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DOE OSTI2024

Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)

Leveraging the chemical data available in legacy formats such as publications and patents is a significant challenge for the community. Automated reaction mining offers a promising solution to unleash this knowledge into a learnable digital form and therefore help expedite materials and reaction discovery. However, existing reaction mining toolkits are limited to single input modalities (text or images) and cannot effectively integrate heterogeneous data that is scattered across text, tables, and figures. In this work, we go beyond single input modalities and explore multimodal large language models (MLLMs) for the analysis of diverse data inputs for automated electrosynthesis reaction mining. We compiled a test dataset of 65 articles (MERMES-T24 set) and employed it to benchmark five prominent MLLMs against two critical tasks: (i) reaction diagram parsing and (ii) resolving cross-modality data interdependencies. The frontrunner MLLM achieved ≥96% accuracy in both tasks, with the strategic integration of single-shot visual prompts and image pre-processing techniques. We integrate this capability into a toolkit named MERMES (multimodal reaction mining pipeline for electrosynthesis). Our toolkit functions as an end-to-end MLLM-powered pipeline that integrates article retrieval, information extraction and multimodal analysis for streamlining and automating knowledge extraction. This work lays the groundwork for the increased utilization of MLLMs to accelerate the digitization of chemistry knowledge for data-driven research.

Leong, Shi Xuan↗

DOE OSTI2020

Nonlinear bubble competition of the multimode ablative Rayleigh–Taylor instability and applications to inertial confinement fusion

The self-similar nonlinear evolution of the multimode ablative Rayleigh–Taylor instability (RTI) and the ablation-generated vorticity effect are studied for a range of initial conditions. We show that, unlike classical RTI, the nonlinear multimode bubble-front evolution remains in the bubble competition regime due to ablation-generated vorticity, which accelerates the bubbles, thereby preventing a transition into the bubble-merger regime. We develop an analytical bubble competition model to describe the linear and nonlinear stages of ablative RTI. Here, we show that vorticity inside the multimode bubbles is most significant at small scales with large initial perturbation. Since these small scales persist in the bubble competition regime, the self-similar growth coefficient ab can be enhanced by up to 30% relative to ablative bubble competition without vorticity effects. We use the ablative bubble competition model to explain the hydrodynamic stability boundary observed in OMEGA low-adiabat implosion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Identification of Blue Horizontal Branch Stars with Multimodal Fusion

Blue Horizontal Branch stars (BHBs) are ideal tracers to probe the global structure of the milky Way (MW), and the increased size of the BHB star sample could be helpful to accurately calculate the MW's enclosed mass and kinematics. Large survey telescopes have produced an increasing number of astronomical images and spectra. However, traditional methods of identifying BHBs are limited in dealing with the large scale of astronomical data. A fast and efficient way of identifying BHBs can provide a more significant sample for further analysis and research. Therefore, in order to fully use the various data observed and further improve the identification accuracy of BHBs, we have innovatively proposed and implemented a Bi-level attention mechanism-based Transformer multimodal fusion model, called Bi-level Attention in the Transformer with Multimodality (BATMM). The model consists of a spectrum encoder, an image encoder, and a Transformer multimodal fusion module. The Transformer enables the effective fusion of data from two modalities, namely image and spectrum, by using the proposed Bi-level attention mechanism, including cross-attention and self-attention. As a result, the information from the different modalities complements each other, thus improving the accuracy of the identification of BHBs. The experimental results show that the F1 score of the proposed BATMM is 94.78%, which is 21.77% and 2.76% higher than the image and spectral unimodality, respectively. It is therefore demonstrated that higher identification accuracy of BHBs can be achieved by means of using data from multiple modalities and employing an efficient data fusion strategy.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Seamless High-Q Microwave Cavities for Multimode Circuit Quantum Electrodynamics

Multimode cavity quantum electrodynamics ---where a two-level system interacts simultaneously with many cavity modes---provides a versatile framework for quantum information processing and quantum optics. Due to the combination of long coherence times and large interaction strengths, one of the leading experimental platforms for cavity QED involves coupling a superconducting circuit to a 3D microwave cavity. In this work, we realize a 3D multimode circuit QED system with single photon lifetimes of $2$ ms and cooperativities of $0.5-1.5\times10^9$ across 9 modes of a novel seamless cavity. We demonstrate a variety of protocols for universal single-mode quantum control applicable across all cavity modes, using only a single drive line. We achieve this by developing a straightforward flute method for creating monolithic superconducting microwave cavities that reduces loss while simultaneously allowing control of the mode spectrum and mode-qubit interaction. We highlight the flexibility and ease of implementation of this technique by using it to fabricate a variety of 3D cavity geometries, providing a template for engineering multimode quantum systems with exceptionally low dissipation. This work is an important step towards realizing hardware efficient random access quantum memories and processors, and for exploring quantum many-body physics with photons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Multimodal Approach Reveals the Symmetry-Breaking Pathway to the Broken Helix in EuIn 2 ⁢As 2

Understanding and manipulating emergent phases, which are themes at the forefront of quantum-materials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and magnetic degrees of freedom, in which magnetic order influences the electronic band structure and can lead to exotic topological effects. However, identifying symmetry of a magnetically ordered phase can pose a challenge, particularly in the presence of small domains. Here we introduce a multimodal approach for determining magnetic structures, which combines symmetry-sensitive optical probes, scattering, and group-theoretical analysis. We apply it to EuIn 2 ⁢As 2 , a material that has received attention as a candidate axion insulator. While first-principles calculations predict this state on the assumption of a simple collinear antiferromagnetic structure, subsequent neutron-scattering measurements reveal a much more intricate magnetic ground state characterized by two coexisting magnetic wave vectors reached by successive thermal phase transitions. The proposed high- and low-temperature phases are a spin helix and a state with interpenetrating helical and Néel antiferromagnetic order termed a “broken helix,” respectively. Employing a multimodal approach, we identify the magnetic structure associated with these two phases of EuIn 2 ⁢As 2 . We find that the higher-temperature phase is characterized by a variation of the magnetic moment amplitude from layer to layer, with the moment vanishing entirely in every third Eu layer. The lower-temperature structure is similar to the broken helix, with one important difference: Because of local strain, the relative orientation of the magnetic structure and the lattice is not fixed. Consequently, the symmetry required to protect the axion phase is not generically protected in EuIn 2 ⁢As 2 , but we show that it can be restored if the magnetic structure is tuned with uniaxial strain. Finally, we present a spin Hamiltonian that identifies the spin interactions that account for the complex magnetic order in EuIn 2 ⁢As 2 . Our work highlights the importance of a multimodal approach in determining the symmetry of complex order parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Highly cascaded first-order fiber Bragg gratings in highly multimode optical fibers for distributed temperature sensing under harsh environment conditions

This study presents a pioneering technique for fabricating highly cascaded first-order fiber Bragg gratings (FBGs) using a femtosecond laser-assisted point-by-point inscription method in highly multimode optical fibers, specifically Sapphire crystalline fiber, and pure silica coreless fiber. Notably, it marks the first successful demonstration of a distributed array comprising 10 FBGs within highly multimode fibers. This achievement is facilitated by a high-power laser technique that yields larger reflectors characterized by a Gaussian intensity profile. These first-order FBGs offer various advantages, including enhanced reflectivity, reduced fabrication time, and simplified spectral characteristics, enhancing their accessibility for interpretation when contrasted with higher-order FBGs. In addition to that it encompasses a comprehensive analysis of the robustness and efficacy of these FBGs, with particular emphasis on their ability to endure extreme temperatures. These FBGs demonstrate an advantageous capability for localized multi-point temperature monitoring, reaching temperatures up to 1500°C with sapphire crystalline fiber and 1100°C with pure silica coreless fiber. This resilience makes them suitable for deployment in harsh environmental conditions. This innovative approach substantially broadens the potential applications of highly multimode optical fibers, particularly in the arena of sensing and communication, where challenges related to thermal gradients and harsh environments prevail. Furthermore, these groundbreaking first-order FBGs signify a substantial advancement in the realm of distributed temperature sensing, offering supreme capabilities for temperature monitoring and signal stability. As such, our work holds the promise of a substantial impact on industries and applications that demand unwavering reliability under extreme conditions.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

In planta single-molecule imaging and holographic force spectroscopy to study real-time, multimodal turnover dynamics of polysaccharides and associated carbohydrate metabolites

Cellular production of polysaccharides from simple sugar molecules serves critical roles in a variety of metabolic processes essential to the survival of every living organism. In the context of photosynthetically fixed carbon, cell wall polysaccharides synthesis is particularly of interest for increased biomass accumulation for human food, animal feed, and bioenergy related applications. Despite a long history of research in plant cell biology, our understanding of in planta cell wall biosynthesis and its regulation is far from complete due to lack of a comprehensive microscopy toolkit that encompass the multiple spatial and temporal scales in which cell wall polysaccharides fibrils are synthesized and assembled into intricate cell wall networks. In this project, a multidisciplinary team of scientists from Rutgers University, Vanderbilt University, and Oak Ridge National Laboratory carried out innovative multimodal, multiscale microscopy studies of cell wall synthesis using single-molecule force-spectroscopy, super-resolution fluorescence microscopy, and in vivo live cell imaging. Our novel multimodal and holistic imaging approach revealed plant cell wall polysaccharides synthesis processes in unprecedented detail across multiple spatiotemporal scales, from a single-molecule to a single-cell. Besides, the team has made technical and scientific innovations across multiple research fields—microscopy, bioengineering, single-molecule biophysics, and plant biology, etc.—to accomplish the goals. The results from this project will greatly advance the mechanistic and holistic understanding of in planta cell wall synthesis, which will accelerate the development of better transgenic crops for bioenergy applications. Moreover, the new toolbox, combining powerful advanced microscopy assays with cell/protein engineering, will have broader impacts on molecular and cellular biology fields by paving the way for studying cellular processes occurring across multiple physical scales with multimodal microscopy methodologies.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Multimodality in the Search for New Physics in Pulsar Timing Data and the Case of Kination-amplified Gravitational-wave Background from Inflation

We investigate the kination-amplified inflationary gravitational-wave background (GWB) interpretation of the signal recently reported by various pulsar timing array (PTA) experiments. Kination is a post-inflationary phase in the expansion history dominated by the kinetic energy of some scalar field, characterized by a stiff equation of state w = 1. Within the inflationary GWB model, we identify two modes that can fit the current data sets (NANOGrav and EPTA) with equal likelihood: the kination-amplification (KA) mode and the ordinary, no-kination-amplification (no-KA) mode. The multimodality of the likelihood motivates a Bayesian analysis with nested sampling. We analyze the free spectra of current PTA data and mock free spectra constructed with higher signal-to-noise ratios using nested sampling. The analysis of the mock spectrum designed to be consistent with the best fit to the NANOGrav 15 yr (NG15) data successfully reveals the expected bimodal posterior for the first time while excluding the reheating mode that appears in the fit to the current NG15 data, making a case for our correct and comprehensive treatment of potential multimodal posteriors arising from future PTA data sets. The resultant Bayes factor is $\mathcal{B}$ $\equiv$ Z no–KA /Z KA = 2.9 ± 1.9, indicating comparable statistical significance between the two modes. Given the theoretical model-building challenges of producing highly blue-tilted primordial tensor spectra, the KA mode has the advantage of requiring less blue primordial spectra, compared with the no-KA mode. The synergy between future cosmic microwave background polarization, pulsar timing, and laser interferometer measurements of gravitational waves will help resolve the ambiguity implied by the multimodal posterior in PTA-only searches.

Cosmology↗

NASA NTRS1977

Far-field multimodal acoustic radiation directivity

A comparison is made between approximate equations for far-field acoustic radiation patterns and exact equations for single and multimodal excitations in order to determine the validity range for the approximate approach. It is found that for single-mode cases: (1) the gross behavior of the primary lobes is adequately described by the approximate equations, (2) some error is found for lower and zero radial order modes, and (3) some agreement is yielded between exact and approximate sidelobes, although the approximate equation was not intended to simulate sidelobes. Multimodal approximate equations are compared to exact equations for various distributions of modal power; for all cases excellent agreement is found. For multimodal patterns it is noted that many modes influence the final level and shape of the directivity curve, although the major contributions are from the higher radial order modes.

Saule, A. V.↗

NASA NTRS1990

Study of wavelength division multiplexing as a means of increasing the number of channels in multimode fiber optic communication links

A number of optical communication lines are now in use at the Kennedy Space Center (KSC) for the transmission of voice, computer data, and video signals. Presently, all of these channels utilize a single carrier wavelength centered near 1300 nm. The theoretical bandwidth of the fiber far exceeds the utilized capacity. Yet, practical considerations limit the usable bandwidth. The fibers have the capability of transmitting a multiplicity of signals simultaneously in each of two separate bands (1300 and 1550 nm). Thus, in principle, the number of transmission channels can be increased without installing new cable if some means of wavelength division multiplexing (WDM) can be utilized. The main goal of these experiments was to demonstrate that a factor of 2 increase in bandwidth utilization can share the same fiber in both a unidirectional configuration and a bidirectional mode of operation. Both signal and multimode fiber are installed at KSC. The great majority is multimode; therefore, this effort concentrated on multimode systems.

Bates, Harry↗

NASA NTRS1991

Reflection Effects in Multimode Fiber Systems Utilizing Laser Transmitters

A number of optical communication lines are now in use at NASA-Kennedy for the transmission of voice, computer data, and video signals. Now, all of these channels use a single carrier wavelength centered near 1300 or 1550 nm. Engineering tests in the past have given indications of the growth of systematic and random noise in the RF spectrum of a fiber network as the number of connector pairs is increased. This noise seems to occur when a laser transmitter is used instead of a LED. It has been suggested that the noise is caused by back reflections created at connector fiber interfaces. Experiments were performed to explore the effect of reflection on the transmitting laser under conditions of reflective feedback. This effort included computer integration of some of the instrumentation in the fiber optic lab using the Lab View software recently acquired by the lab group. The main goal was to interface the Anritsu Optical and RF spectrum analyzers to the MacIntosh II computer so that laser spectra and network RF spectra could be simultaneously and rapidly acquired in a form convenient for analysis. Both single and multimode fiber is installed at Kennedy. Since most are multimode, this effort concentrated on multimode systems.

Bates, Harry E.↗

NASA NTRS1992

Multimode fiber-optic broad spectral band interferometer

An interferometric technique for observing white light fringes on a mode-by-mode basis in long lengths of few-mode fiber is described. Each mode can be used as a separate channel with negligible cross talk from other modes because of the highly localized nature of interference. The spatial-mode separation technique makes it possible to observe the interference fringes without loss of visibility caused by multimode overlap effects. The high-contrast, broadband fringes observed in the multimode interference experiments indicate that a multimode fiber is capable of maintaining the coherence of injected light well beyond the point where intermodal path differences exceed the temporal coherence length.

Shaklan, S.↗

NASA NTRS1993

Decoherence of multimode thermal squeezed coherent states

It is well known that any multimode positive definite quadratic Hamiltonian can be transformed into a Hamiltonian of uncoupled harmonic oscillators. Based on this theorem, the multimode thermal squeezed coherent states are constructed in terms of density operators. Decoherence of multimode thermal squeezed coherent states is investigated via the characteristic function and it is shown that the decohered (reduced) states are still thermal squeezed coherent states in general.

Yeh, Leehwa↗

NASA NTRS1999

Multimode-Optical-Fiber Imaging Probe

Currently, endoscopic surgery uses single-mode fiber-bundles to obtain in vivo image information inside the orifices of the body. This limits their use to the larger natural orifices and to surgical procedures where there is plenty of room for manipulation. The knee joint, for example, can be easily viewed with a fiber optic viewer, but joints in the finger cannot. However, there are a host of smaller orifices where fiber endoscopy would play an important role if a cost effective fiber probe were developed with small enough dimensions (less than or equal to 250 microns). Examples of beneficiaries of micro-endoscopes are the treatment of the Eustatian tube of the middle ear, the breast ducts, tear ducts, coronary arteries, fallopian tubes, as well as the treatment of salivary duct parotid disease, and the neuro endoscopy of the ventricles and spinal canal. This work describes an approach for recovering images from tightly confined spaces using multimode. The concept draws upon earlier works that concentrated on image recovery after two-way transmission through a multimode fiber as well as work that demonstrated the recovery of images after one-way transmission through a multimode fiber. Both relied on generating a phase conjugated wavefront, which was predistorted with the characteristics of the fiber. The approach described here also relies on generating a phase conjugated wavefront, but utilizes two fibers to capture the image at some intermediate point (accessible by the fibers, but which is otherwise visually inaccessible).

Jackson, Deborah↗

NASA NTRS2000

Multimode-Optical-Fiber Imaging Probe

Currently, endoscopic surgery uses single-mode fiber-bundles to obtain in vivo image information inside orifices of the body. This limits their use to the larger natural bodily orifices and to surgical procedures where there is plenty of room for manipulation. The knee joint, for example can be easily viewed with a fiber optic viewer, but joints in the finger cannot. However, there are a host of smaller orifices where fiber endoscopy would play an important role if a cost effective fiber probe were developed with small enough dimensions (< 250 microns). Examples of beneficiaries of micro-endoscopes are the treatment of the Eustatian tube of the middle ear, the breast ducts, tear ducts, coronary arteries, fallopian tubes, as well as the treatment of salivary duct parotid disease, and the neuro endoscopy of the ventricles and spinal canal. To solve this problem, this work describes an approach for recovering images from. tightly confined spaces using multimode fibers and analytically demonstrates that the concept is sound. The proof of concept draws upon earlier works that concentrated on image recovery after two-way transmission through a multimode fiber as well as work that demonstrated the recovery of images after one-way transmission through a multimode fiber. Both relied on generating a phase conjugated wavefront which was predistorted with the characteristics of the fiber. The described approach also relies on generating a phase conjugated wavefront, but utilizes two fibers to capture the image at some intermediate point (accessible by the fibers, but which is otherwise visually unaccessible).

Jackson, Deborah↗

NASA NTRS2000

High Resolution Multimode Fiber Image Recovery

The research emphasis is on developing a cost-effective method of recovering image information from small, closely confined spaces using multimode fibers. The state-of-the-art good quality-viewing fiber, which can currently be used for performing this function, is a 0.5 mm diameter bundle containing 6000 pixels at a cost of $10,000 per fiber bundle. However, these fiber bundles are very fragile and can easily break during surgical use, thereby making instrument reliability and replacement cost,a major impediment to their routine use in many applications. The advantage of working with a single multimode fiber is that it is significantly less expensive and mechanically more robust. In addition, careful choice of numerical aperture allows a higher image resolution (roughly 750,000 pixels) with a 0.5 mm diameter multimode fiber.

Jackson, Deborah↗

NASA NTRS2000

Effects of Restricted Launch Conditions for the Enhancement of Bandwidth-Distance Product of Multimode Fiber Links

Several techniques had been proposed to enhance multimode fiber bandwidth-distance product. Single mode-to-multimode offset launch condition technique had been experimented with at Kennedy Space Center. Significant enhancement in multimode fiber link bandwidth is achieved using this technique. It is found that close to three-fold bandwidth enhancement can be achieved compared to standard zero offset launch technique. Moreover, significant reduction in modal noise has been observed as a function of offset launch displacement. However, significant reduction in the overall signal-to-noise ratio is also observed due to signal attenuation due to mode radiation from fiber core to its cladding.

Andrawis, Alfred S.↗

NASA NTRS2000

Optimization of Connector Position Offset for Bandwidth Enhancement of a Multimode Optical Fiber Link

The multimode fiber bandwidth enhancement techniques to meet the Gigabit Ethernet standards for local area networks (LAN) of the Kennedy Space Center and other NASA centers have been discussed. Connector with lateral offset coupling between single mode launch fiber cable and the multimode fiber cable has been thoroughly investigated. An optimization of connector position offset for 8 km long optical fiber link at 1300 nm with 9 micrometer diameter single mode fiber (SMF) and 50 micrometer diameter multimode fiber (MMF) coupling has been obtained. The optimization is done in terms of bandwidth, eye-pattern, and bit pattern measurements. It is simpler, is a highly practical approach and is cheaper as no additional cost to manufacture the offset type of connectors is involved.

Rawat, Banmali↗