Materials
UAV-UGV Cooperative Trajectory Optimization and Task Allocation for Medical Rescue Tasks in Post-Disaster Environments
Chen, Kaiyuan, Zhao, Wanpeng, Liu, Yongxi, Xia, Yuanqing, Liang, Wannian, Wang, Shuo
In post-disaster scenarios, rapid and efficient delivery of medical resources is critical and challenging due to severe damage to infrastructure. To provide an optimized solution, we propose a cooperative trajectory optimization and task allocation framework leveraging unmanned aerial vehicles (UAVs) and unmanned ground vehicles (UGVs). This study integrates a Genetic Algorithm (GA) for efficient task allocation among multiple UAVs and UGVs, and employs an informed-RRT* (Rapidly-exploring Random Tree Star) algorithm for collision-free trajectory generation. Further optimization of task sequencing and path efficiency is conducted using Covariance Matrix Adaptation Evolution Strategy (CMA-ES). Simulation experiments conducted in a realistic post-disaster environment demonstrate that our proposed approach significantly improves the overall efficiency of medical rescue operations compared to traditional strategies. Specifically, our method reduces the total mission completion time to 26.7 minutes for a 15-task scenario, outperforming K-Means clustering and random allocation by over 73%. Furthermore, the framework achieves a substantial 15.1% reduction in total traveled distance after CMA-ES optimization. The cooperative utilization of UAVs and UGVs effectively balances their complementary advantages, highlighting the system's scalability and practicality for real-world deployment.
10 AI Applications Shaping the Future
More than 350 million tonnes of plastic waste are generated annually. But AI-designed enzymes can "un-bake the cake--turn [plastic] back into the chemical compounds that are used to make it--unlock[ing] infinite recycling applications for all the materials that go to landfill or incineration today," says Jacob Nathan founder and CEO of London-based Epoch Biodesign. It has designed enzymes for the three major plastic groups using machine learning, which could help break down not just textiles, but packaging, and more. The startup, which spun out of Nathan's high school project in 2019 and has since raised 18.3 million, will complete its first production-scale facility later this year, which is expected to be capable of processing 150 tons of waste annually, Nathan says. AI tools that help diagnose strokes, cancers, and other medical conditions are becoming a fixture in healthcare systems around the world.
Contrastive Multi-Task Learning with Solvent-Aware Augmentation for Drug Discovery
Lan, Jing, Ding, Hexiao, Chen, Hongzhao, Jiang, Yufeng, Ng, Nga-Chun, Cheng, Gerald W. Y., Li, Zongxi, Cai, Jing, Lin, Liang-ting, Yoo, Jung Sun
Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple related tasks. To address these limitations, we introduce a pre-training method that incorporates ligand conformational ensembles generated under diverse solvent conditions as augmented input. This design enables the model to learn both structural flexibility and environmental context in a unified manner. The training process integrates molecular reconstruction to capture local geometry, interatomic distance prediction to model spatial relationships, and contrastive learning to build solvent-invariant molecular representations. Together, these components lead to significant improvements, including a 3.7% gain in binding affinity prediction, an 82% success rate on the PoseBusters Astex docking benchmarks, and an area under the curve of 97.1% in virtual screening. The framework supports solvent-aware, multi-task modeling and produces consistent results across benchmarks. A case study further demonstrates sub-angstrom docking accuracy with a root-mean-square deviation of 0.157 angstroms, offering atomic-level insight into binding mechanisms and advancing structure-based drug design.
Advancements in Crop Analysis through Deep Learning and Explainable AI
Rice is a staple food of global importance in terms of trade, nutrition, and economic growth. Among Asian nations such as China, India, Pakistan, Thailand, Vietnam and Indonesia are leading producers of both long and short grain varieties, including basmati, jasmine, arborio, ipsala, and kainat saila. To ensure consumer satisfaction and strengthen national reputations, monitoring rice crops and grain quality is essential. Manual inspection, however, is labour intensive, time consuming and error prone, highlighting the need for automated solutions for quality control and yield improvement. This study proposes an automated approach to classify five rice grain varieties using Convolutional Neural Networks (CNN). A publicly available dataset of 75000 images was used for training and testing. Model evaluation employed accuracy, recall, precision, F1-score, ROC curves, and confusion matrices. Results demonstrated high classification accuracy with minimal misclassifications, confirming the model effectiveness in distinguishing rice varieties. In addition, an accurate diagnostic method for rice leaf diseases such as Brown Spot, Blast, Bacterial Blight, and Tungro was developed. The framework combined explainable artificial intelligence (XAI) with deep learning models including CNN, VGG16, ResNet50, and MobileNetV2. Explainability techniques such as SHAP (SHapley Additive exPlanations) and LIME (Local Interpretable Model-agnostic Explanations) revealed how specific grain and leaf features influenced predictions, enhancing model transparency and reliability. The findings demonstrate the strong potential of deep learning in agricultural applications, paving the way for robust, interpretable systems that can support automated crop quality inspection and disease diagnosis, ultimately benefiting farmers, consumers, and the agricultural economy.
CausalMACE: Causality Empowered Multi-Agents in Minecraft Cooperative Tasks
Chai, Qi, Zheng, Zhang, Ren, Junlong, Ye, Deheng, Lin, Zichuan, Wang, Hao
Minecraft, as an open-world virtual interactive environment, has become a prominent platform for research on agent decision-making and execution. Existing works primarily adopt a single Large Language Model (LLM) agent to complete various in-game tasks. However, for complex tasks requiring lengthy sequences of actions, single-agent approaches often face challenges related to inefficiency and limited fault tolerance. Despite these issues, research on multi-agent collaboration remains scarce. In this paper, we propose CausalMACE, a holistic causality planning framework designed to enhance multi-agent systems, in which we incorporate causality to manage dependencies among subtasks. Technically, our proposed framework introduces two modules: an overarching task graph for global task planning and a causality-based module for dependency management, where inherent rules are adopted to perform causal intervention. Experimental results demonstrate our approach achieves state-of-the-art performance in multi-agent cooperative tasks of Minecraft.
PKG-DPO: Optimizing Domain-Specific AI systems with Physics Knowledge Graphs and Direct Preference Optimization
Kulkarni, Nitin Nagesh, Wilcox, Bryson, Sawa, Max, Thom, Jason
Advancing AI systems in scientific domains like physics, materials science, and engineering calls for reasoning over complex, multi-physics phenomena while respecting governing principles. Although Large Language Models (LLMs) and existing preference optimization techniques perform well on standard benchmarks, they often struggle to differentiate between physically valid and invalid reasoning. This shortcoming becomes critical in high-stakes applications like metal joining, where seemingly plausible yet physically incorrect recommendations can lead to defects, material waste, equipment damage, and serious safety risks. To address this challenge, we introduce PKG-DPO, a novel framework that integrates Physics Knowledge Graphs (PKGs) with Direct Preference Optimization (DPO) to enforce physical validity in AI-generated outputs. PKG-DPO comprises three key components A) hierarchical physics knowledge graph that encodes cross-domain relationships, conservation laws, and thermodynamic principles. B) A physics reasoning engine that leverages structured knowledge to improve discrimination between physically consistent and inconsistent responses. C) A physics-grounded evaluation suite designed to assess compliance with domain-specific constraints. PKG-DPO achieves 17% fewer constraint violations and an 11% higher Physics Score compared to KG-DPO (knowledge graph-based DPO). Additionally, PKG-DPO demonstrates a 12\% higher relevant parameter accuracy and a 7% higher quality alignment in reasoning accuracy. While our primary focus is on metal joining, the framework is broadly applicable to other multi-scale, physics-driven domains, offering a principled approach to embedding scientific constraints into preference learning.
Uni-AIMS: AI-Powered Microscopy Image Analysis
Hong, Yanhui, Wang, Nan, Xia, Zhiyi, Tao, Haoyi, Fang, Xi, Li, Yiming, Wang, Jiankun, Jin, Peng, Cai, Xiaochen, Li, Shengyu, Chen, Ziqi, Zhang, Zezhong, Ke, Guolin, Zhang, Linfeng
This paper presents a systematic solution for the intelligent recognition and automatic analysis of microscopy images. We developed a data engine that generates high-quality annotated datasets through a combination of the collection of diverse microscopy images from experiments, synthetic data generation and a human-in-the-loop annotation process. To address the unique challenges of microscopy images, we propose a segmentation model capable of robustly detecting both small and large objects. The model effectively identifies and separates thousands of closely situated targets, even in cluttered visual environments. Furthermore, our solution supports the precise automatic recognition of image scale bars, an essential feature in quantitative microscopic analysis. Building upon these components, we have constructed a comprehensive intelligent analysis platform and validated its effectiveness and practicality in real-world applications. This study not only advances automatic recognition in microscopy imaging but also ensures scalability and generalizability across multiple application domains, offering a powerful tool for automated microscopic analysis in interdisciplinary research. A online application is made available for researchers to access and evaluate the proposed automated analysis service.
Explainable Prediction of the Mechanical Properties of Composites with CNNs
Raaghav, Varun, Bikos, Dimitrios, Rago, Antonio, Toni, Francesca, Charalambides, Maria
Composites are amongst the most important materials manufactured today, as evidenced by their use in countless applications. In order to establish the suitability of composites in specific applications, finite element (FE) modelling, a numerical method based on partial differential equations, is the industry standard for assessing their mechanical properties. However, FE modelling is exceptionally costly from a computational viewpoint, a limitation which has led to efforts towards applying AI models to this task. However, in these approaches: the chosen model architectures were rudimentary, feed-forward neural networks giving limited accuracy; the studies focused on predicting elastic mechanical properties, without considering material strength limits; and the models lacked transparency, hindering trustworthiness by users. In this paper, we show that convolutional neural networks (CNNs) equipped with methods from explainable AI (XAI) can be successfully deployed to solve this problem. Our approach uses customised CNNs trained on a dataset we generate using transverse tension tests in FE modelling to predict composites' mechanical properties, i.e., Y oung's modulus and yield strength. We show empirically that our approach achieves high accuracy, outperforming a baseline, ResNet-34, in estimating the mechanical properties. We then use SHAP and Integrated Gradients, two post-hoc XAI methods, to explain the predictions, showing that the CNNs use the critical geometrical features that influence the composites' behaviour, thus allowing engineers to verify that the models are trustworthy by representing the science of composites.
DSADF: Thinking Fast and Slow for Decision Making
Dou, Zhihao, Cui, Dongfei, Yan, Jun, Wang, Weida, Chen, Benteng, Wang, Haoming, Xie, Zeke, Zhang, Shufei
Although Reinforcement Learning (RL) agents are effective in well-defined environments, they often struggle to generalize their learned policies to dynamic settings due to their reliance on trial-and-error interactions. Recent work has explored applying Large Language Models (LLMs) or Vision Language Models (VLMs) to boost the generalization of RL agents through policy optimization guidance or prior knowledge. However, these approaches often lack seamless coordination between the RL agent and the foundation model, leading to unreasonable decision-making in unfamiliar environments and efficiency bottlenecks. Making full use of the inferential capabilities of foundation models and the rapid response capabilities of RL agents and enhancing the interaction between the two to form a dual system is still a lingering scientific question. To address this problem, we draw inspiration from Kahneman's theory of fast thinking (System 1) and slow thinking (System 2), demonstrating that balancing intuition and deep reasoning can achieve nimble decision-making in a complex world. In this study, we propose a Dual-System Adaptive Decision Framework (DSADF), integrating two complementary modules: System 1, comprising an RL agent and a memory space for fast and intuitive decision making, and System 2, driven by a VLM for deep and analytical reasoning. DSADF facilitates efficient and adaptive decision-making by combining the strengths of both systems. The empirical study in the video game environment: Crafter and Housekeep demonstrates the effectiveness of our proposed method, showing significant improvements in decision abilities for both unseen and known tasks.
SurveyGen: Quality-Aware Scientific Survey Generation with Large Language Models
Bao, Tong, Nayeem, Mir Tafseer, Rafiei, Davood, Zhang, Chengzhi
Automatic survey generation has emerged as a key task in scientific document processing. While large language models (LLMs) have shown promise in generating survey texts, the lack of standardized evaluation datasets critically hampers rigorous assessment of their performance against human-written surveys. In this work, we present SurveyGen, a large-scale dataset comprising over 4,200 human-written surveys across diverse scientific domains, along with 242,143 cited references and extensive quality-related metadata for both the surveys and the cited papers. Leveraging this resource, we build QUAL-SG, a novel quality-aware framework for survey generation that enhances the standard Retrieval-Augmented Generation (RAG) pipeline by incorporating quality-aware indicators into literature retrieval to assess and select higher-quality source papers. Using this dataset and framework, we systematically evaluate state-of-the-art LLMs under varying levels of human involvement - from fully automatic generation to human-guided writing. Experimental results and human evaluations show that while semi-automatic pipelines can achieve partially competitive outcomes, fully automatic survey generation still suffers from low citation quality and limited critical analysis.