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DOE OSTI2025

Comparative genomics reveals the high diversity and adaptation strategies of Polaromonas from polar environments

Abstract Background Bacteria from the genus Polaromonas are dominant phylotypes found in a variety of low-temperature environments in polar regions. The diversity and biogeographic distribution of Polaromonas have been largely expanded on the basis of 16 S rRNA gene amplicon sequencing. However, the evolution and cold adaptation mechanisms of Polaromonas from polar regions are poorly understood at the genomic level. Results A total of 202 genomes of the genus Polaromonas were analyzed, and 121 different species were delineated on the basis of average nucleotide identity (ANI) and phylogenomic placements. Remarkably, 8 genomes recovered from polar environments clustered into a separate clade (‘polar group’ hereafter). The genome size, coding density and coding sequences (CDSs) of the polar group were significantly different from those of other nonpolar Polaromonas . Furthermore, the enrichment of genes involved in carbohydrate and peptide metabolism was evident in the polar group. In addition, genes encoding proteins related to betaine synthesis and transport were increased in the genomes from the polar group. Phylogenomic analysis revealed that two different evolutionary scenarios may explain the adaptation of Polaromonas to cold environments in polar regions. Conclusions The global distribution of the genus Polaromonas highlights its strong adaptability in both polar and nonpolar environments. Species delineation significantly expands our understanding of the diversity of the Polaromonas genus on a global scale. In this study, a polar-specific clade was found, which may represent a specific ecotype well adapted to polar environments. Collectively, genomic insight into the metabolic diversity, evolution and adaptation of the genus Polaromonas at the genome level provides a genetic basis for understanding the potential response mechanisms of Polaromonas to global warming in polar regions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Proposed Algorithm for Placement and Sizing of Generation and Storage Stations in Urban Environments

The placement of generation and storage stations (GSSs) in distribution grids has been extensively investigated. Most traditional methods are applicable to rural or homogeneous environments and do not account for external restrictions on generation placement in urban or semi-urban environments. In this article, we propose a method for generation placement considering externality constraints. New utility-scale generation in distribution grids potentially occupies footprint and interferes in areas with existing infrastructure with architectural, historical, or touristic value. Urban environments are often regulated by municipal legislation. The placement of utility-scale generation in urban landscapes is economically and physically restricted by such externalities, and existing methods for generation placement in distribution grids based on technical optimization fail to account for this important nuance. The proposed algorithm flexibly adapts to changes in government energy policies and priorities. The selection of the type of generation suitable for the power grid is left to the preference of external high-level stakeholders, such as urban planners, industry development leaders, and energy policymakers. The proposed algorithm is a unique tool for determining the placement and sizing of generation in realistic conditions in distribution grids; it is adaptable to urban externalities and sensitive to stakeholder preferences.

generation and storage station placement↗

DOE OSTI2024

Wideband Impedance Passivation of MMCs for Suppressing Harmonic Oscillations

Harmonic instability and associated oscillation events have become one of the main concerns in MMC-based HVdc systems. These oscillations can appear in the range from a few hundred hertz to several kilohertz, and the root cause is identified as delay-induced negative damping of MMC impedance appearing at the system resonance frequency. Here, this paper introduces a wideband impedance reshaping method through MMC control to eliminate such negative damping for both grid-following (GFL) and grid-forming (GFM) MMCs, which makes the MMC impedance completely passive from the second harmonic frequency upward, thus preventing all harmonic oscillations. First, simplified impedance models of MMCs are derived for the harmonic stability analysis and the impedance reshaping control design. Next, a passivity-based impedance reshaping method is presented, as well as practical considerations for its implementation. In addition, to maintain the MMC's disturbance ride-through capability, an adaptive activation scheme is developed, which enables the wideband impedance reshaping control only in the presence of harmonic oscillation events. The effectiveness of the proposed method is validated by frequency domain analysis and by electromagnetic transient (EMT) simulations of two typical MMC-based power systems.

17 WIND ENERGY↗

DOE OSTI2026

Decentralised Reinforcement Learning for Dynamic Cyberattack Response in Microgrid Networks

Microgrids rely on communication networks for reliable operation, which makes them inherently vulnerable to cyberattacks. Such attacks can destabilise system dynamics and drive states away from their nominal operating trajectories. Although several physics-informed and machine learning-based strategies have been developed to counter these threats, the rapidly evolving cyber landscape enables adversaries to bypass static defences or rules-based mitigation approaches. This paper proposes a dynamic, online-trained and fully decentralised reinforcement learning (RL)-based cyberattack response framework to protect microgrids from evolving cyberattacks. The proposed framework deploys multiple deep Q-networks (DQNs), each associated with a distributed energy resource (DER), to enable localised and adaptive attack mitigation. In this framework, each DQN processes local voltage and frequency measurements—combined with intrusion detection system (IDS) alerts—as observations and rewards to guide decision-making. Extensive simulation studies demonstrate the robustness of the proposed framework under diverse attack scenarios and varying IDS-induced detection delays. Comparative analysis highlights its superiority over existing static or preexisting rules-based mitigation approaches. Finally, we present an analysis that shows the framework's scalability to real-life microgrids with more interacting agents.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Power Grid Reliability Estimation via Adaptive Importance Sampling

Electricity production currently generates approximately 25% of greenhouse gas emissions in the USA. Thus, increasing the amount of renewable energy is a key step to carbon neutrality. However, integrating a large amount of fluctuating renewable generation is a significant challenge for power grid operating and planning. Grid reliability, i.e., an ability to meet operational constraints under power fluctuations, is probably the most important of them. In this letter, we propose computationally efficient and accurate methods to estimate the probability of line overflow, i.e., reliability constraints violation, under a known distribution of renewable energy generation. To this end, we investigate an importance sampling approach, a flexible extension of Monte-Carlo methods, which adaptively changes the sampling distribution to generate more samples near the reliability boundary. The approach allows to estimate overload probability in real-time based only on a few dozens of random samples, compared to thousands required by the plain Monte-Carlo. Our study focuses on high voltage direct current power transmission grids with linear reliability constraints on power injections and line currents. Herein, we propose a novel theoretically justified physics-informed adaptive importance sampling algorithm and compare its performance to state-of-the-art methods on multiple IEEE power grid test cases.

power system faults↗

DOE OSTI2023

A Secure and Adaptive Hierarchical Multi-Timescale Framework for Resilient Load Restoration Using a Community Microgrid

Distribution system integrated community microgrids (CMGs) can partake in restoring loads during extended duration outages. At such times, the CMGs are challenged with limited resource availability, absence of robust grid support, and heightened demand-supply uncertainty. Here, this paper proposes a secure and adaptive three-stage hierarchical multi-timescale framework for scheduling and real-time (RT) dispatch of CMGs with hybrid PV systems to address these challenges. The framework enables the CMG to dynamically expand its boundary to support the neighboring grid sections and is adaptive to the changing forecast error impacts. The first stage solves a stochastic extended duration scheduling (EDS) problem to obtain referral plans for optimal resource rationing. The intermediate near-real-time (NRT) scheduling stage updates the EDS schedule closer to the dispatch time using new obtained forecasts, followed by the RT dispatch stage. To make the decisions more secure and robust against forecast errors, a novel concept called delayed recourse is designed. The approach is evaluated via numerical simulations on a modified IEEE 123-bus system and validated using OpenDSS and hardware-in-loop simulations. The results show superior performance in maximizing load supply and continuous secure distribution network operation under different operating scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Adaptive language model training for molecular design

Abstract The vast size of chemical space necessitates computational approaches to automate and accelerate the design of molecular sequences to guide experimental efforts for drug discovery. Genetic algorithms provide a useful framework to incrementally generate molecules by applying mutations to known chemical structures. Recently, masked language models have been applied to automate the mutation process by leveraging large compound libraries to learn commonly occurring chemical sequences (i.e., using tokenization) and predict rearrangements (i.e., using mask prediction). Here, we consider how language models can be adapted to improve molecule generation for different optimization tasks. We use two different generation strategies for comparison, fixed and adaptive. The fixed strategy uses a pre-trained model to generate mutations; the adaptive strategy trains the language model on each new generation of molecules selected for target properties during optimization. Our results show that the adaptive strategy allows the language model to more closely fit the distribution of molecules in the population. Therefore, for enhanced fitness optimization, we suggest the use of the fixed strategy during an initial phase followed by the use of the adaptive strategy. We demonstrate the impact of adaptive training by searching for molecules that optimize both heuristic metrics, drug-likeness and synthesizability, as well as predicted protein binding affinity from a surrogate model. Our results show that the adaptive strategy provides a significant improvement in fitness optimization compared to the fixed pre-trained model, empowering the application of language models to molecular design tasks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Optimizing temperature distributions for training neural quantum states using parallel tempering

Parametrized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and stymied by the presence of local minima in the parameter landscape. One approach to mitigate this issue is to use parallel tempering methods, and in this work, we focus on the role played by the temperature distribution of the parallel tempering replicas. Using an adaptive method that adjusts the temperatures in order to equate the exchange probability between neighboring replicas, we show that this temperature optimization can significantly increase the success rate of the variational algorithm with negligible computational cost by eliminating bottlenecks in the replicas' random walk. Furthermore, we demonstrate this using two different neural networks, a restricted Boltzmann machine and a feedforward network, which we use to study a toy problem based on a permutation invariant Hamiltonian with a pernicious local minimum and the 𝐽 1 −𝐽 2 model on a rectangular lattice.

Neural network simulations↗

DOE OSTI2024

Federated Deep Reinforcement Learning for Decentralized VVO of BTM DERs

The future of grid control requires a hybrid approach combining centralized and decentralized methods to fully utilize the potential of smart edge devices with artificial intelligence (AI) capabilities. This paper aims to develop and evaluate a federated deep reinforcement learning (FDRL) framework for decentralized adaptive volt-var optimization (VVO) of behind-the-meter (BTM) distributed energy resources (DERs). First, this paper models a single deep reinforcement learning (DRL) agent using the Markov Decision Process (MDP) framework for decentralized adaptive VVO of BTM DERs. Two DRL algorithms, soft actor-critic (SAC) and twin-delayed deep deterministic policy gradient (TD3), are compared for their effectiveness in optimizing VVO. Results show that TD3 outperforms SAC, achieving a 71.3% improvement in mean reward. Finally, the DRL agent is deployed within the FDRL framework, using the Flower platform, to enhance learning, provide adaptive control, and ensure data privacy for BTM DERs.

Ravi, Abhijith↗

DOE OSTI2021

Distributed Inference with Sparse and Quantized Communication

Here, we consider the problem of distributed inference where agents in a network observe a stream of private signals generated by an unknown state, and aim to uniquely identify this state from a finite set of hypotheses. We focus on scenarios where communication between agents is costly, and takes place over channels with finite bandwidth. To reduce the frequency of communication, we develop a novel event-triggered distributed learning rule that is based on the principle of diffusing low beliefs on each false hypothesis. Building on this principle, we design a trigger condition under which an agent broadcasts only those components of its belief vector that have adequate innovation, to only those neighbors that require such information. We prove that our rule guarantees convergence to the true state exponentially fast almost surely despite sparse communication, and that it has the potential to significantly reduce information flow from uninformative agents to informative agents. Next, to deal with finite-precision communication channels, we propose a distributed learning rule that leverages the idea of adaptive quantization. We show that by sequentially refining the range of the quantizers, every agent can learn the truth exponentially fast almost surely, while using just 1 bit to encode its belief on each hypothesis. For both our proposed algorithms, we rigorously characterize the trade-offs between communication-efficiency and the learning rate.

42 ENGINEERING↗

DOE OSTI2023

Mass spectrometry imaging of natural carbonyl products directly from agar-based microbial interactions using 4-APEBA derivatization

Aliphatic carboxylic acids, aldehydes, and ketones play diverse roles in microbial adaptation to their microenvironment, from excretion as toxins to adaptive metabolites for membrane fluidity. However, the spatial distribution of these molecules throughout biofilms and how microbes in these environments exchange these molecules remain elusive for many of these bioactive species due to inefficient molecular imaging strategies. Herein, we apply on-tissue chemical derivatization (OTCD) using 4-(2-((4-bromophenethyl)dimethylammonio)ethoxy)benzenaminium dibromide (4-APEBA) on a co-culture of a soil bacterium (Bacillus subtilis NCIB 3610) and fungus (Fusarium sp. DS 682) grown on agar as our model system. Using matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI), we spatially resolved more than 300 different metabolites containing carbonyl groups within this model system. Various spatial patterns are observable in these species, which indicate possible extracellular or intercellular processes of the metabolites and their up- or downregulation during microbial interaction. The unique chemistry of our approach allowed us to bring additional confidence in accurate carbonyl identification, especially when multiple isomeric candidates were possible, and this provided the ability to generate hypotheses about the potential role of some aliphatic carbonyls in this B. subtilis/Fusarium sp. interaction. The results shown here demonstrate the utility of 4-ABEBA-based OTCD MALDI-MSI in probing interkingdom interactions directly from microbial co-cultures, and these methods will enable future microbial interaction studies with expanded metabolic coverage.

4-APEBA↗

DOE OSTI2022

Particulate and dissolved metabolite distributions along a latitudinal transect of the western Atlantic Ocean

Abstract Metabolites, or the small organic molecules that are synthesized by cells during metabolism, comprise a complex and dynamic pool of carbon in the ocean. They are an essential currency in interactions at the population and community levels of biological organization. Characterizing metabolite distributions inside microbial cells and dissolved in seawater is essential to understanding the controls on their production and fate, as well as their roles in shaping marine microbial food webs. Here, we apply a targeted metabolomics method to quantify particulate and dissolved distributions of a suite of biologically relevant metabolites including vitamins, amino acids, nucleic acids, osmolytes, and intermediates in biosynthetic pathways along a latitudinal transect in the western Atlantic Ocean. We find that, in the upper 200 m of the water column, most particulate or intracellular metabolites positively covary with the most abundant microbial taxa. In contrast, dissolved metabolites exhibited greater variability with differences in distribution between ocean regions. Although fewer particulate metabolites were detected below 200 m, the particulate metabolites identified in the deep ocean may be linked to adaptive physiological strategies of deep‐sea microbes. Based on the identified metabolite distributions, we propose relationships between certain metabolites and microbial populations, and find that dissolved metabolite distributions are not directly related to their particulate abundances.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Comparing land surface temperature and mean radiant temperature for urban heat mapping in Philadelphia

Many cities are experiencing more frequent extreme heat during hot summers. With the rise of global temperature, the thermal comfort in urban areas become even worse. Quantitative information of the spatial distributions of urban heat has become increasingly important for resilience and adaptation to climate change in cities. This study compares satellite-derived land surface temperature (LST) and urban microclimate modeling-based mean radiant temperature (Tmrt) for mapping the urban heat distributions in Philadelphia, Pennsylvania, USA. Here, the LST was estimated based on Landsat 8 thermal imagery with a spatial resolution of around 100 m, while the Tmrt was simulated based on high resolution LiDAR and national aerial imagery program multispectral aerial imageries with a spatial resolution of 1 m. Result shows that both LST and Tmrt show a similar general pattern of the urban heat across the study area, while the Tmrt presents much more details of the heat variations street by street and neighborhood by neighborhood. The LST tends to have a stronger relationship with the Tmrt on building roofs, which are usually not the place for human activities. This studyprovides evidence for choosing more appropriate metrics in urban heat-related studies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Real-Time Model-Adaptive Relaying Applied to Microgrid Protection

In microgrids, the short-circuit current magnitude is significantly limited by more than an order of magnitude due to the relatively small inverter-based resources. Commercially available protective devices for distribution cannot reliably protect a microgrid due to their dependence on the magnitude of the fault current. Moreover, overcurrent relays typically cannot function properly for a microgrid because they are incapable of detecting faults and/or performing the coordination between the relays in inverter-based microgrids operated in the islanded mode. This paper proposes a model-adaptive relay designed to adjust the relay curves based on the available generation and the network topology. The proposed method runs a real-time model of the microgrid, which gathers information from the network to calculate the available short-circuit current in the specified node. The fault current from the model is then used for the adaptive algorithm to calculate the relay settings, considering coordination with the downstream fuses and upstream reclosers. This work presents the validation of the proposed method in Hardware-in-the-Loop, in a hardware testbed as well as field deployed in a real microgrid in East-Tennessee.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

ASAUM--Adaptive Structured and Unstructured Mesh

ASAUM is a C++ library for representing distributed, multi-block structed and unstructured meshes. The library is meant to provide users with the ability to read/write, partition, and query the large distributed meshes that are commonly used in scientific computing.

Park, HyeongKae↗

DOE OSTI2025

General signals for charged lepton flavor violating decays

We explore the most general phenomenology of charged lepton flavor violating (CLFV) decays of muon and tau leptons to the three body final states ($\bar{e}ee, \bar{μ}μμ, \bar{e}μμ, \bar{μ}μe, \bar{μ}ee, \bar{e}eμ$). By constructing a complete basis of operators at each dimension, we derive the most general amplitudes for these decay processes. By considering constraints from unitarity and Large Electron-Positron Collider (LEP), we show that operators of mass dimension 6 and 7 are the most likely to be observed in next generation experiments. Focusing on these dimensions, we compute the results of unpolarized (spin-averaged) decays parametrized in terms of the invariant masses of the daughter particles. We also compute the differential decay rates for polarized decays, in anticipation of the experimental search Mu3e, which expects to have a muon beam with ∼ 90% polarization, and the chiral Belle proposal, which aims to have a 70% polarized electron beam. To determine the extent to which the operators may be distinguished experimentally, we plot the differential distributions for each operator, showing that they leave only a few possible degenerate explanations. Through a statistical analysis, we estimate the number of events needed to break the degeneracies using the angular information. These results are adapted to treat ℓ → ℓ′⁢$v\bar{v}$, where the angular distribution of the outgoing charged lepton has enhanced distinguishing power. With many Standard Model extensions predicting these CLFV decays, these results will better enable upcoming searches to identify and/or constrain physics beyond the Standard Model.

phenomenology↗

DOE OSTI2025

A distributed voltage inference framework for cyber-physical attacks detection and localization in active distribution grids

The transition to active distribution grids with real-time monitoring and control depends on the proliferation of advanced communication networks and devices. This paradigm shift towards a cyber-physical architecture also introduces new vulnerabilities for adversaries to exploit and launch sophisticated cyber-physical attacks targeting grid observability. Current research highlights the challenges in distinguishing attacks on voltage phasor or nodal injection measurements and isolating multi-source attack locations in a multiphase distribution grid. The attack detection and localization methods in literature face accuracy issues, applications across diverse attack scenarios, or scalability limits. Here, to bridge these gaps, this paper proposes a distributed Voltage Inference framework for real-time detection and localization of cyber-physical attacks, addressing scalability, adaptability, and accuracy challenges in state-of-the-art methods. The proposed methodology leverages the distributed nature of the Voltage Inference framework through a two-step process of prediction and correction, together with a tractable graph partitioning approach, providing a reliable solution to identify compromised measurement sources and facilitate isolation. Extensive testing on IEEE 13 and 123-node distribution feeders underscores the algorithm’s efficacy, enhancing the security and resilience of active distribution grids against evolving cyber threats. Additionally, Hardware-in-the-Loop (HIL) implementation validates the proposed strategy’s practical applicability in real-world scenarios.

active distribution grids↗

DOE OSTI2026

Enhancing weak lensing redshift distribution characterization by optimizing the Dark Energy Survey Self-Organizing Map Photo-z method

Characterization of the redshift distribution of ensembles of galaxies is pivotal for large scale structure cosmological studies. In this work, we focus on improving the Self-Organizing Map (SOM) methodology for photometric redshift estimation (SOMPZ), specifically in anticipation of the Dark Energy Survey Year 6 (DES Y6) data. This data set, featuring deeper and fainter galaxies than DES Year 3 (DES Y3), demands adapted techniques to ensure accurate recovery of the underlying redshift distribution. We investigate three strategies for enhancing the existing SOM-based approach used in DES Y3: 1) Replacing the Y3 SOM algorithm with one tailored for redshift estimation challenges; 2) Incorporating $\textit{g}$-band flux information to refine redshift estimates (i.e. using $\textit{griz}$ fluxes as opposed to only $\textit{riz}$); 3) Augmenting redshift data for galaxies where available. These methods are applied to DES Y3 data, and results are compared to the Y3 fiducial ones. Our analysis indicates significant improvements with the first two strategies, notably reducing the overlap between redshift bins. By combining strategies 1 and 2, we have successfully managed to reduce redshift bin overlap in DES Y3 by up to 66$\%$. Conversely, the third strategy, involving the addition of redshift data for selected galaxies as an additional feature in the method, yields inferior results and is abandoned. Our findings contribute to the advancement of weak lensing redshift characterization and lay the groundwork for better redshift characterization in DES Year 6 and future stage IV surveys, like the Rubin Observatory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗