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Papers 6,931–6,960 of 6,967

MatCreatioNN: Machine learning-guided computational discovery of photocatalysts for environmental applications
Jul 29, 2026Satya KokondaHeterogeneous Catalysis
Department of Chemistry, School of Engineering, Charter School of Wilmington, 100 N Dupont Rd, Wilmington, DE 19807, United States of America
PIER: Physics-Informed Environmental Retrieval for Time-Series Modeling
Jul 22, 2026Shiyuan Luo, Runlong Yu, Chonghao Qiu +6Physics-Informed Machine Learning Physics-Aware Models
University of Pittsburgh · University of Alabama · University of Minnesota +3
WuYu-EnvLE-Bench: A Benchmark for Evaluating Large Language Models in Environmental Law Enforcement
Jul 20, 2026Ziliang Yang, Yi Zhang, Kaijun Lin +3Structural Enforcement Bottlenecks
School of Environment, Tsinghua University · College of Economics and Management, Beijing University of Technology · State Key Laboratory of Iron and Steel Industry Environmental Protection, School of Environment, Tsinghua University +1
PC-Mix: Partial-Component Audio Spoofing Detection under Mixed Speech and Environmental Sound Conditions
Jul 11, 2026Zhenshan Zhang, Xueping Zhang, Linxi Li +2Spoofed Speech Mix
Digital Innovation Research Center, Duke Kunshan University, Kunshan, China · OfSpectrum, Inc., Los Angeles, USA · School of Artificial Intelligence, The Chinese University of Hong Kong, Shenzhen, China
Evaluating the Generalizability of Foundation Models for Extreme Environmental Events: Case Study of California Wildfire PM2.5
Jul 8, 2026Yongcan Huang, Li Jiang, Ze Yu LiuWildfire Prediction Time Series Foundation Models
College of Engineering, University of Georgia, Athens, Georgia, USA · Information System Department, UMBC, Baltimore, Maryland, USA · College of Graduate and Professional Studies, Trine University, Angola, Indiana, USA +1
Probing Geospatial SSL Representations with Environmental Signals
Jul 6, 2026Rohita Mocharla, Vishal M. PatelSpatial Representation Self-Supervised Representations
Johns Hopkins Applied Physics Laboratory · Johns Hopkins University · Laurel, MD +1
Environmental Drivers of Respiratory Disease: A District Level Analysis
Jul 5, 2026Rahim Iqbal, Asfi Ahamed, Izzath Nisfer +6Air Pollution Respiratory Sound Classification
Dept. of Computer Science & Engineering, University of Moratuwa, Sri Lanka.
Context-Aware Hierarchical Bayesian Modeling of IVF Laboratory Environmental Conditions
Jun 18, 2026Zahra Asghari Varzaneh, Reza Khoshkangini, Pia Saldeen +2Reproduction Bayesian
Department of Computer Science and Media Technology, Malmö University, Malmö, Sweden · Nordic IVF, Sweden · NewLifeAid-Global AB, Sweden +1
The Hidden Environmental Cost of Poor Coding Practices in TensorFlow and Keras Applications: A Study on Resource Leaks and Carbon Emissions
Jun 18, 2026Bashar Abdallah, Gustavo Santos, Rola Al Bataineh +2Carbon Emissions Machine Learning
Department of Computer Engineering and Software Engineering, Polytechnique Montréal Montréal, Canada · Department of IT and Software Engineering, École de Technologie Supérieure (ETS), Université du Québec Montréal, Canada
AI for Social Good: An Investigation of the Causal Relationship Between Environmental Regulations and Their Effects on Air Pollution in London, UK
Jun 13, 2026Yang Han, Jacqueline CK Lam, Victor OK Li +1Air Pollution Causal Reasoning
Department of Electrical and Electronic Engineering, The University of Hong Kong, Hong Kong
GeoNatureAgent Benchmark: Benchmarking LLM Agents for Environmental Geospatial Analysis Across Frontier and Open-Weight Foundation Models
Jun 11, 2026Gabriel Diaz-Ireland, Diego Prieto-Herráez, Mario García Peces +2Geospatial Large Language Model Agents
Universidad Católica de Ávila (UCAV) Ávila, Spain · Johns Hopkins University Baltimore, MD, USA · Independent Researcher Madrid, Spain +1
STELLAR: Spatio-Temporal Environmental Learning with Latent Alignment and Refinement for Long-Tailed Species Distribution Modeling
Jun 7, 2026Shufeng Kong, Tao Yu, Yuanyuan Wei +6Spatiotemporal Representations Complex Networks
School of Software Engineering, Sun Yat-sen University, Zhuhai, China · School of Computer Science and Artificial Intelligence, Foshan University, Foshan, China · Department of Ecology and Evolutionary Biology, Cornell University, Ithaca, NY, USA +2
Greener Than Humans? Environmental Attitudes in Large Language Models
Jun 1, 2026Stefanie Kunkel, Tilman Hartwig, Marcus Voss +2Sustainability Behavioral Alignment
Research Institute for Sustainability at GFZ Centre for Geosciences, Berliner Straße 130, 14467 Potsdam, Germany · German Environment Agency, Wörlitzer Platz 1, 06844 Dessau-Roßlau, Germany · Birds on Mars, Marienstraße 10, 10117 Berlin, Germany
E $^3$ C: Video Generation with 3D Environmental Memory and Ego-Exo Human Pose Control
May 25, 2026Qiao Gu, Lingni Ma, Adam W Harley +3Controllable Video Generation Egocentric Video
Meta Reality Labs, Redmond, WA 98052, USA · University of Toronto, Toronto, ON M5S 1A1, Canada
Speed-Weighted Adaptive Flocking for Sailing Swarms under Dynamic Environmental Forcing
May 19, 2026Pranav Kedia, Aaron Gan, Hannah J. Williams +2Swarms Advanced Jet Trainer
Centre for the Advanced Study of Collective Behaviour, Konstanz, Germany · Dep. of Computer and Information Science, University of Konstanz, Germany · University of Pittsburgh, Pittsburgh, USA +2
Accurate, Efficient, and Explainable Deep Learning Approaches for Environmental Science Problems
May 19, 2026Jimeng ShiAccurate Flood Prediction Environment
FLORIDA INTERNATIONAL UNIVERSITY Miami, Florida
Quantification of atmospheric carbon dioxide from the Geostationary Operational Environmental Satellite (GOES East)
May 17, 2026Aaron Sonabend-W, Sean Campbell, John Platt +2Carbon Emissions Satellite
Google Research · Google Ads · Carnegie Institution for Science
Introducing Environmental Constraints to Grasping Strategies for Paper-Like Flexible Materials Using a Soft Gripper
May 12, 2026Yi Dong, Yang Li, Jinjun Duan +1Gripper Grasps
College of Mechanical and Electrical Engineering, Nanjing University of Aeronautics and Astronautics, 29 Yudao Street, Nanjing, 211106, Jiangsu, China. · Jiangsu Key Laboratory of Bionic Materials and Equipment, Nanjing University of Aeronautics and Astronautics, 29 Yudao Street, Nanjing, 211106, Jiangsu, China.
Event-Based Early Warning of Vineyard Disease Risk from Environmental Time Series
May 6, 2026Ivica Dimitrovski, Ivan Kitanovski, Danco Davcev +2Early Warning Time Series
Faculty of Computer Science and Engineering University Ss Cyril and Methodius Skopje 1000, North Macedonia
HARMES: A Multi-Modal Dataset for Wearable Human Activity Recognition with Motion, Environmental Sensing and Sound
May 4, 2026Robin Burchard, Pascal-André Brückner, Marius Bock +2Human Activity Recognition Wearable Devices
University of Siegen, Siegen, Germany · University of Bonn and & Lamarr Institute for Machine Learning and Artificial Intelligence, Bonn, Germany
The Environmental Cost of LLMs in AIED: Reporting and Practices
May 3, 2026Sabrina C. Eimler, Lukas Erle, Daniel Flood +5Artificial Intelligence Infrastructure Artificial Intelligence Literacy
Institute of Computer Science and Institute of Positive Computing, Ruhr West University of Applied Sciences, Lützowstraße 5, 46236 Bottrop, Germany · Centre for Computational Science and Mathematical Modelling, Coventry2026 University, Coventry, United Kindgom, CV1 5FB · Carnegie Mellon University +1
Benchmarking ResNet Backbones in RT-DETR: Impact of Depth and Regularization under environmental conditions
May 1, 2026Pamela Barboza, Víctor Castelli, Belén Pereira +3Rt-Detr Resnet-18
1, Robotics and Artificial Intelligence Laboratory, Technological University of Uruguay, Rivera, Uruguay
Anomaly Detection in Soil Heavy Metal Contamination Using Unsupervised Learning for Environmental Risk Assessment
Apr 29, 2026Isaac Tettey Adjokatse, Samuel Senyo Koranteng, George Yamoah Afrifa +6Anomaly Detection Soil
Institute of Environment and Sanitation Studies University of Ghana Legon, Accra, Ghana · Ghana Space Science and Technology Institute Accra, Ghana · Department of Mathematics Rhodes University, Grahamstown, South Africa +2
Revealing Geography-Driven Signals in Zone-Level Claim Frequency Models: An Empirical Study using Environmental and Visual Predictors
Apr 23, 2026Sherly Alfonso-Sánchez, Cristián Bravo, Kristina G. StankovaGlobal Spatial Information Empirical Study
Department of Statistical and Actuarial Sciences, Western University, 1151 Richmond Street, London, Ontario, N6A 5B7, Canada. · Departamento de Matem´aticas, Universidad Nacional de Colombia. Ave Cra 30 #45-03, Edificio 404. Bogot´a, Colombia.
Environmental Sound Deepfake Detection Using Deep-Learning Framework
Apr 21, 2026Khoi Vu, Dat Tran, Khanh Do +8Audio Deepfake Detection Sonification
FPT University, Vietnam · HCM University of Technology, Vietnam · TDT University, Vietnam +3
Characterizing AlphaEarth Embedding Geometry for Agentic Environmental Reasoning
Apr 20, 2026Mashrekur Rahman, Samuel J. Barrett, Christina LastEmbedding Dimension Environment
Dartmouth Libraries, Dartmouth College, Hanover, 03755, NH, USA. · LGND AI, Canarias, Spain. · TipplyAI, London, UK.
Implicit neural representations as a coordinate-based framework for continuous environmental field reconstruction from sparse ecological observations
Apr 20, 2026Agnieszka Pregowska, Hazem M. KalajiNeural Fields Implicit Neural Representations
Institute of Fundamental Technological Research, Polish Academy of Sciences, Pawinskiego 5B, Warsaw, 02-106, Poland · Department of Plant Physiology, Institute of Biology, Warsaw University of Life Science, 159 Nowoursynowska St, Warsaw, 02-776, Poland · Institute of Technology and Life Sciences Falenty, Al. Hrabska 3, Raszyn, 05-090, Poland
Autonomous Search for Sparsely Distributed Visual Phenomena through Environmental Context Modeling
Mar 10, 2026Eric Chen, Travis Manderson, Nare Karapetyan +3Autonomous Underwater Vehicles Dinov3
Massachusetts Institute of Technology and Woods Hole Oceanographic Institution · Massachusetts Institute of Technology · Woods Hole Oceanographic Institution +1
AI-Driven Predictive Maintenance with Environmental Context Integration for Connected Vehicles: Simulation, Benchmarking, and Field Validation
Mar 7, 2026Kushal Khemani, Anjum Nazir QureshiPredictive Maintenance V2X
Independent Researcher, India · Rajiv Gandhi College of Engineering Research and Technology · Rajiv Gandhi College of Engineering Research and Technology, Chandrapur, India
The Environmental Impacts of Language Model Training Keep Rising Now is the Time to Catch Impacts on the Rebound
Oct 10, 2025Clément Morand, Anne-Laure Ligozat, Aurélie NévéolLarge Models Carbon Emissions
STL · Université Paris-Saclay, CNRS, LISN · ENSIIE, LISN, STL +2

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MatCreatioNN: Machine learning-guided computational discovery of photocatalysts for environmental applications

Satya Kokonda

Department of Chemistry, School of Engineering, Charter School of Wilmington, 100 N Dupont Rd, Wilmington, DE 19807, United States of America

Heterogeneous Catalysis

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The rational design of photocatalysts for environmental remediation and CO2 conversion remains limited by the high computational cost and sparse experimental data describing multi-parameter photocatalytic behavior. This work presents an integrated machine-learning framework that couples reinforcement learning-based metal-organic framework (MOF) generation with a multi-stage Crystal Graph Convolutional Neural Network (CGCNN) prediction funnel to identify photocatalysts optimized across multiple electronic and structural features. 120,000 MOF candidates were generated and screened using 13 key descriptors, including band-gap suitability, CO2/H2O selectivity, adsorption energy, and structural stability. The funnel approach reduced computational cost by 4.13-fold while maintaining predictive robustness. Two top candidates, a Cr-based and a Zn-based MOF, exhibited predicted photocatalytic fitness values of 1.70 +/- 0.25 and 1.20 +/- 0.05 fold higher respectively than benchmark materials such as PCN-224(Zr), demonstrating simultaneous improvements in light absorption, redox energetics, and framework durability. Simulated X-ray diffraction patterns confirmed strong structural agreement with experimentally synthesized MOFs, indicating high synthesizability. Post-hoc analysis revealed recurring structural motifs, such as the N262 metal cluster, that correlated strongly with high predicted photocatalytic activity. These results highlight the potential of data-driven methods to accelerate discovery of efficient and durable photocatalysts for environmental and energy-related transformations, providing a foundation for experimental realization and large-scale implementation of computationally designed MOFs.