimensional (2D) materials have become a major nullield of modern research in materials science after the discovery of graphene in 2004 . The challenge of characterizing point defects is signinullicantly amplinullied in few - layered 2D materials. For instance, MXenes -- a class of 2D transition metal carbides, carbonitrides, and nitrides -- consist of nanosheets containing two to nullive layers of metal ato ms, which complicates defect analysis compared to single - layer materials .

The open-pit mine scheduling problem (OPMSP) is a complex, computationally expensive process in long-term mine planning, constrained by operational and geological dependencies. Traditional deterministic approaches often ignore geological uncertainty, leading to suboptimal and potentially infeasible production schedules. Chance constraints allow modeling of stochastic components by ensuring probabilistic constraints are satisfied with high probability. This paper presents a bi-objective formulation of the OPMSP that simultaneously maximizes expected net present value and minimizes scheduling risk, independent of the confidence level required for the constraint. Solutions are represented using integer encoding, inherently satisfying reserve constraints. We introduce a domain-specific greedy randomized initialization and a precedence-aware period-swap mutation operator. We integrate these operators into three multi-objective evolutionary algorithms: the global simple evolutionary multi-objective optimizer (GSEMO), a mutation-only variant of multi-objective evolutionary algorithm based on decomposition (MOEA/D), and non-dominated sorting genetic algorithm II (NSGA-II). We compare our bi-objective formulation against the single-objective approach, which depends on a specific confidence level, by analyzing mine deposits consisting of up to 112 687 blocks. Results demonstrate that the proposed bi-objective formulation yields more robust and balanced trade-offs between economic value and risk compared to single-objective, confidence-dependent approach.

Abstract--Weeds significantly reduce crop yields worldwide and pose major challenges to sustainable agriculture. Traditional weed management methods, primarily relying on chemical herbicides, risk environmental contamination and lead to the emergence of herbicide-resistant species. Precision weeding, leveraging computer vision and machine learning methods, offers a promising eco-friendly alternative but is often limited by reliance on high-power computational platforms. This work presents an optimized, low-power edge AI system for weeds detection based on the YOLOv8n object detector deployed on the STM32U575ZI microcontroller . Several compression techniques are applied to the detection model, including structured pruning, integer quantization and input image resolution scaling in order to meet strict hardware constraints. The model is trained and evaluated on the CropAndWeed dataset with 74 plant species, achieving a balanced trade-off between detection accuracy and efficiency. Our system supports real-time, in-situ weeds detection with a minimal energy consumption of 51.8mJ per inference, enabling scalable deployment in power-constrained agricultural environments. EEDS are widespread and persistent plants, known for their rapid reproduction and effective seed dispersal strategies. They are among the primary contributors to crop yield loss globally, posing a significant challenge for farmers and agricultural stakeholders [1].

Transitioning to sustainable and resilient energy systems requires navigating complex and interdependent trade-offs across environmental, social, and resource dimensions. Neglecting these trade-offs can lead to unintended consequences across sectors. However, existing assessments often evaluate emerging energy pathways and their impacts in silos, overlooking critical interactions such as regional resource competition and cumulative impacts. We present an integrated modeling framework that couples agent-based modeling and Life Cycle Assessment (LCA) to simulate how energy transition pathways interact with regional resource competition, ecological constraints, and community-level burdens. We apply the model to a case study in Southern California. The results demonstrate how integrated and multiscale decision making can shape energy pathway deployment and reveal spatially explicit trade-offs under scenario-driven constraints. This modeling framework can further support more adaptive and resilient energy transition planning on spatial and institutional scales.

Bringing generative AI into the architecture, engineering and construction (AEC) field requires systems that can translate natural language instructions into actions on standardized data models. We present MCP4IFC, a comprehensive open-source framework that enables Large Language Models (LLMs) to directly manipulate Industry Foundation Classes (IFC) data through the Model Context Protocol (MCP). The framework provides a set of BIM tools, including scene querying tools for information retrieval, predefined functions for creating and modifying common building elements, and a dynamic code-generation system that combines in-context learning with retrieval-augmented generation (RAG) to handle tasks beyond the predefined toolset. Experiments demonstrate that an LLM using our framework can successfully perform complex tasks, from building a simple house to querying and editing existing IFC data. Our framework is released as open-source to encourage research in LLM-driven BIM design and provide a foundation for AI-assisted modeling workflows. Our code is available at https://show2instruct.github.io/mcp4ifc/.

Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Here, we introduce ChemBOMAS: a large language model (LLM)-enhanced multi-agent system that accelerates BO through synergistic data- and knowledge-driven strategies. Firstly, the data-driven strategy involves an 8B-scale LLM regressor fine-tuned on a mere 1% labeled samples for pseudo-data generation, robustly initializing the optimization process. Secondly, the knowledge-driven strategy employs a hybrid Retrieval-Augmented Generation approach to guide LLM in dividing the search space while mitigating LLM hallucinations. An Upper Confidence Bound algorithm then identifies high-potential subspaces within this established partition. Across the LLM-refined subspaces and supported by LLM-generated data, BO achieves the improvement of effectiveness and efficiency. Comprehensive evaluations across multiple scientific benchmarks demonstrate that ChemBOMAS set a new state-of-the-art, accelerating optimization efficiency by up to 5-fold compared to baseline methods.