Search

Hybrid quantum systems consisting of a collection of N spin-1/2 particles uniformly interacting with an electromagnetic field, such as one confined in a cavity, are important for the development of quantum information processors and will be useful for metrology, as well as tests of collective behavior. Such systems are often modeled by the Tavis-Cummings model and having an accurate understanding of the thermal behaviors of this system is needed to understand the behavior of them in realistic environments. We quantitatively show in this work that the Dicke subspace approximation is at times invoked too readily, in specific we show that there is a temperature above which the degeneracies in the system become dominant and the Dicke subspace is minimally populated. This transition occurs at a lower temperature than priorly considered. When in such a temperature regime, the key constants of the motion are the total excitation count between the spin system and cavity and the collective angular momentum of the spin system. These enable perturbative expansions for thermal properties in terms of the energy shifts of dressed states, called Lamb shifts herein. These enable efficient numeric methods for obtaining certain parameters that scale as $O(\sqrt{N})$, and is thus highly efficient. These provide methods for approximating, and bounding, properties of these systems as well as characterizing the dominant population regions, including under perturbative noise. In the regime of stronger spin-spin coupling the perturbations outweigh the expansion series terms and inefficient methods likely are needed to be employed, removing the computational efficiency of simulating such systems. The results in this work can also be used for related systems such as coupled-cavity arrays, cavity mediated coupling of collective spin ensembles, and collective spin systems., Comment: 14 + 11 pages, 10 figures

Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face constraints imposed by the quantity and quality of available data. Moreover, ML is often employed in tandem with simulated datasets originating from density functional theory (DFT), and assessed through in-sample evaluation schemes. This scenario raises questions about the practical utility of ML in uncovering new and significant material classes for industrial applications. Here, we propose a data-driven framework aimed at accelerating the discovery of new transparent conducting materials (TCMs), an important category of semiconductors with a wide range of applications. To mitigate the shortage of available data, we create and validate unique experimental databases, comprising several examples of existing TCMs. We assess state-of-the-art (SOTA) ML models for property prediction from the stoichiometry alone. We propose a bespoke evaluation scheme to provide empirical evidence on the ability of ML to uncover new, previously unseen materials of interest. We test our approach on a list of 55 compositions containing typical elements of known TCMs. Although our study indicates that ML tends to identify new TCMs compositionally similar to those in the training data, we empirically demonstrate that it can highlight material candidates that may have been previously overlooked, offering a systematic approach to identify materials that are likely to display TCMs characteristics.

Symmetry is fundamental in the description and simulation of quantum systems. Leveraging symmetries in classical simulations of many-body quantum systems often results in an exponential overhead due to the exponentially growing size of some symmetry groups as the number of particles increases. Quantum computers hold the promise of achieving exponential speedup in simulating quantum many-body systems; however, a general method for utilizing symmetries in quantum simulations has not yet been established. In this work, we present a unified framework for incorporating symmetry groups into the simulation of many-body systems on quantum computers. The core of our approach lies in the development of efficient quantum circuits for symmetry-adapted projection onto irreducible representations of a group or pairs of commuting groups. We provide resource estimations for common groups, including the cyclic and permutation groups. Our algorithms demonstrate the capability to prepare coherent superpositions of symmetry-adapted states and to perform quantum evolution across a wide range of models in condensed matter physics and ab initio electronic structure in quantum chemistry. We execute a symmetry-adapted quantum subroutine for small molecules in first quantization on noisy hardware, and demonstrate the emulation of symmetry-adapted quantum phase estimation for preparing coherent superpositions of quantum states in various irreducible representations. In addition, we present a discussion of major open problems regarding the use of symmetries in digital quantum simulations of many-body systems, paving the way for future systematic investigations into leveraging symmetries for practical quantum advantage. The broad applicability and the efficiency of the proposed symmetry-adapted subroutine holds the promise for exponential speedup in quantum simulation of many-body systems., Comment: 26 pages, 18 figures

GPT-4o is an autoregressive omni model that accepts as input any combination of text, audio, image, and video, and generates any combination of text, audio, and image outputs. It's trained end-to-end across text, vision, and audio, meaning all inputs and outputs are processed by the same neural network. GPT-4o can respond to audio inputs in as little as 232 milliseconds, with an average of 320 milliseconds, which is similar to human response time in conversation. It matches GPT-4 Turbo performance on text in English and code, with significant improvement on text in non-English languages, while also being much faster and 50\% cheaper in the API. GPT-4o is especially better at vision and audio understanding compared to existing models. In line with our commitment to building AI safely and consistent with our voluntary commitments to the White House, we are sharing the GPT-4o System Card, which includes our Preparedness Framework evaluations. In this System Card, we provide a detailed look at GPT-4o's capabilities, limitations, and safety evaluations across multiple categories, focusing on speech-to-speech while also evaluating text and image capabilities, and measures we've implemented to ensure the model is safe and aligned. We also include third-party assessments on dangerous capabilities, as well as discussion of potential societal impacts of GPT-4o's text and vision capabilities.

The increasingly large number of complex organic molecules detected in the interstellar medium necessitates robust kinetic models that can be relied upon for investigating the involved chemical processes. Such models require rate constants for each of the thousands of reactions; the values of these are often estimated or extrapolated, leading to large uncertainties that are rarely quantified. We have performed a global Monte Carlo and a more local one-at-a-time sensitivity analysis on the gas-phase rate coefficients in a 3-phase dark cloud model. Time-dependent sensitivities have been calculated using four metrics to determine key reactions for the overall network as well as for the cyanonaphthalene molecule in particular, an important interstellar species that is severely under-produced by current models. All four metrics find that reactions involving small, reactive species that initiate hydrocarbon growth have large effects on the overall network. Cyanonaphthalene is most sensitive to a number of these reactions as well as ring-formation of the phenyl cation (C6H5+) and aromatic growth from benzene to naphthalene. Future efforts should prioritize constraining rate coefficients of key reactions and expanding the network surrounding these processes. These results highlight the strength of sensitivity analysis techniques to identify critical processes in complex chemical networks, such as those often used in astrochemical modeling., Comment: 21 pages and 13 figures, accepted for publication in Physical Chemistry Chemical Physics

We introduce LLMD, a large language model designed to analyze a patient's medical history based on their medical records. Along with domain knowledge, LLMD is trained on a large corpus of records collected over time and across facilities, as well as tasks and labels that make nuanced connections among them. This approach is critical to an accurate picture of patient health, and has distinctive advantages over models trained on knowledge alone, unlabeled records, structured EHR data, or records from a single health system. The recipe for LLMD continues pretraining a foundational model on both domain knowledge and the contents of millions of records. These span an average of 10 years of care and as many as 140 care sites per patient. LLMD is then instruction fine-tuned on structuring and abstraction tasks. The former jointly identify and normalize document metadata, provenance information, clinical named-entities, and ontology mappings, while the latter roll these into higher-level representations, such a continuous era of time a patient was on a medication. LLMD is deployed within a layered validation system that includes continual random audits and review by experts, e.g. based on uncertainty, disease-specific rules, or use-case. LLMD exhibits large gains over both more-powerful generalized models and domain-specific models. On medical knowledge benchmarks, LLMD-8B achieves state of the art accuracy on PubMedQA text responses, besting orders-of-magnitude larger models. On production tasks, we show that LLMD significantly outperforms all other models evaluated, and among alternatives, large general purpose LLMs like GPT-4o are more accurate than models emphasizing medical knowledge. We find strong evidence that accuracy on today's medical benchmarks is not the most significant factor when analyzing real-world patient data, an insight with implications for future medical LLMs.'

Singlet exciton fission has the potential to increase the efficiency of crystalline silicon solar cells beyond the conventional single junction limit. Perhaps the largest obstacle to achieving this enhancement is uncertainty about energy coupling mechanisms at the interfaces between silicon and exciton fission materials such as tetracene. Here, the previously reported silicon-hafnium oxynitride-tetracene structure is studied and a combination of magnetic-field-dependent silicon photoluminescence measurements and density functional theory calculations is used to probe the influence of the interlayer composition on the triplet transfer process across the hafnium oxynitride interlayer. It is found that hafnium oxide interlayers do not show triplet exciton sensitization of silicon, and that nitrogen content in hafnium oxynitride layers is correlated with enhanced sensitization. Calculation results reveal that defects in hafnium oxynitride interlayers with higher nitrogen content introduce states close to the band-edge of silicon, which can mediate the triplet exciton transfer process. Some defects introduce additional deleterious mid-gap states, which may explain observed silicon photoluminescence quenching. These results show that band-edge states can mediate the triplet exciton transfer process, potentially through a sequential charge transfer mechanism., Comment: 30 pages, 20 figures

Infectious diseases, transmitted directly or indirectly, are among the leading causes of epidemics and pandemics. Consequently, several open challenges exist in predicting epidemic outbreaks, detecting variants, tracing contacts, discovering new drugs, and fighting misinformation. Artificial Intelligence (AI) can provide tools to deal with these scenarios, demonstrating promising results in the fight against the COVID-19 pandemic. AI is becoming increasingly integrated into various aspects of society. However, ensuring that AI benefits are distributed equitably and that they are used responsibly is crucial. Multiple countries are creating regulations to address these concerns, but the borderless nature of AI requires global cooperation to define regulatory and guideline consensus. Considering this, The Global South AI for Pandemic & Epidemic Preparedness & Response Network (AI4PEP) has developed an initiative comprising 16 projects across 16 countries in the Global South, seeking to strengthen equitable and responsive public health systems that leverage Southern-led responsible AI solutions to improve prevention, preparedness, and response to emerging and re-emerging infectious disease outbreaks. This opinion introduces our branches in Latin American and Caribbean (LAC) countries and discusses AI governance in LAC in the light of biotechnology. Our network in LAC has high potential to help fight infectious diseases, particularly in low- and middle-income countries, generating opportunities for the widespread use of AI techniques to improve the health and well-being of their communities.

With U.S. healthcare spending approaching $5T (NHE Fact Sheet 2024), and 25% of it estimated to be wasteful (Waste in the US the health care system: estimated costs and potential for savings, n.d.), the need to better predict risk and optimal patient care is evermore important. This paper introduces the Large Medical Model (LMM), a generative pre-trained transformer (GPT) designed to guide and predict the broad facets of patient care and healthcare administration. The model is trained on medical event sequences from over 140M longitudinal patient claims records with a specialized vocabulary built from medical terminology systems and demonstrates a superior capability to forecast healthcare costs and identify potential risk factors. Through experimentation and validation, we showcase the LMM's proficiency in not only in cost and risk predictions, but also in discerning intricate patterns within complex medical conditions and an ability to identify novel relationships in patient care. The LMM is able to improve both cost prediction by 14.1% over the best commercial models and chronic conditions prediction by 1.9% over the best transformer models in research predicting a broad set of conditions. The LMM is a substantial advancement in healthcare analytics, offering the potential to significantly enhance risk assessment, cost management, and personalized medicine., Comment: 10 pages, 10 figures

Thanks to advances in plasma science and enabling technology, mirror machines are being reconsidered for fusion power plants and as possible fusion volumetric neutron sources. However cross-field transport and turbulence in mirrors remains relatively understudied compared to toroidal devices. Turbulence and transport in mirror configurations were studied utilizing the flexible magnetic geometry of the Large Plasma Device (LAPD). Multiple mirror ratios from $ M = 1 $ to $ M = 2.68 $ and three mirror-cell lengths from $L = 3.51 $m to $ L = 10.86 $m were examined. Langmuir and magnetic probes were used to measure profiles of density, temperature, potential, and magnetic field. The fluctuation-driven $ \tilde{ E } \times B $ particle flux was calculated from these quantities. Two probe correlation techniques were used to infer wavenumbers and two-dimensional structure. Cross-field particle flux and density fluctuation power decreased with increased mirror ratio. Core density and temperatures remain similar with mirror ratio, but radial line-integrated density increased. The physical expansion of the plasma in the mirror cell by using a higher field in the source region may have led to reduced density fluctuation power through the increased gradient scale length. This increased scale length reduced the growth rate and saturation level of rotational interchange and drift-like instabilities. Despite the introduction of magnetic curvature, no evidence of mirror driven instabilities -- interchange, velocity space, or otherwise -- were observed. For curvature-induced interchange, many possible stabilization mechanisms were present, suppressing the visibility of the instability., Comment: 20 pages, 18 figures

We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that facilitates BE calculations on extended systems using classical computers with limited memory resources. Benchmark data suggest the combination of these two strategies as a robust path in attaining the correlation energies of large realistic systems, combining the proven accuracy of BE with chemical and biological systems of interest in a lower computational cost method. Due to the flexible tunability of the resource requirements and systematic fragment construction, future developments in the realization of quantum computers naturally offer improved accuracy for multi-scale BE calculations., Comment: 11 pages, 10 figures

In this paper we prove necessary conditions for the boundedness of fractional operators on the variable Lebesgue spaces. More precisely, we find necessary conditions on an exponent function $\pp$ for a fractional maximal operator $M_\alpha$ or a non-degenerate fractional singular integral operator $T_\alpha$, $0 \leq \alpha < n$, to satisfy weak $(\pp,\qq)$ inequalities or strong $(\pp,\qq)$ inequalities, with $\qq$ being defined pointwise almost everywhere by % \[ \frac{1}{p(x)} - \frac{1}{q(x)} = \frac{\alpha}{n}. \] % We first prove preliminary results linking fractional averaging operators and the $K_0^\alpha$ condition, a qualitative condition on $\pp$ related to the norms of characteristic functions of cubes, and show some useful implications of the $K_0^\alpha$ condition. We then show that if $M_\alpha$ satisfies weak $(\pp,\qq)$ inequalities, then $\pp \in K_0^\alpha(\R^n)$. We use this to prove that if $M_\alpha$ satisfies strong $(\pp,\qq)$ inequalities, then $p_->1$. Finally, we prove a powerful pointwise estimate for $T_\alpha$ that relates $T_\alpha$ to $M_\alpha$ along a carefully chosen family of cubes. This allows us to prove necessary conditions for fractional singular integral operators similar to those for fractional maximal operators.

The high incidence of irreproducible research has led to urgent appeals for transparency and equitable practices in open science. For the scientific disciplines that rely on computationally intensive analyses of large data sets, a granular understanding of the analysis methodology is an essential component of reproducibility. This paper discusses the guiding principles of a computational reproducibility framework that enables a scientist to proactively generate a complete reproducible trace as analysis unfolds, and share data, methods and executable tools as part of a scientific publication, allowing other researchers to verify results and easily re-execute the steps of the scientific investigation.

Quantum computers can accurately compute ground state energies using phase estimation, but this requires a guiding state which has significant overlap with the true ground state.For large molecules and extended materials, it becomes difficult to find guiding states with good ground state overlap for growing molecule sizes. Additionally, the required number of qubits and quantum gates may become prohibitively large. One approach for dealing with these challenges is to use a quantum embedding method, which allows a reduction to one or multiple smaller quantum cores embedded in a larger quantum region. In such situations it is unclear how the embedding method affects the hardness of constructing good guiding states. In this work, we therefore investigate the preparation of guiding states in the context of quantum embedding methods. We extend previous work on quantum impurity problems, a framework in which we can rigorously analyze the embedding of a subset of orbitals. While there exist results for optimal active orbital space selection in terms of energy minimization, we rigorously demonstrate how the same principles can be used to define selected orbital spaces for state preparation in terms of the overlap with the ground state. Moreover, we perform numerical studies of molecular systems relevant to biochemistry, one field in which quantum embedding methods are required due to the large size of biomacromolecules such as proteins and nucleic acids. We investigate two different embedding strategies which can exhibit qualitatively different orbital entanglement. In all cases we demonstrate that the easy-to-obtain mean-field state will have a sufficiently high overlap with the target state to perform quantum phase estimation., Comment: 25 pages, 9 figures

While silicon solar cells dominate global photovoltaic energy production, their continued improvement is hindered by the single junction limit. One potential solution is to use molecular singlet exciton fission to generate two electrons from each absorbed high-energy photon. We demonstrate that the long-standing challenge of coupling molecular excited states to silicon solar cells can be overcome using sequential charge transfer. Combining zinc phthalocyanine, aluminum oxide, and a shallow junction crystalline silicon microwire solar cell, the peak charge generation efficiency per photon absorbed in tetracene is (138 +- 6)%, comfortably surpassing the quantum efficiency limit for conventional silicon solar cells and establishing a new, scalable approach to low cost, high efficiency photovoltaics., Comment: 34 pages, 14 figures

Modern graphics processing units (GPUs) provide an unprecedented level of computing power. In this study, we present a high-performance, multi-GPU implementation of the analytical nuclear gradient for Kohn-Sham time-dependent density functional theory (TDDFT), employing the Tamm-Dancoff approximation (TDA) and Gaussian-type atomic orbitals as basis functions. We discuss GPU-efficient algorithms for the derivatives of electron repulsion integrals and exchange-correlation functionals within the range-separated scheme. As an illustrative example, we calculated the TDA-TDDFT gradient of the S1 state of a full-scale green fluorescent protein with explicit water solvent molecules, totaling 4353 atoms, at the wB97X/def2-SVP level of theory. Our algorithm demonstrates favorable parallel efficiencies on a high-speed distributed system equipped with 256 Nvidia A100 GPUs, achieving >70% with up to 64 GPUs and 31% with 256 GPUs, effectively leveraging the capabilities of modern high-performance computing systems., Comment: 13 pages, 9 figures

We extend our previous demonstration of the first on-sky primary mirror segment closed-loop control on Keck using a vector-Zernike wavefront sensor (vZWFS), which improved the Strehl ratio on the NIRC2 science camera by up to 10 percentage points. Segment co-phasing errors contribute to Keck contrast limits and will be necessary to correct for the segmented Extremely Large Telescopes and future space missions. The goal of the post-AO vZWFS on Keck is to monitor and correct segment co-phasing errors in parallel with science observations. The ZWFS is ideal for measuring phase discontinuities and is one of the most sensitive WFSs, but has limited dynamic range. The Keck vZWFS consists of a metasurface mask imposing two different phase shifts to orthogonal polarizations, split into two pupil images, extending its dynamic range. We report on the vZWFS closed-loop co-phasing performance and early work towards understanding the interactions between the AO system and segment phasing. We discuss a comparison of the AO performance when co-phasing by aligning segment edges, as is currently done at Keck, compared with aligning to the average phase over the segments, as is done by the vZWFS., Comment: Proceedings of SPIE, 13097-61, 8 pages, 3 figures, 3 tables

The advent of quantum computing holds the potential to revolutionize various fields by solving complex problems more efficiently than classical computers. Despite this promise, practical quantum advantage is hindered by current hardware limitations, notably the small number of qubits and high noise levels. In this study, we leverage adiabatic quantum computers to optimize Kolmogorov-Arnold Networks, a powerful neural network architecture for representing complex functions with minimal parameters. By modifying the network to use Bezier curves as the basis functions and formulating the optimization problem into a Quadratic Unconstrained Binary Optimization problem, we create a fixed-sized solution space, independent of the number of training samples. This strategy allows for the optimization of an entire neural network in a single training iteration in which, due to order of operations, a majority of the processing is done using a collapsed version of the training dataset. This inherently creates extremely fast training speeds, which are validated experimentally, compared to classical optimizers including Adam, Stochastic Gradient Descent, Adaptive Gradient, and simulated annealing. Additionally, we introduce a novel rapid retraining capability, enabling the network to be retrained with new data without reprocessing old samples, thus enhancing learning efficiency in dynamic environments. Experiments on retraining demonstrate a hundred times speed up using adiabatic quantum computing based optimization compared to that of the gradient descent based optimizers, with theoretical models allowing this speed up to be much larger! Our findings suggest that with further advancements in quantum hardware and algorithm optimization, quantum-optimized machine learning models could have broad applications across various domains, with initial focus on rapid retraining., Comment: Major updates to the paper for timings and explanations of optimization strategies used. Further optimized the code and updated the figures to reflect the faster timings for v3

Bayesian inference provides a powerful tool for leveraging observational data to inform model predictions and uncertainties. However, when such data is limited, Bayesian inference may not adequately constrain uncertainty without the use of highly informative priors. Common approaches for constructing informative priors typically rely on either assumptions or knowledge of the underlying physics, which may not be available in all scenarios. In this work, we consider the scenario where data are available on a population of assets/individuals, which occurs in many problem domains such as biomedical or digital twin applications, and leverage this population-level data to systematically constrain the Bayesian prior and subsequently improve individualized inferences. The approach proposed in this paper is based upon a recently developed technique known as data-consistent inversion (DCI) for constructing a pullback probability measure. Succinctly, we utilize DCI to build population-informed priors for subsequent Bayesian inference on individuals. While the approach is general and applies to nonlinear maps and arbitrary priors, we prove that for linear inverse problems with Gaussian priors, the population-informed prior produces an increase in the information gain as measured by the determinant and trace of the inverse posterior covariance. We also demonstrate that the Kullback-Leibler divergence often improves with high probability. Numerical results, including linear-Gaussian examples and one inspired by digital twins for additively manufactured assets, indicate that there is significant value in using these population-informed priors., Comment: Corrected typos

The blue-green phosphorescence/thermoluminescence is most commonly observed in diamonds following excitation at or above the indirect band gap and has been explained by a substitutional nitrogen-boron donor-acceptor pair recombination model. Orange and red phosphorescence have also been frequently observed in lab-grown near-colourless high-pressure high-temperature diamonds following optical excitation, and their luminescence mechanisms are shown to be different from that of the blue-green phosphorescence. The physics of the orange and red luminescence and phosphorescence bands including the optical-excitation dependency (UV-NIR), temperature dependency (20 - 573 K), and related charge transfer process are investigated by a combination of self-built time-resolved imaging/spectroscopic techniques. In this paper, an alternative model for long-lived phosphorescence based on charge trapping is proposed to explain the orange phosphorescence/ thermoluminescence band. Additionally, the red phosphorescence band are attributed to point defect which possibly has a three-level phosphorescence system., Comment: 11 pages, 9 figures

1 ps timing resolution is the entry point to signature based searches relying on secondary/tertiary vertices and particle identification. We describe a preliminary design for PSEC5, an 8-channel 40 GS/s waveform-sampling ASIC in the TSMC 65 nm process targetting 1 ps resolution at 20 mW power per channel. Each channel consists of four fast and one slow switched capacitor arrays (SCA), allowing ps time resolution combined with a long effective buffer. Each fast SCA is 1.6 ns long and has a nominal sampling rate of 40 GS/s. The slow SCA is 204.8 ns long and samples at 5 GS/s. Recording of the analog data for each channel is triggered by a fast discriminator capable of multiple triggering during the window of the slow SCA. To achieve a large dynamic range, low leakage, and high bandwidth, the SCA sampling switches are implemented as 2.5 V nMOSFETs controlled by 1.2 V shift registers. Stored analog data are digitized by an external ADC at 10 bits or better. Specifications on operational parameters include a 4 GHz analog bandwidth and a dead time of 20 microseconds, corresponding to a 50 kHz readout rate, determined by the choice of the external ADC., Comment: 16th Pisa Meeting on Advanced Detectors

In large lakes, ice cover plays an important role in shipping and navigation, coastal erosion, regional weather and climate, and aquatic ecosystem function. In this study, a novel deep learning model for ice cover concentration prediction in Lake Michigan is introduced. The model uses hindcasted meteorological variables, water depth, and shoreline proximity as inputs, and NOAA ice charts for training, validation, and testing. The proposed framework leverages Convolution Long Short-Term Memory (ConvLSTM) and Convolution Neural Network (CNN) to capture both spatial and temporal dependencies between model input and output to simulate daily ice cover at 0.1{\deg} resolution. The model performance was assessed through lake-wide average metrics and local error metrics, with detailed evaluations conducted at six distinct locations in Lake Michigan. The results demonstrated a high degree of agreement between the model's predictions and ice charts, with an average RMSE of 0.029 for the daily lake-wide average ice concentration. Local daily prediction errors were greater, with an average RMSE of 0.102. Lake-wide and local errors for weekly and monthly averaged ice concentrations were reduced by almost 50% from daily values. The accuracy of the proposed model surpasses currently available physics-based models in the lake-wide ice concentration prediction, offering a promising avenue for enhancing ice prediction and hindcasting in large lakes.

Rogue waves are fascinating large amplitude coherent structures that abruptly appear and then disappear soon after. In certain partial differential equations these waves are modeled by rational solutions. In this work we discuss approximating rogue wave solutions in a basis of orthogonal functions known as the Malmquist-Takenaka (MT) functions. This family of rational functions can be directly mapped to a modified Fourier series, allowing the fast Fourier transform computation of the spectral MT coefficients. Spectral differentiation matrices are derived. The approximation of the various rogue wave solutions in the nonlinear Schrodinger (NLS) equation is explored. The unstable nature of the NLS equation on a constant background and its effect on destabilizing and generating rogue waves is studied. Perturbing the constant solution with certain localized functions is found to generate rogue wave-like structures.

Forecasting high-dimensional dynamical systems is a fundamental challenge in various fields, such as geosciences and engineering. Neural Ordinary Differential Equations (NODEs), which combine the power of neural networks and numerical solvers, have emerged as a promising algorithm for forecasting complex nonlinear dynamical systems. However, classical techniques used for NODE training are ineffective for learning chaotic dynamical systems. In this work, we propose a novel NODE-training approach that allows for robust learning of chaotic dynamical systems. Our method addresses the challenges of non-convexity and exploding gradients associated with underlying chaotic dynamics. Training data trajectories from such systems are split into multiple, non-overlapping time windows. In addition to the deviation from the training data, the optimization loss term further penalizes the discontinuities of the predicted trajectory between the time windows. The window size is selected based on the fastest Lyapunov time scale of the system. Multi-step penalty(MP) method is first demonstrated on Lorenz equation, to illustrate how it improves the loss landscape and thereby accelerates the optimization convergence. MP method can optimize chaotic systems in a manner similar to least-squares shadowing with significantly lower computational costs. Our proposed algorithm, denoted the Multistep Penalty NODE, is applied to chaotic systems such as the Kuramoto-Sivashinsky equation, the two-dimensional Kolmogorov flow, and ERA5 reanalysis data for the atmosphere. It is observed that MP-NODE provide viable performance for such chaotic systems, not only for short-term trajectory predictions but also for invariant statistics that are hallmarks of the chaotic nature of these dynamics., Comment: 25 pages, 17 Figures, submitted to Computer Methods in Applied Mechanics and Engineering

We seek to identify genes involved in Parkinson's Disease (PD) by combining information across different experiment types. Each experiment, taken individually, may contain too little information to distinguish some important genes from incidental ones. However, when experiments are combined using the proposed statistical framework, additional power emerges. The fundamental building block of the family of statistical models that we propose is a hierarchical three-group mixture of distributions. Each gene is modeled probabilistically as belonging to either a null group that is unassociated with PD, a deleterious group, or a beneficial group. This three-group formalism has two key features. By apportioning prior probability of group assignments with a Dirichlet distribution, the resultant posterior group probabilities automatically account for the multiplicity inherent in analyzing many genes simultaneously. By building models for experimental outcomes conditionally on the group labels, any number of data modalities may be combined in a single coherent probability model, allowing information sharing across experiment types. These two features result in parsimonious inference with few false positives, while simultaneously enhancing power to detect signals. Simulations show that our three-groups approach performs at least as well as commonly-used tools for GWAS and RNA-seq, and in some cases it performs better. We apply our proposed approach to publicly-available GWAS and RNA-seq datasets, discovering novel genes that are potential therapeutic targets., Comment: 26 pages, 6 figures, 4 tables

This paper explores the potential of a hybrid modeling approach that combines machine learning (ML) with conventional physics-based modeling for weather prediction beyond the medium range. It extends the work of Arcomano et al. (2022), which tested the approach for short- and medium-range weather prediction, and the work of Arcomano et al. (2023), which investigated its potential for climate modeling. The hybrid model used for the forecast experiments of the paper is based on the low-resolution, simplified parameterization atmospheric general circulation model SPEEDY. In addition to the hybridized prognostic variables of SPEEDY, the model has three purely ML-based prognostic variables: the 6h cumulative precipitation, the sea surface temperature, and the heat content of the top 300m deep layer of the ocean (a new addition compared to the model used in Arcomano et al., 2023). The model has skill in predicting the El Nino cycle and its global teleconnections with precipitation for 3-7 months depending on the season. The model captures equatorial variability of the precipitation associated with Kelvin and Rossby waves and MJO. Predictions of the precipitation in the equatorial region have skill for 15 days in the East Pacific and 11.5 days in the West Pacific. Though the model has low spatial resolution, for these tasks it has prediction skill comparable to what has been published for high-resolution, purely physics-based, conventional, operational forecast models.

We present a lightweight, easy-to-train, low-resolution, fully data-driven climate emulator, LUCIE, that can be trained on as low as $2$ years of $6$-hourly ERA5 data. Unlike most state-of-the-art AI weather models, LUCIE remains stable and physically consistent for $100$ years of autoregressive simulation with $100$ ensemble members. Long-term mean climatology from LUCIE's simulation of temperature, wind, precipitation, and humidity matches that of ERA5 data, along with the variability. We further demonstrate how well extreme weather events and their return periods can be estimated from a large ensemble of long-term simulations. We further discuss an improved training strategy with a hard-constrained first-order integrator to suppress autoregressive error growth, a novel spectral regularization strategy to better capture fine-scale dynamics, and finally an optimization algorithm that enables data-limited (as low as $2$ years of $6$-hourly data) training of the emulator without losing stability and physical consistency. Finally, we provide a scaling experiment to compare the long-term bias of LUCIE with respect to the number of training samples. Importantly, LUCIE is an easy to use model that can be trained in just $2.4$h on a single A-100 GPU, allowing for multiple experiments that can explore important scientific questions that could be answered with large ensembles of long-term simulations, e.g., the impact of different variables on the simulation, dynamic response to external forcing, and estimation of extreme weather events, amongst others.

We present a novel method for generating sequential parameter estimates and quantifying epistemic uncertainty in dynamical systems within a data-consistent (DC) framework. The DC framework differs from traditional Bayesian approaches due to the incorporation of the push-forward of an initial density, which performs selective regularization in parameter directions not informed by the data in the resulting updated density. This extends a previous study that included the linear Gaussian theory within the DC framework and introduced the maximal updated density (MUD) estimate as an alternative to both least squares and maximum a posterior (MAP) estimates. In this work, we introduce algorithms for operational settings of MUD estimation in real or near-real time where spatio-temporal datasets arrive in packets to provide updated estimates of parameters and identify potential parameter drift. Computational diagnostics within the DC framework prove critical for evaluating (1) the quality of the DC update and MUD estimate and (2) the detection of parameter value drift. The algorithms are applied to estimate (1) wind drag parameters in a high-fidelity storm surge model, (2) thermal diffusivity field for a heat conductivity problem, and (3) changing infection and incubation rates of an epidemiological model., Comment: 29 pages, 9 Figures, Code available at https://github.com/UT-CHG/pyDCI

Many vertebrate motor and sensory systems decussate, or cross the midline to the opposite side of the body. The successful crossing of millions of axons during development requires a complex of tightly controlled regulatory processes. Because these processes have evolved in many distinct systems and organisms, it seems reasonable to presume that decussation confers a significant functional advantage. Yet if this is so, the nature of this advantage is not understood. In this article, we examine constraints imposed by topology on the ways that a three-dimensional processor and environment can be wired together in a continuous, somatotopic, way. We show that as the number of wiring connections grows, decussated arrangements become overwhelmingly more robust against wiring errors than seemingly simpler same-sided wiring schemes. These results provide a predictive approach for understanding how 3D networks must be wired if they are to be robust, and therefore have implications both for future large-scale computational networks and for complex bio-medical devices, Comment: 15 pages, 8 figures

Exploratory missions have found that regolith on interplanetary bodies can be loosely packed and freely flowing, a state that strongly affects mission plans and that may also influence the large scale shapes of these bodies. We investigate whether notable circumferential ridges seen on Saturn's moons may be a byproduct of free flow of loosely packed regolith. Such ridges and other features likely record the history of the moons, and we find that if surface grains are freely flowing, then the combined gravity of Saturn itself and its tenuous ring generate similar circumferential features. Moreover, analysis of these features reveals the possibility of previously unreported morphologies, for example a stationary torus around a non rotating satellite. Some of these features persist even for a very low density and distant disk. This raises the prospect that nonlinear analysis of interactions from disks to moons and back again may lead to new insights., Comment: 21 pages, 8 figures

Large quantities of random numbers are crucial in a wide range of applications. We have recently demonstrated that perpendicular nanopillar magnetic tunnel junctions (pMTJs) can produce true random bits when actuated with short pulses. However, our implementation used high-end and expensive electronics, such as a high bandwidth arbitrary waveform generator and analog-to-digital converter, and was limited to relatively low data rates. Here, we significantly increase the speed of true random number generation (TRNG) of our stochastic actuated pMTJs (SMART-pMTJs) using Field Programmable Gate Arrays (FPGAs), demonstrating the generation of over $10^{12}$ bits at rates exceeding 10Mb/s. The resulting bitstreams pass the NIST Statistical Test Suite for randomness with only one XOR operation. In addition to a hundred-fold reduction in the setup cost and a thousand-fold increase in bitrate, the advancement includes simplifying and optimizing random bit generation with a custom-designed analog daughter board to interface an FPGA and SMART-pMTJ. The resulting setup further enables FPGA at-speed processing of MTJ data for stochastic modeling and cryptography., Comment: 4 pages, 5 figures

We formulate a novel approach to solve a class of stochastic problems, referred to as data-consistent inverse (DCI) problems, which involve the characterization of a probability measure on the parameters of a computational model whose subsequent push-forward matches an observed probability measure on specified quantities of interest (QoI) typically associated with the outputs from the computational model. Whereas prior DCI solution methodologies focused on either constructing non-parametric estimates of the densities or the probabilities of events associated with the pre-image of the QoI map, we develop and analyze a constrained quadratic optimization approach based on estimating push-forward measures using weighted empirical distribution functions. The method proposed here is more suitable for low-data regimes or high-dimensional problems than the density-based method, as well as for problems where the probability measure does not admit a density. Numerical examples are included to demonstrate the performance of the method and to compare with the density-based approach where applicable., Comment: 26 pages, 19 figures

We present the first on-sky segmented primary mirror closed-loop piston control using a Zernike wavefront sensor (ZWFS) installed on the Keck II telescope. Segment co-phasing errors are a primary contributor to contrast limits on Keck and will be necessary to correct for the next generation of space missions and ground-based extremely large telescopes (ELTs), which will all have segmented primary mirrors. The goal of the ZWFS installed on Keck is to monitor and correct primary mirror co-phasing errors in parallel with science observations. The ZWFS is ideal for measuring phase discontinuities such as segment co-phasing errors and is one of the most sensitive WFS, but has limited dynamic range. The vector-ZWFS at Keck works on the adaptive optics (AO) corrected wavefront and consists of a metasurface focal plane mask which imposes two different phase shifts on the core of the point spread function (PSF) to two orthogonal light polarizations, producing two pupil images. This design extends the dynamic range compared with the scalar ZWFS. The primary mirror segment pistons were controlled in closed-loop using the ZWFS, improving the Strehl ratio on the NIRC2 science camera by up to 10 percentage points. We analyze the performance of the closed-loop tests, the impact on NIRC2 science data, and discuss the ZWFS measurements., Comment: Accepted for publication in the Astrophysical Journal (ApJ). 17 pages, 16 figures