Energy
RingMo-Aerial: An Aerial Remote Sensing Foundation Model With A Affine Transformation Contrastive Learning
Diao, Wenhui, Yu, Haichen, Kang, Kaiyue, Ling, Tong, Liu, Di, Feng, Yingchao, Bi, Hanbo, Ren, Libo, Li, Xuexue, Mao, Yongqiang, Sun, Xian
Aerial Remote Sensing (ARS) vision tasks pose significant challenges due to the unique characteristics of their viewing angles. Existing research has primarily focused on algorithms for specific tasks, which have limited applicability in a broad range of ARS vision applications. This paper proposes the RingMo-Aerial model, aiming to fill the gap in foundation model research in the field of ARS vision. By introducing the Frequency-Enhanced Multi-Head Self-Attention (FE-MSA) mechanism and an affine transformation-based contrastive learning pre-training method, the model's detection capability for small targets is enhanced and optimized for the tilted viewing angles characteristic of ARS. Furthermore, the ARS-Adapter, an efficient parameter fine-tuning method, is proposed to improve the model's adaptability and effectiveness in various ARS vision tasks. Experimental results demonstrate that RingMo-Aerial achieves SOTA performance on multiple downstream tasks. This indicates the practicality and effectiveness of RingMo-Aerial in enhancing the performance of ARS vision tasks.
Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks
Peng, Jiayu, Damewood, James, Karaguesian, Jessica, Lunger, Jaclyn R., Gómez-Bombarelli, Rafael
Graph convolutional neural networks (GCNNs) have become a machine learning workhorse for screening the chemical space of crystalline materials in fields such as catalysis and energy storage, by predicting properties from structures. Multicomponent materials, however, present a unique challenge since they can exhibit chemical (dis)order, where a given lattice structure can encompass a variety of elemental arrangements ranging from highly ordered structures to fully disordered solid solutions. Critically, properties like stability, strength, and catalytic performance depend not only on structures but also on orderings. To enable rigorous materials design, it is thus critical to ensure GCNNs are capable of distinguishing among atomic orderings. However, the ordering-aware capability of GCNNs has been poorly understood. Here, we benchmark various neural network architectures for capturing the ordering-dependent energetics of multicomponent materials in a custom-made dataset generated with high-throughput atomistic simulations. Conventional symmetry-invariant GCNNs were found unable to discern the structural difference between the diverse symmetrically inequivalent atomic orderings of the same material, while symmetry-equivariant model architectures could inherently preserve and differentiate the distinct crystallographic symmetries of various orderings.
LiDAR-based Quadrotor for Slope Inspection in Dense Vegetation
Liu, Wenyi, Ren, Yunfan, Guo, Rui, Kong, Vickie W. W., Hung, Anthony S. P., Zhu, Fangcheng, Cai, Yixi, Zou, Yuying, Zhang, Fu
This work presents a LiDAR-based quadrotor system for slope inspection in dense vegetation environments. Cities like Hong Kong are vulnerable to climate hazards, which often result in landslides. To mitigate the landslide risks, the Civil Engineering and Development Department (CEDD) has constructed steel flexible debris-resisting barriers on vulnerable natural catchments to protect residents. However, it is necessary to carry out regular inspections to identify any anomalies, which may affect the proper functioning of the barriers. Traditional manual inspection methods face challenges and high costs due to steep terrain and dense vegetation. Compared to manual inspection, unmanned aerial vehicles (UAVs) equipped with LiDAR sensors and cameras have advantages such as maneuverability in complex terrain, and access to narrow areas and high spots. However, conducting slope inspections using UAVs in dense vegetation poses significant challenges. First, in terms of hardware, the overall design of the UAV must carefully consider its maneuverability in narrow spaces, flight time, and the types of onboard sensors required for effective inspection. Second, regarding software, navigation algorithms need to be designed to enable obstacle avoidance flight in dense vegetation environments. To overcome these challenges, we develop a LiDAR-based quadrotor, accompanied by a comprehensive software system. The goal is to deploy our quadrotor in field environments to achieve efficient slope inspection. To assess the feasibility of our hardware and software system, we conduct functional tests in non-operational scenarios. Subsequently, invited by CEDD, we deploy our quadrotor in six field environments, including five flexible debris-resisting barriers located in dense vegetation and one slope that experienced a landslide. These experiments demonstrated the superiority of our quadrotor in slope inspection.
Prithvi WxC: Foundation Model for Weather and Climate
Schmude, Johannes, Roy, Sujit, Trojak, Will, Jakubik, Johannes, Civitarese, Daniel Salles, Singh, Shraddha, Kuehnert, Julian, Ankur, Kumar, Gupta, Aman, Phillips, Christopher E, Kienzler, Romeo, Szwarcman, Daniela, Gaur, Vishal, Shinde, Rajat, Lal, Rohit, Da Silva, Arlindo, Diaz, Jorge Luis Guevara, Jones, Anne, Pfreundschuh, Simon, Lin, Amy, Sheshadri, Aditi, Nair, Udaysankar, Anantharaj, Valentine, Hamann, Hendrik, Watson, Campbell, Maskey, Manil, Lee, Tsengdar J, Moreno, Juan Bernabe, Ramachandran, Rahul
Triggered by the realization that AI emulators can rival the performance of traditional numerical weather prediction models running on HPC systems, there is now an increasing number of large AI models that address use cases such as forecasting, downscaling, or nowcasting. While the parallel developments in the AI literature focus on foundation models -- models that can be effectively tuned to address multiple, different use cases -- the developments on the weather and climate side largely focus on single-use cases with particular emphasis on mid-range forecasting. We close this gap by introducing Prithvi WxC, a 2.3 billion parameter foundation model developed using 160 variables from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2). Prithvi WxC employs an encoder-decoder-based architecture, incorporating concepts from various recent transformer models to effectively capture both regional and global dependencies in the input data. The model has been designed to accommodate large token counts to model weather phenomena in different topologies at fine resolutions. Furthermore, it is trained with a mixed objective that combines the paradigms of masked reconstruction with forecasting. We test the model on a set of challenging downstream tasks namely: Autoregressive rollout forecasting, Downscaling, Gravity wave flux parameterization, and Extreme events estimation. The pretrained model with 2.3 billion parameters, along with the associated fine-tuning workflows, has been publicly released as an open-source contribution via Hugging Face.
Closed-loop shape control of deformable linear objects based on Cosserat model
Artinian, Azad, Amar, Faiz Ben, Perdereau, Veronique
The robotic shape control of deformable linear objects has garnered increasing interest within the robotics community. Despite recent progress, the majority of shape control approaches can be classified into two main groups: open-loop control, which relies on physically realistic models to represent the object, and closed-loop control, which employs less precise models alongside visual data to compute commands. In this work, we present a novel 3D shape control approach that includes the physically realistic Cosserat model into a closed-loop control framework, using vision feedback to rectify errors in real-time. This approach capitalizes on the advantages of both groups: the realism and precision provided by physics-based models, and the rapid computation, therefore enabling real-time correction of model errors, and robustness to elastic parameter estimation inherent in vision-based approaches. This is achieved by computing a deformation Jacobian derived from both the Cosserat model and visual data. To demonstrate the effectiveness of the method, we conduct a series of shape control experiments where robots are tasked with deforming linear objects towards a desired shape.
A User Study on Contrastive Explanations for Multi-Effector Temporal Planning with Non-Stationary Costs
Liu, Xiaowei, McAreavey, Kevin, Liu, Weiru
In this paper, we adopt constrastive explanations within an end-user application for temporal planning of smart homes. In this application, users have requirements on the execution of appliance tasks, pay for energy according to dynamic energy tariffs, have access to high-capacity battery storage, and are able to sell energy to the grid. The concurrent scheduling of devices makes this a multi-effector planning problem, while the dynamic tariffs yield costs that are non-stationary (alternatively, costs that are stationary but depend on exogenous events). These characteristics are such that the planning problems are generally not supported by existing PDDL-based planners, so we instead design a custom domain-dependent planner that scales to reasonable appliance numbers and time horizons. We conduct a controlled user study with 128 participants using an online crowd-sourcing platform based on two user stories. Our results indicate that users provided with contrastive questions and explanations have higher levels of satisfaction, tend to gain improved understanding, and rate the helpfulness more favourably with the recommended AI schedule compared to those without access to these features.
Hydrogen under Pressure as a Benchmark for Machine-Learning Interatomic Potentials
Bischoff, Thomas, Jäckl, Bastian, Rupp, Matthias
Machine-learning interatomic potentials (MLPs) are fast, data-driven surrogate models of atomistic systems' potential energy surfaces that can accelerate ab-initio molecular dynamics (MD) simulations by several orders of magnitude. The performance of MLPs is commonly measured as the prediction error in energies and forces on data not used in their training. While low prediction errors on a test set are necessary, they do not guarantee good performance in MD simulations. The latter requires physically motivated performance measures obtained from running accelerated simulations. However, the adoption of such measures has been limited by the effort and domain knowledge required to calculate and interpret them. To overcome this limitation, we present a benchmark that automatically quantifies the performance of MLPs in MD simulations of a liquid-liquid phase transition in hydrogen under pressure, a challenging benchmark system. The benchmark's h-llpt-24 dataset provides reference geometries, energies, forces, and stresses from density functional theory MD simulations at different temperatures and mass densities. The benchmark's Python code automatically runs MLP-accelerated MD simulations and calculates, quantitatively compares and visualizes pressures, stable molecular fractions, diffusion coefficients, and radial distribution functions. Employing this benchmark, we show that several state-of-the-art MLPs fail to reproduce the liquid-liquid phase transition.
A Novel Adaptive Fine-Tuning Algorithm for Multimodal Models: Self-Optimizing Classification and Selection of High-Quality Datasets in Remote Sensing
Ren, Yi, Zhang, Tianyi, Han, Zhixiong, Li, Weibin, Wang, Zhiyang, Ji, Wenbo, Qin, Chenhao, Liang, Chenbin, Jiao, Licheng
We propose an adaptive fine-tuning algorithm for multimodal large models. The core steps of this algorithm involve two stages of truncation. First, the vast amount of data is projected into a semantic vector space, and the MiniBatchKMeans algorithm is used for automated clustering. This classification ensures that the data within each cluster exhibit high semantic similarity. Next, we process the data in each cluster, calculating the translational difference between the original and perturbed data in the multimodal large model's vector space. This difference serves as a generalization metric for the data. Based on this metric, we select the data with high generalization potential for training. We applied this algorithm to train the InternLM-XComposer2-VL-7B model on two 3090 GPUs using one-third of the GeoChat multimodal remote sensing dataset. The results demonstrate that our algorithm outperforms the state-of-the-art baselines. various baselines. The model trained on our optimally chosen one-third dataset, based on experimental validation, exhibited only 1% reduction in performance across various remote sensing metrics compared to the model trained on the full dataset. This approach significantly preserved general-purpose capabilities while reducing training time by 68.2%. Furthermore, the model achieved scores of 89.86 and 77.19 on the UCMerced and AID evaluation datasets, respectively, surpassing the GeoChat dataset by 5.43 and 5.16 points. It only showed a 0.91-point average decrease on the LRBEN evaluation dataset.
A generalizable framework for unlocking missing reactions in genome-scale metabolic networks using deep learning
Liu, Xiaoyi, Yang, Hongpeng, Ai, Chengwei, Dong, Ruihan, Ding, Yijie, Yuan, Qianqian, Tang, Jijun, Guo, Fei
Incomplete knowledge of metabolic processes hinders the accuracy of GEnome-scale Metabolic models (GEMs), which in turn impedes advancements in systems biology and metabolic engineering. Existing gap-filling methods typically rely on phenotypic data to minimize the disparity between computational predictions and experimental results. However, there is still a lack of an automatic and precise gap-filling method for initial state GEMs before experimental data and annotated genomes become available. In this study, we introduce CLOSEgaps, a deep learning-driven tool that addresses the gap-filling issue by modeling it as a hyperedge prediction problem within GEMs. Specifically, CLOSEgaps maps metabolic networks as hypergraphs and learns their hyper-topology features to identify missing reactions and gaps by leveraging hypothetical reactions. This innovative approach allows for the characterization and curation of both known and hypothetical reactions within metabolic networks. Extensive results demonstrate that CLOSEgaps accurately gap-filling over 96% of artificially introduced gaps for various GEMs. Furthermore, CLOSEgaps enhances phenotypic predictions for 24 GEMs and also finds a notable improvement in producing four crucial metabolites (Lactate, Ethanol, Propionate, and Succinate) in two organisms. As a broadly applicable solution for any GEM, CLOSEgaps represents a promising model to automate the gap-filling process and uncover missing connections between reactions and observed metabolic phenotypes.
Extreme 3D ocean waves can reach heights 4x steeper than previously thought
Tank simulations and new models reveal that waves can go beyond our known limits. Breakthroughs, discoveries, and DIY tips sent every weekday. There is more to the ocean's waves than just rolling and breaking. Most waves are not unidirectional; they're not just moving across a two-dimensional plane, as described in many current models. Scientists studying the waves' three-dimensional properties have observed that waves moving in more than one direction at once can grow twice as steep before they break and even reach heights that are four times steeper than previously believed.