Daily Papers

Measuring soil health indicators is an important and challenging task that affects farmers' decisions on timing, placement, and quantity of fertilizers applied in the farms. Most existing methods to measure soil health indicators (SHIs) are in-lab wet chemistry or spectroscopy-based methods, which require significant human input and effort, time-consuming, costly, and are low-throughput in nature. To address this challenge, we develop an artificial intelligence (AI)-driven near real-time unmanned aerial vehicle (UAV)-based multispectral sensing (UMS) solution to estimate total nitrogen (TN) of the soil, an important macro-nutrient or SHI that directly affects the crop health. Accurate prediction of soil TN can significantly increase crop yield through informed decision making on the timing of seed planting, and fertilizer quantity and timing. We train two machine learning models including multi-layer perceptron and support vector machine to predict the soil nitrogen using a suite of data classes including multispectral characteristics of the soil and crops in red, near-infrared, and green spectral bands, computed vegetation indices, and environmental variables including air temperature and relative humidity. To generate the ground-truth data or the training data for the machine learning models, we measure the total nitrogen of the soil samples (collected from a farm) using laser-induced breakdown spectroscopy (LIBS).

Short-pulse, ultra high-intensity lasers have opened new regimes for studying fusion plasmas and creating novel ultra-short ion beams and neutron sources. Diagnosing the plasma in these experiments is important for optimizing the fusion yield but difficult due to the picosecond time scales, 10s of micron-cubed volumes and high densities. We propose to use the yields of photons and neutrons produced by parallel reactions involving the same reactants to diagnose the plasma conditions and predict the yields of specific reactions of interest. In this work, we focus on verifying the yield of the high-interest aneutronic proton-boron fusion reaction ^{11}{B}(p,2α){}^4{He}, which is difficult to measure directly due to the short stopping range of the produced αs in most materials. We identify promising photon-producing reactions for this purpose and compute the ratios of the photon yield to the α yield as a function of plasma parameters. In beam fusion experiments, the {}^{11}{C} yield is an easily-measurable observable to verify the α yield. In light of our results, improving and extending measurements of the cross sections for these parallel reactions are important steps to gaining greater control over these laser-driven fusion plasmas.

The development of advanced diagnostic systems to measure and optimize emerging energetic material performance is critical for the defeat of Chemical Warfare Agents (CWA). This study presents an integrated multi-spectroscopic approach to monitor the interaction between a CWA simulant, Diisopropyl Methyl Phosphonate (DIMP), and combusting composite metal particles. A custom benchtop Polygonal Rotating Mirror Infrared Spectrometer (PRiMIRS), equipped with a customizable experimental chamber, is employed to observe DIMP decomposition. Tunable Diode Laser Absorption Spectroscopy (TDLAS) is used to measure path-averaged gas temperature profiles during combustion. In the experiment, the chamber is preheated to evaporate liquid DIMP. Various composite metal powders (Al-8Mg):3Zr, (Al-8Mg):Zr, 2(Al-8Mg):Zr, and 4(Al-8Mg):Zr are placed on a stainless steel mount and ignited using 3Al-2Ni sputter-deposited nanolayered foils. The combusting metal particles mix with the DIMP vapor, initiating chemical and thermal interactions. PRiMIRS captures DIMP spectral evolution, while TDLAS simultaneously monitors gas temperature. A spectral defeat parameter was developed to enable quantitative real-time assessment of the DIMP destruction. It uses infrared light absorption by both from DIMP and its immediate decomposition products Isopropyl Methyl Phosphonate (IMP) and Isopropyl Alcohol (IPA). Fourier Transform Infrared Spectroscopy (FTIR) serves as a secondary verification tool quantifying the decomposition products over extended timeframes, and Transmission Electron Microscopy (TEM) confirms the expected metal oxide dispersion within the reaction space. This study reports variability in DIMP defeat as a function of metal powder stoichiometry, metal powder loading, and path-averaged gas temperature profiles, offering critical insights into optimizing reactive materials for effective CWA neutralization.

The presence of strong electron clouds in the quadrupole magnetic field regions of the Large Hadron Collider (LHC) leads to considerable heating that poses challenges for the cryogenic cooling system, and under certain conditions to proton beam quality deterioration. Research is being conducted on laser-treated inner beam screen surfaces for the upgraded High-Luminosity LHC to mitigate this issue. Laser-induced surface structuring, a technique that effectively roughens surfaces, has been shown to reduce secondary electron emission; an essential factor in controlling electron cloud formation. Conversely, the resulting surface roughening also alters the material's surface impedance, potentially impacting beam stability and increasing beam-induced resistive wall heating. Different laser treatment patterns have been applied to LHC beam screens to estimate this potential impact and assessed for their microwave responses.

The recent development of high average, high peak power lasers has revived the effort of using lasers as a potential tool to influence natural lightning. Although impressive, the current progress in laser lightning control technology may only be the beginning of a new area involving a positive feedback between powerful laser development and atmospheric research. In this review paper, we critically evaluate the past, present and future of Laser Lightning Control (LLC), considering both its technological and scientific significance in atmospheric research.

We present a new method for generating emission spectra from polycyclic aromatic hydrocarbons (PAHs) in arbitrary radiation fields. We utilize the single-photon limit for PAH heating and emission to treat individual photon absorptions as independent events. This allows the construction of a set of single-photon emission "basis spectra" that can be scaled to produce an output emission spectrum given any input heating spectrum. We find that this method produces agreement with PAH emission spectra computed accounting for multi-photon effects to within simeq10% in the 3-20~{rm mu m} wavelength range for radiation fields with intensity U<100. We use this framework to explore the dependence of PAH band ratios on the radiation field spectrum across grain sizes, finding in particular a strong dependence of the 3.3 to 11.2~mum band ratio on radiation field hardness. A Python-based tool and a set of basis spectra that can be used to generate these emission spectra are made publicly available.

With the rapid evolution of global autonomous driving technology, the demand for its core sensing hardware, Light Detection and Ranging (LiDAR), is escalating. As the light source part of the LiDAR system, lasers, particularly the cutting-edge Photonic Crystal Surface Emitting Lasers (PCSEL), have correspondingly attracted extensive research attention. The conventional manual design and optimization of PCSEL typically require expertise in semiconductor physics and months of dedicated effort to achieve satisfactory results. While AI-driven approaches can expedite this process, laser designers still need to invest time in learning the AI algorithms involved. Meanwhile Large Language Models (LLMs), leveraging their powerful reasoning abilities, can effectively comprehend natural language and provide constructive feedback in multi-turn dialogues. They have already demonstrated potential to assist humans in scientific fields such as robotics design and chemical discovery. A question naturally arises is: Can LLMs transform the lasers design process? This paper proposes a novel human-AI co-design paradigm to show that LLMs can guide the laser design and optimization process both conceptually and technically. Specifically, by simply having conversations, GPT assisted us with writing both Finite Difference Time Domain (FDTD) simulation code and deep reinforcement learning (RL) code to acquire the optimized PCSEL solution, spanning from the proposition of ideas to the realization of algorithms. Given that GPT will perform better when given detailed and specific prompts, we break down the PCSEL design problem into a series of sub-problems and converse with GPT by posing open-ended heuristic questions rather than definitive commands. We achieved a significant milestone towards self-driving laboratories, that is, a fully automated AI-driven pipeline, for laser design and production.

The binding energies of the five bound rotational levels J=0-4 in the highest vibrational level v=14 in the X^1Sigma_g^+ ground electronic state of H_2 were measured in a three-step ultraviolet-laser experiment. Two-photon UV-photolysis of H_2S produced population in these high-lying bound states, that were subsequently interrogated at high precision via Doppler-free spectroscopy of the F^1Sigma_g^+ - X^1Sigma_g^+ system. A third UV-laser was used for detection through auto-ionizing resonances. The experimentally determined binding energies were found to be in excellent agreement with calculations based on non-adiabatic perturbation theory, also including relativistic and quantum electrodynamical contributions. The s-wave scattering length of the H + H system is derived from the binding energy of the last bound J=0 level via a direct semi-empirical approach, yielding a value of a_s = 0.2724(5) a_0, in good agreement with a result from a previously followed theoretical approach. The subtle effect of the malpha^4 relativity contribution to a_s was found to be significant. In a similar manner a value for the p-wave scattering volume is determined via the J=1 binding energy yielding a_p = -134.0000(6) a_0^3. The binding energy of the last bound state in H_2, the (v=14, J=4) level, is determined at 0.023(4) cm^{-1}, in good agreement with calculation. The effect of the hyperfine substructure caused by the two hydrogen atoms at large internuclear separation, giving rise to three distinct dissociation limits, is discussed.

Generation of high-fidelity amplified pulse bursts with a regular interpulse interval yields, in the spectral domain, an equidistant pattern of narrowband spectral modes, similar to frequency combs produced by cw mode-locked lasers, but with greatly increased pulse energy. Despite their great potential for nonlinear spectroscopy, material processing, etc., such long frequency-stable bursts are difficult to generate and amplify because of prominent temporal intensity modulation even after strong dispersive pulse stretching. This study presents a burst generation method based on a master-oscillator regenerative-amplifier system that allows for chirped-pulse amplification (CPA) with high scalability in pulse number. A gradual smoothing of temporal intensity profiles at an increasing number of pulses is discovered, demonstrating an unexpected recovery of the CPA performance at terahertz (THz) intraburst repetition rates. In consequence, a self-referenced stable burst spectral peak structure with megahertz (MHz) peak width is generated, without risk of amplifier damage caused by interference of chirped pulses. This result eliminates limitations in burst amplification and paves the way for advancements in ultrashort-pulse burst technology, particularly for its use in nonlinear optical applications.

Three-dimensional (3D) point cloud analysis has become central to applications ranging from autonomous driving and robotics to forestry and ecological monitoring. Although numerous deep learning methods have been proposed for point cloud understanding, including supervised backbones, self-supervised pre-training (SSL), and parameter-efficient fine-tuning (PEFT), their implementations are scattered across incompatible codebases with differing data pipelines, evaluation protocols, and configuration formats, making fair comparisons difficult. We introduce , a unified, extensible PyTorch library that integrates over 55 model configurations covering 29 supervised architectures, seven SSL pre-training methods, and five PEFT strategies, all within a single registry-based framework supporting classification, semantic segmentation, part segmentation, and few-shot learning. provides standardised training runners, cross-validation with stratified K-fold splitting, automated LaTeX/CSV table generation, built-in Friedman/Nemenyi statistical testing with critical-difference diagrams for rigorous multi-model comparison, and a comprehensive test suite with 2\,200+ automated tests validating every configuration end-to-end. The code is available at https://github.com/said-ohamouddou/LIDARLearn under the MIT licence.

Intracellular lasers are emerging as powerful biosensors for multiplexed tracking and precision sensing of cells and their microenvironment. This sensing capacity is enabled by quantifying their narrow-linewidth emission spectra, which is presently challenging to do at high speeds. In this work, we demonstrate rapid snapshot hyperspectral imaging of intracellular lasers. Using integral field mapping with a microlens array and a diffraction grating, we obtain images of the spatial and spectral intensity distribution from a single camera acquisition. We demonstrate widefield hyperspectral imaging over a 3times3 mm^2 field of view and volumetric imaging over 250times250times800 mum^3 volumes with a spatial resolution of 5 mum and a spectral resolution of less than 0.8 nm. We evaluate the performance and outline the challenges and strengths of snapshot methods in the context of characterising the emission from intracellular lasers. This method offers new opportunities for a diverse range of applications, including high-throughput and long-term biosensing with intracellular lasers.

LSST and Euclid must address the daunting challenge of analyzing the unprecedented volumes of imaging and spectroscopic data that these next-generation instruments will generate. A promising approach to overcoming this challenge involves rapid, automatic image processing using appropriately trained Deep Learning (DL) algorithms. However, reliable application of DL requires large, accurately labeled samples of training data. Galaxy Zoo Express (GZX) is a recent experiment that simulated using Bayesian inference to dynamically aggregate binary responses provided by citizen scientists via the Zooniverse crowd-sourcing platform in real time. The GZX approach enables collaboration between human and machine classifiers and provides rapidly generated, reliably labeled datasets, thereby enabling online training of accurate machine classifiers. We present selected results from GZX and show how the Bayesian aggregation engine it uses can be extended to efficiently provide object-localization and bounding-box annotations of two-dimensional data with quantified reliability. DL algorithms that are trained using these annotations will facilitate numerous panchromatic data modeling tasks including morphological classification and substructure detection in direct imaging, as well as decontamination and emission line identification for slitless spectroscopy. Effectively combining the speed of modern computational analyses with the human capacity to extrapolate from few examples will be critical if the potential of forthcoming large-scale surveys is to be realized.

Continuous solid electrolyte interface (SEI) formation remains the limiting factor of the lifetime of silicon nanoparticles (SiNPs) based negative electrodes. Methods that could provide clear diagnosis of the electrode degradation are of utmost necessity to streamline further developments. We demonstrate that electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) can be used to quickly map SEI components and quantify LixSi alloys from single experiments, with resolutions down to 5 nm. Exploiting the low-loss part of the EEL spectrum allowed us to circumvent the degradation phenomena that have so far crippled the application of this technique on such beam-sensitive compounds. Our results provide unprecedented insight into silicon aging mechanisms in full cell configuration. We observe the morphology of the SEI to be extremely heterogeneous at the particle scale but with clear chemical evolutions with extended cycling coming from both SEI accumulation and a transition from lithium-rich carbonate-like compounds to lithium-poor ones. Thanks to the retrieval of several results from a single dataset, we were able to correlate local discrepancies in lithiation to the initial crystallinity of silicon as well as to the local SEI chemistry and morphology. This study emphasizes how initial heterogeneities in the percolating electronic network and the porosity affect SiNPs aggregates along cycling. These findings pinpoint the crucial role of an optimized formulation in silicon-based thick electrodes.

Ultrafast electron microscopy (UEM) has found widespread applications in physics, chemistry, and materials science, enabling real-space imaging of dynamics on ultrafast timescales. Recent advances have pushed the temporal resolution of UEM into the attosecond regime, enabling the attomicroscopy technique to directly visualize electron motion. In this work, we extend the capabilities of this powerful imaging tool to investigate ultrafast electron dynamics in a biological system by imaging and controlling light induced electronic and chemical changes in the conductive network of multicellular cable bacteria. Using electron energy loss spectroscopy (EELS), we first observed a laser induced increase in {\pi}-electron density, accompanied by spectral peak broadening and a blueshift features indicative of enhanced conductivity and structural modification. We also traced the effect of ultrafast laser pumping on bulk plasmon electron oscillations by monitoring changes in the plasmon like resonance peak. Additionally, we visualized laser induced chemical structural changes in cable bacteria in real space. The imaging results revealed carbon enrichment alongside a depletion of nitrogen and oxygen, highlighting the controllability of chemical dynamics. Moreover, time resolved EELS measurements further revealed a picosecond scale decay and recovery of both {\pi}-electron and plasmonic features, attributed to electron phonon coupling. In addition to shedding light on the mechanism of electron motion in cable bacteria, these findings demonstrate ultrafast modulation and switching of conductivity, underscoring their potential as bio-optoelectronic components operating on ultrafast timescales.

High Power Laser (HPL) systems operate in the attoseconds regime -- the shortest timescale ever created by humanity. HPL systems are instrumental in high-energy physics, leveraging ultra-short impulse durations to yield extremely high intensities, which are essential for both practical applications and theoretical advancements in light-matter interactions. Traditionally, the parameters regulating HPL optical performance have been manually tuned by human experts, or optimized using black-box methods that can be computationally demanding. Critically, black box methods rely on stationarity assumptions overlooking complex dynamics in high-energy physics and day-to-day changes in real-world experimental settings, and thus need to be often restarted. Deep Reinforcement Learning (DRL) offers a promising alternative by enabling sequential decision making in non-static settings. This work explores the feasibility of applying DRL to HPL systems, extending the current research by (1) learning a control policy relying solely on non-destructive image observations obtained from readily available diagnostic devices, and (2) retaining performance when the underlying dynamics vary. We evaluate our method across various test dynamics, and observe that DRL effectively enables cross-domain adaptability, coping with dynamics' fluctuations while achieving 90\% of the target intensity in test environments.

To meet the challenges of high-resolution molecular spectroscopy, increasingly sophisticated spectroscopic techniques were developed. For a long time FTIR and laser-based spectroscopies were used for these studies. The recent development of dual-comb spectroscopy at high-resolution makes this technique a powerful tool for gas phase studies. We report on the use and characterization of the IRis-F1, a tabletop mid-infrared dual-comb spectrometer, in the newly developed step-sweep mode. The resolution of the wavenumber axis is increased by step-wise tuning (interleaving) and accurate measurement of the laser center wavelength and repetition frequency. Doppler limited measurements of N2O and CH4 reveal a wavenumber accuracy of 1E-4 cm-1 on the covered range of > 50 cm-1. Measured half-widths of absorption lines show no systematic broadening, indicating a negligible instrument response function. Finally, measurements of nitrogen pressure broadening coefficients in the v4 band of methane show that quantum cascade laser dual-comb spectroscopy in step-sweep mode is well adapted for measurements of precision spectroscopic data, in particular line shape parameters.

Insufficient overlap between the melt pools produced during Laser Powder Bed Fusion (L-PBF) can lead to lack-of-fusion defects and deteriorated mechanical and fatigue performance. In-situ monitoring of the melt pool subsurface morphology requires specialized equipment that may not be readily accessible or scalable. Therefore, we introduce a machine learning framework to correlate in-situ two-color thermal images observed via high-speed color imaging to the two-dimensional profile of the melt pool cross-section. Specifically, we employ a hybrid CNN-Transformer architecture to establish a correlation between single bead off-axis thermal image sequences and melt pool cross-section contours measured via optical microscopy. In this architecture, a ResNet model embeds the spatial information contained within the thermal images to a latent vector, while a Transformer model correlates the sequence of embedded vectors to extract temporal information. Our framework is able to model the curvature of the subsurface melt pool structure, with improved performance in high energy density regimes compared to analytical melt pool models. The performance of this model is evaluated through dimensional and geometric comparisons to the corresponding experimental melt pool observations.

Transformer-based Large Language Models (LLMs) have become a fixture in modern machine learning. Correspondingly, significant resources are allocated towards research that aims to further advance this technology, typically resulting in models of increasing size that are trained on increasing amounts of data. This work, however, demonstrates the surprising result that it is often possible to significantly improve the performance of LLMs by selectively removing higher-order components of their weight matrices. This simple intervention, which we call LAyer-SElective Rank reduction (LASER), can be done on a model after training has completed, and requires no additional parameters or data. We show extensive experiments demonstrating the generality of this finding across language models and datasets, and provide in-depth analyses offering insights into both when LASER is effective and the mechanism by which it operates.

Semiconductor lasers have been rapidly evolving to meet the demands of next-generation optical networks. This imposes much more stringent requirements on the laser reliability, which are dominated by degradation mechanisms (e.g., sudden degradation) limiting the semiconductor laser lifetime. Physics-based approaches are often used to characterize the degradation behavior analytically, yet explicit domain knowledge and accurate mathematical models are required. Building such models can be very challenging due to a lack of a full understanding of the complex physical processes inducing the degradation under various operating conditions. To overcome the aforementioned limitations, we propose a new data-driven approach, extracting useful insights from the operational monitored data to predict the degradation trend without requiring any specific knowledge or using any physical model. The proposed approach is based on an unsupervised technique, a conditional variational autoencoder, and validated using vertical-cavity surface-emitting laser (VCSEL) and tunable edge emitting laser reliability data. The experimental results confirm that our model (i) achieves a good degradation prediction and generalization performance by yielding an F1 score of 95.3%, (ii) outperforms several baseline ML based anomaly detection techniques, and (iii) helps to shorten the aging tests by early predicting the failed devices before the end of the test and thereby saving costs

High Power Laser's (HPL) optimal performance is essential for the success of a wide variety of experimental tasks related to light-matter interactions. Traditionally, HPL parameters are optimised in an automated fashion relying on black-box numerical methods. However, these can be demanding in terms of computational resources and usually disregard transient and complex dynamics. Model-free Deep Reinforcement Learning (DRL) offers a promising alternative framework for optimising HPL performance since it allows to tune the control parameters as a function of system states subject to nonlinear temporal dynamics without requiring an explicit dynamics model of those. Furthermore, DRL aims to find an optimal control policy rather than a static parameter configuration, particularly suitable for dynamic processes involving sequential decision-making. This is particularly relevant as laser systems are typically characterised by dynamic rather than static traits. Hence the need for a strategy to choose the control applied based on the current context instead of one single optimal control configuration. This paper investigates the potential of DRL in improving the efficiency and safety of HPL control systems. We apply this technique to optimise the temporal profile of laser pulses in the L1 pump laser hosted at the ELI Beamlines facility. We show how to adapt DRL to the setting of spectral phase control by solely tuning dispersion coefficients of the spectral phase and reaching pulses similar to transform limited with full-width at half-maximum (FWHM) of ca1.6 ps.

Laser cutting is a widely adopted technology in material processing across various industries, but it generates a significant amount of dust, smoke, and aerosols during operation, posing a risk to both the environment and workers' health. Speckle sensing has emerged as a promising method to monitor the cutting process and identify material types in real-time. This paper proposes a material classification technique using a speckle pattern of the material's surface based on deep learning to monitor and control the laser cutting process. The proposed method involves training a convolutional neural network (CNN) on a dataset of laser speckle patterns to recognize distinct material types for safe and efficient cutting. Previous methods for material classification using speckle sensing may face issues when the color of the laser used to produce the speckle pattern is changed. Experiments conducted in this study demonstrate that the proposed method achieves high accuracy in material classification, even when the laser color is changed. The model achieved an accuracy of 98.30 % on the training set and 96.88% on the validation set. Furthermore, the model was evaluated on a set of 3000 new images for 30 different materials, achieving an F1-score of 0.9643. The proposed method provides a robust and accurate solution for material-aware laser cutting using speckle sensing.

Single-photon LiDAR achieves high-precision 3D imaging in extreme environments through quantum-level photon detection technology. Current research primarily focuses on reconstructing 3D scenes from sparse photon events, whereas the semantic interpretation of single-photon images remains underexplored, due to high annotation costs and inefficient labeling strategies. This paper presents the first active learning framework for single-photon image classification. The core contribution is an imaging condition-aware sampling strategy that integrates synthetic augmentation to model variability across imaging conditions. By identifying samples where the model is both uncertain and sensitive to these conditions, the proposed method selectively annotates only the most informative examples. Experiments on both synthetic and real-world datasets show that our approach outperforms all baselines and achieves high classification accuracy with significantly fewer labeled samples. Specifically, our approach achieves 97% accuracy on synthetic single-photon data using only 1.5% labeled samples. On real-world data, we maintain 90.63% accuracy with just 8% labeled samples, which is 4.51% higher than the best-performing baseline. This illustrates that active learning enables the same level of classification performance on single-photon images as on classical images, opening doors to large-scale integration of single-photon data in real-world applications.

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while machine learning methods have advanced static density prediction, modeling its spatiotemporal dynamics remains largely unexplored. In this work, we introduce a generative framework that combines a 3D convolutional autoencoder with a latent diffusion model (LDM) to learn electron density trajectories from ab-initio molecular dynamics (AIMD) simulations. Our method encodes electron densities into a compact latent space and predicts their future states by sampling from the learned conditional distribution, enabling stable long-horizon rollouts without drift or collapse. To preserve statistical fidelity, we incorporate a scaled Jensen-Shannon divergence regularization that aligns generated and reference density distributions. On AIMD trajectories of liquid lithium at 800 K, our model accurately captures both the spatial correlations and the log-normal-like statistical structure of the density. The proposed framework has the potential to accelerate the simulation of quantum dynamics and overcome key challenges faced by current spatiotemporal machine learning methods as surrogates of quantum mechanical simulators.

In this work, we present the ChemNLP library that can be used for 1) curating open access datasets for materials and chemistry literature, developing and comparing traditional machine learning, transformers and graph neural network models for 2) classifying and clustering texts, 3) named entity recognition for large-scale text-mining, 4) abstractive summarization for generating titles of articles from abstracts, 5) text generation for suggesting abstracts from titles, 6) integration with density functional theory dataset for identifying potential candidate materials such as superconductors, and 7) web-interface development for text and reference query. We primarily use the publicly available arXiv and Pubchem datasets but the tools can be used for other datasets as well. Moreover, as new models are developed, they can be easily integrated in the library. ChemNLP is available at the websites: https://github.com/usnistgov/chemnlp and https://jarvis.nist.gov/jarvischemnlp.

We report the measurement of the electric dipole moment of aluminum monochloride (AlCl) using a cryogenic buffer-gas beam source. Our measurements provide values for the dipole moments of the two lowest vibrational states of the X^1Sigma^+ and the A^1Pi electronic states. We also show that spin-orbit coupling with an extended number of spin states is essential in the ab initio calculation to correctly describe both the dipole moment and the Te energy of AlCl. We further lay out the implications of these results for astrophysical models of stellar and planetary evolution that have used a substitute value for the dipole moment of AlCl until now.

Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusive. This originates mostly from the fact that accurately predicting vibrational and reactive dynamics for soluted ensembles of realistic molecules is no small endeavor, and adding (collective) strong light-matter interaction does not simplify matters. Here, we establish a framework based on a combination of machine learning (ML) models, trained using density-functional theory calculations, and molecular dynamics to accelerate such simulations. We then apply this approach to evaluate strong coupling, changes in reaction rate constant, and their influence on enthalpy and entropy for the deprotection reaction of 1-phenyl-2-trimethylsilylacetylene, which has been studied previously both experimentally and using ab initio simulations. While we find qualitative agreement with critical experimental observations, especially with regard to the changes in kinetics, we also find differences in comparison with previous theoretical predictions. The features for which the ML-accelerated and ab initio simulations agree show the experimentally estimated kinetic behavior. Conflicting features indicate that a contribution of dynamic electronic polarization to the reaction process is more relevant then currently believed. Our work demonstrates the practical use of ML for polaritonic chemistry, discusses limitations of common approximations and paves the way for a more holistic description of polaritonic chemistry.

Fluorescence LiDAR (FLiDAR), a Light Detection and Ranging (LiDAR) technology employed for distance and depth estimation across medical, automotive, and other fields, encounters significant computational challenges in scattering media. The complex nature of the acquired FLiDAR signal, particularly in such environments, makes isolating photon time-of-flight (related to target depth) and intrinsic fluorescence lifetime exceptionally difficult, thus limiting the effectiveness of current analytical and computational methodologies. To overcome this limitation, we present a Physics-Guided Mixture-of-Experts (MoE) framework tailored for specialized modeling of diverse temporal components. In contrast to the conventional MoE approaches our expert models are informed by underlying physics, such as the radiative transport equation governing photon propagation in scattering media. Central to our approach is EvidenceMoE, which integrates Evidence-Based Dirichlet Critics (EDCs). These critic models assess the reliability of each expert's output by providing per-expert quality scores and corrective feedback. A Decider Network then leverages this information to fuse expert predictions into a robust final estimate adaptively. We validate our method using realistically simulated Fluorescence LiDAR (FLiDAR) data for non-invasive cancer cell depth detection generated from photon transport models in tissue. Our framework demonstrates strong performance, achieving a normalized root mean squared error (NRMSE) of 0.030 for depth estimation and 0.074 for fluorescence lifetime.

We present subarcsecond-resolution ALMA mosaics of the Orion Bar PDR in [CI] 609 um, C2H (4-3), and C18O (3-2) emission lines, complemented by JWST images of H2 and aromatic infrared band (AIB) emission. The rim of the Bar shows very corrugated structures made of small-scale H2 dissociation fronts (DFs). The [CI] 609 um emission peaks very close (~0.002 pc) to the main H2-emitting DFs, suggesting the presence of gas density gradients. These DFs are also bright and remarkably similar in C2H emission, which traces 'hydrocarbon radical peaks' characterized by very high C2H abundances, reaching up to several x10^-7. The high abundance of C2H and of related hydrocarbon radicals, such as CH3, CH2, and CH, can be attributed to gas-phase reactions driven by elevated temperatures, the presence of C+ and C, and the reactivity of FUV-pumped H2. The hydrocarbon radical peaks roughly coincide with maxima of the 3.4/3.3 um AIB intensity ratio, a proxy for the aliphatic-to-aromatic content of PAHs. This implies that the conditions triggering the formation of simple hydrocarbons also favor the formation (and survival) of PAHs with aliphatic side groups, potentially via the contribution of bottom-up processes in which abundant hydrocarbon radicals react in situ with PAHs. Ahead of the DFs, in the atomic PDR zone (where [H]>>[H2]), the AIB emission is brightest, but small PAHs and carbonaceous grains undergo photo-processing due to the stronger FUV field. Our detection of trace amounts of C2H in this zone may result from the photoerosion of these species. This study provides a spatially resolved view of the chemical stratification of key carbon carriers in a PDR. Overall, both bottom-up and top-down processes appear to link simple hydrocarbon molecules with PAHs in molecular clouds; however, the exact chemical pathways and their relative contributions remain to be quantified.

As computational demands continue to rise, assessing the environmental footprint of AI requires moving beyond energy and water consumption to include the material demands of specialized hardware. This study quantifies the material footprint of AI training by linking computational workloads to physical hardware needs. The elemental composition of the Nvidia A100 SXM 40 GB graphics processing unit (GPU) was analyzed using inductively coupled plasma optical emission spectroscopy, which identified 32 elements. The results show that AI hardware consists of about 90% heavy metals and only trace amounts of precious metals. The elements copper, iron, tin, silicon, and nickel dominate the GPU composition by mass. In a multi-step methodology, we integrate these measurements with computational throughput per GPU across varying lifespans, accounting for the computational requirements of training specific AI models at different training efficiency regimes. Scenario-based analyses reveal that, depending on Model FLOPs Utilization (MFU) and hardware lifespan, training GPT-4 requires between 1,174 and 8,800 A100 GPUs, corresponding to the extraction and eventual disposal of up to 7 tons of toxic elements. Combined software and hardware optimization strategies can reduce material demands: increasing MFU from 20% to 60% lowers GPU requirements by 67%, while extending lifespan from 1 to 3 years yields comparable savings; implementing both measures together reduces GPU needs by up to 93%. Our findings highlight that incremental performance gains, such as those observed between GPT-3.5 and GPT-4, come at disproportionately high material costs. The study underscores the necessity of incorporating material resource considerations into discussions of AI scalability, emphasizing that future progress in AI must align with principles of resource efficiency and environmental responsibility.

Most Galactic Globular Clusters (GCs) harbour multiple populations of stars (MPs), composed of at least two generations: the first characterized by a "standard" α-enhanced metal mixture, as observed in field halo stars of the Milky Way, and the second displaying anti-correlated CN--ONa chemical abundance pattern in combination with an enhanced helium fraction. Adequate collections of stellar spectra are needed to characterize the effect of such stellar abundance changes on the integrated light of GCs. We present a grid of synthetic stellar spectra covering the atmospheric parameters relevant to old stellar populations at four subsolar metallicities and two abundance patterns, representative of first- and second-generations of stars in GCs. Integrated spectra of populations were computed using our stellar grid and empirical stellar populations, namely, colour-magnitude diagrams from literature for Galactic GCs. The spectra range from 290 to 1000nm, where we measured the effect on several spectrophotometric indices due to the surface abundance variations attributed to MPs. We find non-negligible effects of the MPs on spectroscopic indices sensitive to C, N, Ca, or Na, and on Balmer indices; we also describe how MPs modify specific regions in the near-UV and near-IR that can be measured with narrow or medium photometric passbands. The effects vary with metallicity. A number of these changes remain detectable even when accounting for the stochastic fluctuations due to the finite nature of the stellar population cluster.

Deep spectrophotometry has proved to be a fundamental tool to improve our knowledge on the chemical content of planetary nebulae. With the arrival of very efficient spectrographs installed in the largest ground-based telescopes, outstanding spectra have been obtained. These data are essential to constrain state-of-the-art nucleosynthesis models in asymptotic giant branch stars and, in general, to understand the chemical evolution of our Galaxy. In this paper we review the last advances on the chemical composition of the ionized gas in planetary nebulae based on faint emission lines observed through very deep spectrophotometric data.