Insight into cloud processes from unsupervised classification with a rotationally invariant autoencoder

Clouds play a critical role in the Earth's energy budget and their potential changes are one of the largest uncertainties in future climate projections. However, the use of satellite observations to understand cloud feedbacks in a warming climate has been hampered by the simplicity of existing cloud classification schemes, which are based on single-pixel cloud properties and cannot consider spatial structures and textures. Recent advances in computer vision enable the grouping of different patterns of images without using human predefined labels, providing a novel means of automated cloud classification. This unsupervised learning approach allows discovery of unknown climate-relevant cloud patterns, and the automated processing of large datasets. We describe here the use of such methods to generate a new AI-driven Cloud Classification Atlas (AICCA), which leverages 22 years and 800 terabytes of MODIS satellite observations over the global ocean. We use a rotationally invariant cloud clustering (RICC) method to classify those observations into 42 AI-generated cloud class labels at ~100 km spatial resolution. As a case study, we use AICCA to examine a recent finding of decreasing cloudiness in a critical part of the subtropical stratocumulus deck, and show that the change is accompanied by strong trends in cloud classes.

Cloud Classification with Unsupervised Deep Learning

We present a framework for cloud characterization that leverages modern unsupervised deep learning technologies. While previous neural network-based cloud classification models have used supervised learning methods, unsupervised learning allows us to avoid restricting the model to artificial categories based on historical cloud classification schemes and enables the discovery of novel, more detailed classifications. Our framework learns cloud features directly from radiance data produced by NASA's Moderate Resolution Imaging Spectroradiometer (MODIS) satellite instrument, deriving cloud characteristics from millions of images without relying on pre-defined cloud types during the training process. We present preliminary results showing that our method extracts physically relevant information from radiance data and produces meaningful cloud classes.

AICCA: AI-driven Cloud Classification Atlas

Clouds play an important role in the Earth's energy budget and their behavior is one of the largest uncertainties in future climate projections. Satellite observations should help in understanding cloud responses, but decades and petabytes of multispectral cloud imagery have to date received only limited use. This study reduces the dimensionality of satellite cloud observations by grouping them via a novel automated, unsupervised cloud classification technique by using a convolutional neural network. Our technique combines a rotation-invariant autoencoder with hierarchical agglomerative clustering to generate cloud clusters that capture meaningful distinctions among cloud textures, using only raw multispectral imagery as input. Thus, cloud classes are defined without reliance on location, time/season, derived physical properties, or pre-designated class definitions. We use this approach to generate a unique new cloud dataset, the AI-driven cloud classification atlas (AICCA), which clusters 22 years of ocean images from the Moderate Resolution Imaging Spectroradiometer (MODIS) on NASA's Aqua and Terra instruments - 800 TB of data or 198 million patches roughly 100 km x 100 km (128 x 128 pixels) - into 42 AI-generated cloud classes. We show that AICCA classes involve meaningful distinctions that employ spatial information and result in distinct geographic distributions, capturing, for example, stratocumulus decks along the West coasts of North and South America. AICCA delivers the information in multi-spectral images in a compact form, enables data-driven diagnosis of patterns of cloud organization, provides insight into cloud evolution on timescales of hours to decades, and helps democratize climate research by facilitating access to core data.

Masked Sinogram Model with Transformer for ill-Posed Computed Tomography Reconstruction: a Preliminary Study

Computed Tomography (CT) is an imaging technique where information about an object are collected at different angles (called projections or scans). Then the cross-sectional image showing the internal structure of the slice is produced by solving an inverse problem. Limited by certain factors such as radiation dosage, projection angles, the produced images can be noisy or contain artifacts. Inspired by the success of transformer for natural language processing, the core idea of this preliminary study is to consider a projection of tomography as a word token, and the whole scan of the cross-section (A.K.A. sinogram) as a sentence in the context of natural language processing. Then we explore the idea of foundation model by training a masked sinogram model (MSM) and fine-tune MSM for various downstream applications including CT reconstruction under data collections restriction (e.g., photon-budget) and a data-driven solution to approximate solutions of the inverse problem for CT reconstruction. Models and data used in this study are available at https://github.com/lzhengchun/TomoTx.

Globus Automation Services: Research process automation across the space-time continuum

Research process automation--the reliable, efficient, and reproducible execution of linked sets of actions on scientific instruments, computers, data stores, and other resources--has emerged as an essential element of modern science. We report here on new services within the Globus research data management platform that enable the specification of diverse research processes as reusable sets of actions, flows, and the execution of such flows in heterogeneous research environments. To support flows with broad spatial extent (e.g., from scientific instrument to remote data center) and temporal extent (from seconds to weeks), these Globus automation services feature: 1) cloud hosting for reliable execution of even long-lived flows despite sporadic failures; 2) a declarative notation, and extensible asynchronous action provider API, for defining and executing a wide variety of actions and flow specifications involving arbitrary resources; 3) authorization delegation mechanisms for secure invocation of actions. These services permit researchers to outsource and automate the management of a broad range of research tasks to a reliable, scalable, and secure cloud platform. We present use cases for Globus automation services, describe the design and implementation of the services, present microbenchmark studies, and review experiences applying the services in a range of applications

FAIR principles for AI models, with a practical application for accelerated high energy diffraction microscopy

A concise and measurable set of FAIR (Findable, Accessible, Interoperable and Reusable) principles for scientific data is transforming the state-of-practice for data management and stewardship, supporting and enabling discovery and innovation. Learning from this initiative, and acknowledging the impact of artificial intelligence (AI) in the practice of science and engineering, we introduce a set of practical, concise, and measurable FAIR principles for AI models. We showcase how to create and share FAIR data and AI models within a unified computational framework combining the following elements: the Advanced Photon Source at Argonne National Laboratory, the Materials Data Facility, the Data and Learning Hub for Science, and funcX, and the Argonne Leadership Computing Facility (ALCF), in particular the ThetaGPU supercomputer and the SambaNova DataScale system at the ALCF AI Testbed. We describe how this domain-agnostic computational framework may be harnessed to enable autonomous AI-driven discovery.

ScholarBERT: Bigger is Not Always Better

Transformer-based masked language models trained on general corpora, such as BERT and RoBERTa, have shown impressive performance on various downstream tasks. Increasingly, researchers are "finetuning" these models to improve performance on domain-specific tasks. Here, we report a broad study in which we applied 14 transformer-based models to 11 scientific tasks in order to evaluate how downstream performance is affected by changes along various dimensions (e.g., training data, model size, pretraining time, finetuning length). In this process, we created the largest and most diverse scientific language model to date, ScholarBERT, by training a 770M-parameter BERT model on an 221B token scientific literature dataset spanning many disciplines. Counterintuitively, our evaluation of the 14 BERT-based models (seven versions of ScholarBERT, five science-specific large language models from the literature, BERT-Base, and BERT-Large) reveals little difference in performance across the 11 science-focused tasks, despite major differences in model size and training data. We argue that our results establish an upper bound for the performance achievable with BERT-based architectures on tasks from the scientific domain.

3D Convolutional Neural Networks for Dendrite Segmentation Using Fine-Tuning and Hyperparameter Optimization

Dendritic microstructures are ubiquitous in nature and are the primary solidification morphologies in metallic materials. Techniques such as x-ray computed tomography (XCT) have provided new insights into dendritic phase transformation phenomena. However, manual identification of dendritic morphologies in microscopy data can be both labor intensive and potentially ambiguous. The analysis of 3D datasets is particularly challenging due to their large sizes (terabytes) and the presence of artifacts scattered within the imaged volumes. In this study, we trained 3D convolutional neural networks (CNNs) to segment 3D datasets. Three CNN architectures were investigated, including a new 3D version of FCDense. We show that using hyperparameter optimization (HPO) and fine-tuning techniques, both 2D and 3D CNN architectures can be trained to outperform the previous state of the art. The 3D U-Net architecture trained in this study produced the best segmentations according to quantitative metrics (pixel-wise accuracy of 99.84% and a boundary displacement error of 0.58 pixels), while 3D FCDense produced the smoothest boundaries and best segmentations according to visual inspection. The trained 3D CNNs are able to segment entire 852 x 852 x 250 voxel 3D volumes in only ~60 seconds, thus hastening the progress towards a deeper understanding of phase transformation phenomena such as dendritic solidification.

fairDMS: Rapid Model Training by Data and Model Reuse

Extracting actionable information from data sources such as the Linac Coherent Light Source (LCLS-II) and Advanced Photon Source Upgrade (APS-U) is becoming more challenging due to the fast-growing data generation rate. The rapid analysis possible with ML methods can enable fast feedback loops that can be used to adjust experimental setups in real-time, for example when errors occur or interesting events are detected. However, to avoid degradation in ML performance over time due to changes in an instrument or sample, we need a way to update ML models rapidly while an experiment is running. We present here a data service and model service to accelerate deep neural network training with a focus on ML-based scientific applications. Our proposed data service achieves 100x speedup in terms of data labeling compare to the current state-of-the-art. Further, our model service achieves up to 200x improvement in training speed. Overall, fairDMS achieves up to 92x speedup in terms of end-to-end model updating time.