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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Full event particle-level unfolding with variable-length latent variational diffusion

The measurements performed by particle physics experiments must account for the imperfect response of the detectors used to observe the interactions. One approach, unfolding, statistically adjusts the experimental data for detector effects. Recently, generative machine learning models have shown promise for performing unbinned unfolding in a high number of dimensions. However, all current generative approaches are limited to unfolding a fixed set of observables, making them unable to perform full-event unfolding in the variable dimensional environment of collider data. A novel modification to the variational latent diffusion model (VLD) approach to generative unfolding is presented, which allows for unfolding of high- and variable-dimensional feature spaces. The performance of this method is evaluated in the context of semi-leptonic t\bar{t} t t ‾ production at the Large Hadron Collider.

Shmakov, Alexander↗
DOE OSTI2020

Arctic Tipping Points Triggering Global Change (LDRD Final Report)

The Arctic is warming and feedbacks in the coupled Earth system may be driving the Arctic to tipping events that could have critical downstream impacts for the rest of the globe. In this project we have focused on analyzing sea ice variability and loss in the coupled Earth system Summer sea ice loss is happening rapidly and although the loss may be smooth and reversible, it has significant consequences for other Arctic systems as well as geopolitical and economic implications. Accurate seasonal predictions of sea ice minimum extent and long-term estimates of timing for a seasonally ice-free Arctic depend on a better understanding of the factors influencing sea ice dynamics and variation in this strongly coupled system. Under this project we have investigated the most influential factors in accurate predictions of September Arctic sea ice extent using machine learning models trained separately on observational data and on simulation data from five E3SM historical ensembles. Monthly averaged data from June, July, and August for a selection of ice, ocean, and atmosphere variables were used to train a random forest regression model. Gini importance measures were computed for each input feature with the testing data. We found that sea ice volume is most important earlier in the season (June) and sea ice extent became a more important predictor closer to September. Results from this study provide insight into how feature importance changes with forecast length and illustrates differences between observational data and simulated Earth system data. We have additionally performed a global sensitivity analysis (GSA) using a fully coupled ultra- low resolution configuration E3SM. To our knowledge, this is the first global sensitivity analysis involving the fully-coupled E3SM Earth system model. We have found that parameter variations show significant impact on the Arctic climate state and atmospheric parameters related to cloud parameterizations are the most significant. We also find significant interactions between parameters from different components of E3SM. The results of this study provide invaluable insight into the relative importance of various parameters from the sea ice, atmosphere and ocean components of the E3SM (including cross-component parameter interactions) on various Arctic-focused quantities of interest (QOIs).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Tuning the critical Li intercalation concentrations for MoX 2 bilayer phase transitions using classical and machine learning approaches

Transition metal dichalcogenides (TMDs) such as MoX 2 are known to undergo a structural phase transformation as well as a change in the electronic conductivity upon Li intercalation. These properties make them candidates for charge tunable ion-insertion materials that could be used in electro-chemical devices for neuromorphic computing applications. In this work we study the phase stability and electronic structure of Li-intercalated bilayer MoX 2 with X=S, Se or Te. Using first-principles calculations in combination with classical and machine learning modeling approaches we find that the energy needed to stabilize the conductive phase decreases with increasing atomic mass of the chalcogen atom X. A similar decreasing trend is found in the threshold Li concentration where the structural phase transition takes place. While the electronic conductivity increases with increasing ion concentration at low concentrations, we do not observe a conductivity jump at the phase transition point.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Considerations for using Privacy Preserving Machine Learning Techniques for Safeguards

In international nuclear safeguards, the International Atomic Energy Agency (IAEA) is tasked with inspecting and verifying nuclear facilities and their activities. Data analytics and machine learning to support inspections require large amounts of data that nuclear facility operators may consider proprietary or sensitive, so the IAEA may not have full access. Allowing computation over private data without compromising its security therefore has value for safeguards inspections and analysis. Privacy-preserving machine learning (PPML) consists of security-focused techniques that allow data analytics and machine learning algorithms to run on sensitive data without revealing it. This includes ideas like homomorphic encryption (HE), secure multiparty computation (SMPC), and secure enclaves. HE allows algorithms and mathematical operations to be conducted directly on the encrypted data instead of first decrypting it. With SMPC, multiple entities collaboratively compute over distributed data such that no party is able to directly view any others’ original data. Secure enclaves allow computation to take place in a separate and heavily blocked-off section of a CPU. Techniques like these allow for several potential use cases in which the security of data is essential. With SMPC, machine learning models can be trained over the input data from multiple entities, resulting in a model that all users can benefit from without leaking the input data from any particular entity. With SMPC or a zero-knowledge proof (ZKP), an algorithm returning some single answer or truth value can be run on someone else’s data without ever needing to see that data, potentially allowing for verification or proof of some underlying question. HE can allow for outsourcing computation on data to a hostile or untrusted environment. Although most of the research in this field resides within the health and financial domains, tools from PPML may have similar applications in nuclear safeguards. Allowing the IAEA to compute over proprietary information, such as process models and raw sensor data using PPML techniques, provides the baseline for running complex analytics without needing direct unencrypted access to the underlying data, maintaining its privacy. Important limitations to consider for these techniques include the efficiency and level of security required. The security of HE and SMPC come at the cost of speed—the significant amount of overhead means that algorithms implemented in these protocols and encryption schemes are slower than when run on plaintext. Additionally, several important parameters determine what techniques or protocols are used based on the security requirements. SMPC protocols may need to be selected for resistance against a party that attempts to deviate from the protocol to distort the result or gain access to additional information, and a protocol secure against these attacks may further increase the overhead of the algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Simple and efficient algorithms for training machine learning potentials to force data

Machine learning models, trained on data from ab initio quantum simulations, are yielding molecular dynamics potentials with unprecedented accuracy. One limiting factor is the quantity of available training data, which can be expensive to obtain. A quantum simulation often provides all atomic forces, in addition to the total energy of the system. These forces provide much more information than the energy alone. It may appear that training a model to this large quantity of force data would introduce significant computational costs. Actually, training to all available force data should only be a few times more expensive than training to energies alone. Here, we present a new algorithm for efficient force training, and benchmark its accuracy by training to forces from real-world datasets for organic chemistry and bulk aluminum.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Regressing Nuclear Reactor Power Level Using Low-Cost Sensor Network Data

Multisensor networks deployed at nuclear facilities can be leveraged to collect data used as inputs to machine learning models predicting nuclear safeguard relevant information. This work demonstrates an application of this idea by regressing nuclear reactor power levels, a key indicator for nuclear safeguard verification, at the McClellan Nuclear Research Center using data collected by five Merlyn multisensor platforms with LASSO and LSTM models. This work also demonstrates the use of Leave One Node Out to measure the importance of each multisensor for this regression problem providing insight into model explainability and allowing inferential hypotheses about the nuclear facility to be made. This work can be used as a starting point for future development of methods for regression on reactor power levels at nuclear facilities using multisensor network data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Nuclear Safeguards: Feature Extraction for Machine Learning Enrichment Analysis of UF 6 Cylinders

With the increasing international interest in using nuclear material as sources of energy, comes the growing concern that we may see an increase in proliferation threats. Uranium hexafluoride (UF 6 ) is used in the nuclear fuel cycle for uranium enrichment. Inspectors from the International Atomic Energy Agency (IAEA) monitor the enrichment levels of UF 6 stored in transportation cylinders, to ensure the enrichments match that of a facility operator’s declarations. However, only a characteristic subset of UF 6 cylinders can be measured by inspectors from the IAEA during these inspections. In turn, the inspector may not identify a cylinder whose enrichment levels do not match the facility declarations. Therefore, our team attempts to develop a machine learning network that could determine the enrichment percentage of cylinders as they enter and exit facilities. The machine learning model must be robust against spectral variations due to factors that are internal and external to the UF 6 cylinder. Such factors include but are not limited to the speed and distance of the moving vehicle, cylinder type, cylinder orientation, and fill level. Many features in the spectral continuum can be used to identify and correct for some of these variations. As a consequence, the model must extract numerous features in the continuum. We investigate new approaches in continuum subtraction to verify enrichment percentage: interpolation and extrapolation of lines at the notable characteristic spectral peaks. It was determined that there was no clear answer on which method proved superior, therefore the decision was made to implement both new methods into the current codebase. We currently rely on synthetic training and testing data to analyze the results and fine tune our models but hope to test the system on measured data soon.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Simultaneous mitigation of density and energy errors in approximate DFT for transition metal chemistry (Final Technical Report)

There were three major goals and objectives of this project: 1) Develop tools to understand density-driven errors in transition metal complexes, 2) Evaluate and minimize energy delocalization error and static correlation error through judicious functional choice, and 3) applying this workflow to machine-learning accelerated screening of redox couples. Over the reporting period, we developed a framework for eliminating flat plane errors. We introduced fully non-empirical coefficients. We demonstrated the approach on both molecules and solids. We investigated and eliminated density driven errors and demonstrated their impact on potential energy surfaces. We trained machine learning models both in a method-dependent fashion and to predict errors in method accuracy. We built large data sets of small molecule energetics and multi-reference character.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Scalable and Energy-Efficient Methods for Interactive Exploration of Scientific Data

The main scientific contributions of this project are the following novel concepts for multidimensional arrays: shape-based similarity join (SIGMOD 2016), incremental view maintenance (SIGMOD 2017), user-defined stencil functions (HPDC 2017), and distributed caching for in-situ processing (SSDBM 2018). Building on our collaboration with the astrophysics group at LBNL, we applied these techniques to the data generated in the Palomar Transient Factory (PTF) astronomical survey. They played a pivotal role in the first-ever observation of a neutron star merger, which produces gravitational waves and turns out to be the origin of heavy elements, including gold. This has lead to a Science magazine article that has received extensive media coverage on ACM TechNews, Slashdot, FiveThirtyEight, and Quanta Magazine, among others. Additionally, two other articles detailing related aspects of the same discovery have been published in the Astrophysical Journal Letters journal. These publications have more than 3,000 citations according to Google Scholar (as of February 2022). This cross-disciplinary collaboration provided very good opportunities to apply database techniques to real-life scientific problems. The fact that they facilitated major discoveries in astrophysics proves the importance of our research. In addition to the work on multidimensional array databases, this project has also developed stochastic gradient descent (SGD) optimization algorithms for training large scale machine learning models, methods for querying in-situ data, and a database query optimizer based on sketch synopses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Mitigate: An Adaptive Network Data Anonymization Tool Using Condensation-Based Differential Privacy

Modern network devices collect a large amount of data that can be analyzed to identify bottlenecks, anomalies, cyber-attacks, etc. Therefore, there is often a need to analyze such collections of network data quite often by an external expert or by the research community. However, these collections of data contain sensitive, proprietary information. In order for the network data to be shared, it must first be anonymized. The overall objective of this project is to develop an innovative privacy management tool to anonymize network data and achieve sufficient privacy, acceptable data utility, and efficient data analysis at the same time. No existing anonymization methods can achieve all of these at the same time. The core of this technology is a differential private clustering algorithm that provides strong privacy protection, preserves data properties important for subsequent analysis, and allows the party receiving the anonymized data to conduct analysis directly on anonymized data without the need of decryption or any extra processing. The research carried out was to design, implement and verify a solution to this problem by completing the following tasks: 1) developing the core technology; 2) developing a context based method that automatically recommends fields that must be anonymized; 3) conducted experiments showing superior results using our approach compared to existing tools, and 4) developed an intuitive but basic user interface. The research that was conducted generated novel algorithmic techniques that utilize state-of-the-art methods such as condensation, differential privacy preservation, clustering, automated tuning based on contextual awareness, and recommendation techniques to specify columns to users for anonymization leading to optimal privacy that allows research analysis on the dataset. Experiments were conducted to evaluate the efficacy of these novel algorithmic techniques by performing analysis on original non-anonymized datasets, then conducting analysis on the same yet anonymized datasets and comparing the results of the analyses. Overall, the anonymized analysis results were within 1% of the original results, verifying that the generated technology not only guarantees a high level of privacy but also enables research analysis as if it were conducted on the original dataset. Potential applications of this technology include anonymization of any type of structured network datasets that contain sensitive identifiers, such as IP addresses, that can be used in multiple applications. For example, to create an AI or machine learning model for cyber security, e.g., to detect attacks, or for performance analysis, e.g., identify bottlenecks or predict performance. In addition, a market analysis that was conducted for potential applications of this technology identified a broader range of applications of our anonymization technology beyond the network sector that includes healthcare, banking, insurance, securities, finance (FISB), data brokering, cloud services, ad sales, and government.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Preliminary Transfer Learning Results on Israel Data

In this preliminary report, we use publicly available data recorded in Israel to test and expand upon existing machine learning models for seismic-phase detection and arrival-time measurement. We downloaded 3-years of waveform data from Geofon, and cross referenced the waveforms to Israel bulletin picks (Schardong et al., 2021). The initial results using existing models directly generated ubiquitous false detections and that obscured detections of signals that are clearly visible in the waveforms. However, after applying transfer learning (tuning parameters in the existing ML models using one year of the Israel-network data), the results are encouraging, i.e. ML picks agree within a few tenths of a second with bulletin picks and the number of false detections is greatly reduced. The bulletin picks are a good starting point, but they cannot be considered ground-truth. To test potential improvement in picking using ML we would like to relocate the events using the ML picks to see if the events cluster more tightly at known mine locations. However, in order to constrain event locations, we need ML picks for the whole Israeli-Jordanian network, which requires waveforms that are not publicly available.

58 GEOSCIENCES↗
DOE OSTI2022

Incorporation of Physics Phenomenology into an Adaptive Algorithm Framework (Final Report)

We attempt to incorporate prior physics knowledge into a machine learning architecture at an applied application level (empirical) as opposed to the level of fundamental physics (first principles). The purpose of this work is to allow for the application of methods of physics-informed machine learning to a broad range of national security problems, while enhancing the trust in machine-learned models by decreasing the “black box” nature of such methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

GraphAlign: Graph-Enabled Machine Learning for Seismic Event Filtering

This report summarizes results from a 2 year effort to improve the current automated seismic event processing system by leveraging machine learning models that can operated over the inherent graph data structure of a seismic sensor network. Specifically, the GraphAlign project seeks to utilize prior information on which stations are more likely to detect signals originating from particular geographic regions to inform event filtering. To date, the GraphAlign team has developed a Graphical Neural Network (GNN) model to filter out false events generated by the Global Associator (GA) algorithm. The algorithm operates directly on waveform data that has been associated to an event by building a variable sized graph of station waveforms nodes with edge relations to an event location node. This builds off of previous work where random forest models were used to do the same task using hand crafted features. The GNN model performance was analyzed using an 8 week IMS/IDC dataset, and it was demonstrated that the GNN outperforms the random forest baseline. We provide additional error analysis of which events the GNN model performs well and poorly against concluded by future directions for improvements.

58 GEOSCIENCES↗
DOE OSTI2023

Spatio-Temporal Surrogates for Interaction of a Jet with High Explosives: Part I - Analysis with a Small Sample Size

Computer simulations, especially of complex phenomena, can be expensive, requiring high-performance computing resources. Often, to understand a phenomenon, multiple simulations are run, each with a different set of simulation input parameters. These data are then used to create an interpolant, or surrogate, relating the simulation outputs to the corresponding inputs. When the inputs and outputs are scalars, a simple machine learning model can suffice. However, when the simulation outputs are vector valued, available at locations in two or three spatial dimensions, often with a temporal component, creating a surrogate is more challenging. In this report, we use a two-dimensional problem of a jet interacting with high explosives to understand how we can build high-quality surrogates. The characteristics of our data set are unique - the vector-valued outputs from each simulation are available at over two million spatial locations; each simulation is run for a relatively small number of time steps; the size of the computational domain varies with each simulation; and resource constraints limit the number of simulations we can run. We show how we analyze these extremely large data-sets, set the parameters for the algorithms used in the analysis, and use simple ways to improve the accuracy of the spatio-temporal surrogates without substantially increasing the number of simulations required.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

AD – Elog Data Search Using Natural Language Processing Techniques

The goal of this project is to develop and evaluate a Machine Learning model using natural language processing techniques to categorize AD E-Log entries efficiently. AD E-Logs, which play a vital role in Fermilab's projects as a system to record and manage various data, often suffer from slow search processing and imprecise results. To address this issue, we preprocessed the data and employed the Doc2Vec model for training. The resulting model enables us to identify and retrieve the most relevant entries, thus enhancing user experience in accessing desired information.

Muse, Amiin↗
DOE OSTI2022

SRF Cavity Instability Detection with Machine Learning at CEBAF

During the operation of CEBAF, one or more unstable superconducting radio-frequency (SRF) cavities often cause beam loss trips while the unstable cavities themselves do not necessarily trip off. Identifying an unstable cavity out of the hundreds of cavities installed at CEBAF is difficult and time-consuming. The present RF controls for the legacy cavities report at only 1 Hz, which is too slow to detect fast transient instabilities. A fast data acquisition system for the legacy SRF cavities is being developed which samples and reports at 5 kHz to allow for detection of transients. A prototype chassis has been installed and tested in CEBAF. An autoencoder based machine learning model is being developed to identify anomalous SRF cavity behavior. The model is presently being trained on the slow (1 Hz) data that is currently available, and a separate model will be developed and trained using the fast (5 kHz) DAQ data once it becomes available. This paper will discuss the present status of the new fast data acquisition system and results of testing the prototype chassis. This paper will also detail the initial performance metrics of the autoencoder model.

Carpenter, A.↗