Materials
Optimizing Urban Critical Green Space Development Using Machine Learning
Ganjirad, Mohammad, Delavar, Mahmoud Reza, Bagheri, Hossein, Azizi, Mohammad Mehdi
This paper presents a novel framework for prioritizing urban green space development in Tehran using diverse socio-economic, environmental, and sensitivity indices. The indices were derived from various sources including Google Earth Engine, air pollution measurements, municipal reports and the Weather Research & Forecasting (WRF) model. The WRF model was used to estimate the air temperature at a 1 km resolution due to insufficient meteorological stations, yielding RMSE and MAE values of 0.96ยฐC and 0.92ยฐC, respectively. After data preparation, several machine learning models were used for binary vegetation cover classification including XGBoost, LightGBM, Random Forest (RF) and Extra Trees. RF achieved the highest performance, exceeding 94% in Overall Accuracy, Recall, and F1-score. Then, the probability of areas lacking vegetation cover was assessed using socio-economic, environmental and sensitivity indices. This resulted in the RF generating an urban green space development prioritization map. Feature Importance Analysis revealed that the most significant indices were nightly land surface temperature (LST) and sensitive population. Finally, the framework performance was validated through microclimate simulation to assess the critical areas after and before the green space development by green roofs. The simulation demonstrated reducing air temperature by up to 0.67ยฐC after utilizing the green roof technology in critical areas. As a result, this framework provides a valuable tool for urban planners to develop green spaces.
Image-Guided Microstructure Optimization using Diffusion Models: Validated with Li-Mn-rich Cathode Precursors
Choi, Geunho, Lee, Changhwan, Kim, Jieun, Ye, Insoo, Jung, Keeyoung, Park, Inchul
Microstructure often dictates materials performance, yet it is rarely treated as an explicit design variable because microstructure is hard to quantify, predict, and optimize . Here, w e introduce an image centric, closed - loop framework that makes microstructural morphology into a controllable objective and demonstrate its use case with Li - and Mn - rich layered oxide cathode precursors. This work present s an integrated, AI driven framework for the predictive design and optimization of lithium - ion battery cathode precursor synthesis. This framework integrates a diffusion - based image generation model, a quantitative image analysis pipeline, and a particle swarm optimization (PSO) algorithm. By extracting key morphological descriptors such as texture, s phericity, and median particle size (D) from SEM images, the platform accurately predicts SEM like morphologies resulting from specific coprecipitation conditions, including reaction time -, solution concentration -, and pH - dependent structural changes. Optimization then pinpoints synthesis parameters that yield user defined target morphologies, as experimentally validated by the close agreement between predicted and synthesized structures. This framework offers a practical strategy for data driven material s design, enabling both forward prediction and inverse design of synthesis conditions and paving the way toward autonomous, image guided microstructure engineering.
Generative Molecular Design with Steerable and Granular Synthesizability Control
Guo, Jeff, Sabanza-Gil, Vรญctor, Jonฤev, Zlatko, Luterbacher, Jeremy S., Schwaller, Philippe
Synthesizability in small molecule generative design remains a bottleneck. Existing works that do consider synthesizability can output predicted synthesis routes for generated molecules. However, there has been minimal attention in addressing the ease of synthesis and enabling flexibility to incorporate desired reaction constraints. In this work, we propose a small molecule generative design framework that enables steerable and granular synthesizability control. Generated molecules satisfy arbitrary multi-parameter optimization objectives with predicted synthesis routes containing pre-defined allowed reactions, while optionally avoiding others. One can also enforce that all reactions belong to a pre-defined set. We show the capability to mix-and-match these reaction constraints across the most common medicinal chemistry transformations. Next, we show how our framework can be used to valorize industrial byproducts towards de novo optimized molecules. Going further, we demonstrate how granular control over synthesizability constraints can loosely mimic virtual screening of ultra-large make-on-demand libraries. Using only a single GPU, we generate and dock 15k molecules to identify promising candidates in Freedom 4.0 constituting 142B make-on-demand molecules (assessing only 0.00001% of the library). Generated molecules satisfying the reaction constraints have > 90% exact match rate. Lastly, we benchmark our framework against recent synthesizability-constrained generative models and demonstrate the highest sample efficiency even when imposing the additional constraint that all molecules must be synthesizable from a single reaction type. The main theme is demonstrating that a pre-trained generalist molecular generative model can be incentivized to generate property-optimized small molecules under challenging synthesizability constraints through reinforcement learning.
Drones, gold, and threats: Sudan's war raises regional tensions
On May 4, Sudan's paramilitary Rapid Support Forces (RSF) launched a barrage of suicide drones at Port Sudan, the army's de facto wartime capital on the Red Sea. The Sudanese Armed Forces (SAF) accused foreign actors of supporting the RSF's attacks and even threatened to sever ties with one of its biggest trading partners. The RSF surprised many with the strikes. It had used drones before, but never hit targets as far away as Port Sudan, which used to be a haven, until last week. "The strikes โฆ led to a huge displacement from the city. Many people left Port Sudan," Aza Aera, a local relief worker, told Al Jazeera.
3D Characterization of Smoke Plume Dispersion Using Multi-View Drone Swarm
Krishnakumar, Nikil, Sharma, Shashank, Pal, Srijan Kumar, Hong, Jiarong
This study presents an advanced multi-view drone swarm imaging system for the three-dimensional characterization of smoke plume dispersion dynamics. The system comprises a manager drone and four worker drones, each equipped with high-resolution cameras and precise GPS modules. The manager drone uses image feedback to autonomously detect and position itself above the plume, then commands the worker drones to orbit the area in a synchronized circular flight pattern, capturing multi-angle images. The camera poses of these images are first estimated, then the images are grouped in batches and processed using Neural Radiance Fields (NeRF) to generate high-resolution 3D reconstructions of plume dynamics over time. Field tests demonstrated the ability of the system to capture critical plume characteristics including volume dynamics, wind-driven directional shifts, and lofting behavior at a temporal resolution of about 1 s. The 3D reconstructions generated by this system provide unique field data for enhancing the predictive models of smoke plume dispersion and fire spread. Broadly, the drone swarm system offers a versatile platform for high resolution measurements of pollutant emissions and transport in wildfires, volcanic eruptions, prescribed burns, and industrial processes, ultimately supporting more effective fire control decisions and mitigating wildfire risks.
Intuitive Human-Robot Interfaces Leveraging on Autonomy Features for the Control of Highly-redundant Robots
[...] With the TelePhysicalOperation interface, the user can teleoperate the different capabilities of a robot (e.g., single/double arm manipulation, wheel/leg locomotion) by applying virtual forces on selected robot body parts. This approach emulates the intuitiveness of physical human-robot interaction, but at the same time it permits to teleoperate the robot from a safe distance, in a way that resembles a "Marionette" interface. The system is further enhanced with wearable haptic feedback functions to align better with the "Marionette" metaphor, and a user study has been conducted to validate its efficacy with and without the haptic channel enabled. Considering the importance of robot independence, the TelePhysicalOperation interface incorporates autonomy modules to face, for example, the teleoperation of dual-arm mobile base robots for bimanual object grasping and transportation tasks. With the laser-guided interface, the user can indicate points of interest to the robot through the utilization of a simple but effective laser emitter device. With a neural network-based vision system, the robot tracks the laser projection in real time, allowing the user to indicate not only fixed goals, like objects, but also paths to follow. With the implemented autonomous behavior, a mobile manipulator employs its locomanipulation abilities to follow the indicated goals. The behavior is modeled using Behavior Trees, exploiting their reactivity to promptly respond to changes in goal positions, and their modularity to adapt the motion planning to the task needs. The proposed laser interface has also been employed in an assistive scenario. In this case, users with upper limbs impairments can control an assistive manipulator by directing a head-worn laser emitter to the point of interests, to collaboratively address activities of everyday life. [...]
Document Attribution: Examining Citation Relationships using Large Language Models
Rawte, Vipula, Rossi, Ryan A., Dernoncourt, Franck, Lipka, Nedim
As Large Language Models (LLMs) are increasingly applied to document-based tasks - such as document summarization, question answering, and information extraction - where user requirements focus on retrieving information from provided documents rather than relying on the model's parametric knowledge, ensuring the trustworthiness and interpretability of these systems has become a critical concern. A central approach to addressing this challenge is attribution, which involves tracing the generated outputs back to their source documents. However, since LLMs can produce inaccurate or imprecise responses, it is crucial to assess the reliability of these citations. To tackle this, our work proposes two techniques. (1) A zero-shot approach that frames attribution as a straightforward textual entailment task. Our method using flan-ul2 demonstrates an improvement of 0.27% and 2.4% over the best baseline of ID and OOD sets of AttributionBench, respectively. (2) We also explore the role of the attention mechanism in enhancing the attribution process. Using a smaller LLM, flan-t5-small, the F1 scores outperform the baseline across almost all layers except layer 4 and layers 8 through 11.
Seqret: Mining Rule Sets from Event Sequences
Siji, Aleena, Cรผppers, Joscha, Mian, Osman Ali, Vreeken, Jilles
Summarizing event sequences is a key aspect of data mining. Most existing methods neglect conditional dependencies and focus on discovering sequential patterns only. In this paper, we study the problem of discovering both conditional and unconditional dependencies from event sequence data. We do so by discovering rules of the form $X \rightarrow Y$ where $X$ and $Y$ are sequential patterns. Rules like these are simple to understand and provide a clear description of the relation between the antecedent and the consequent. To discover succinct and non-redundant sets of rules we formalize the problem in terms of the Minimum Description Length principle. As the search space is enormous and does not exhibit helpful structure, we propose the Seqret method to discover high-quality rule sets in practice. Through extensive empirical evaluation we show that unlike the state of the art, Seqret ably recovers the ground truth on synthetic datasets and finds useful rules from real datasets.
Automated Knot Detection and Pairing for Wood Analysis in the Timber Industry
Lin, Guohao, Pan, Shidong, Khanbayov, Rasul, Yang, Changxi, Khaloian-Sarnaghi, Ani, Kovryga, Andriy
Knots in wood are critical to both aesthetics and structural integrity, making their detection and pairing essential in timber processing. However, traditional manual annotation was labor-intensive and inefficient, necessitating automation. This paper proposes a lightweight and fully automated pipeline for knot detection and pairing based on machine learning techniques. In the detection stage, high-resolution surface images of wooden boards were collected using industrial-grade cameras, and a large-scale dataset was manually annotated and preprocessed. After the transfer learning, the YOLOv8l achieves an mAP@0.5 of 0.887. In the pairing stage, detected knots were analyzed and paired based on multidimensional feature extraction. A triplet neural network was used to map the features into a latent space, enabling clustering algorithms to identify and pair corresponding knots. The triplet network with learnable weights achieved a pairing accuracy of 0.85. Further analysis revealed that he distances from the knot's start and end points to the bottom of the wooden board, and the longitudinal coordinates play crucial roles in achieving high pairing accuracy. Our experiments validate the effectiveness of the proposed solution, demonstrating the potential of AI in advancing wood science and industry.
Scientific Hypothesis Generation and Validation: Methods, Datasets, and Future Directions
Kulkarni, Adithya, Alotaibi, Fatimah, Zeng, Xinyue, Wu, Longfeng, Zeng, Tong, Yao, Barry Menglong, Liu, Minqian, Zhang, Shuaicheng, Huang, Lifu, Zhou, Dawei
Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of LLM-driven approaches, including symbolic frameworks, generative models, hybrid systems, and multi-agent architectures. We examine techniques such as retrieval-augmented generation, knowledge-graph completion, simulation, causal inference, and tool-assisted reasoning, highlighting trade-offs in interpretability, novelty, and domain alignment. We contrast early symbolic discovery systems (e.g., BACON, KEKADA) with modern LLM pipelines that leverage in-context learning and domain adaptation via fine-tuning, retrieval, and symbolic grounding. For validation, we review simulation, human-AI collaboration, causal modeling, and uncertainty quantification, emphasizing iterative assessment in open-world contexts. The survey maps datasets across biomedicine, materials science, environmental science, and social science, introducing new resources like AHTech and CSKG-600. Finally, we outline a roadmap emphasizing novelty-aware generation, multimodal-symbolic integration, human-in-the-loop systems, and ethical safeguards, positioning LLMs as agents for principled, scalable scientific discovery.