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Single-stranded RNA viruses co-assemble their capsid with the genome and variations in capsid structures can have significant functional relevance. In particular, viruses need to respond to a dehydrating environment to prevent genomic degradation and remain active upon rehydration. Theoretical work has predicted low-energy buckling transitions in icosahedral capsids which could protect the virus from further dehydration. However, there has been no direct experimental evidence, nor molecular mechanism, for such behaviour. Here we observe this transition using X-ray single particle imaging of MS2 bacteriophages after aerosolization. Using a combination of machine learning tools, we classify hundreds of thousands of single particle diffraction patterns to learn the structural landscape of the capsid morphology as a function of time spent in the aerosol phase. We found a previously unreported compact conformation as well as intermediate structures which suggest an incoherent buckling transition which does not preserve icosahedral symmetry. Finally, we propose a mechanism of this buckling, where a single 19-residue loop is destabilised, leading to the large observed morphology change. Our results provide experimental evidence for a mechanism by which viral capsids protect themselves from dehydration. In the process, these findings also demonstrate the power of single particle X-ray imaging and machine learning methods in studying biomolecular structural dynamics., Comment: 10 pages, 4 figures plus 9 pages supplementary information

We employ partitioning methods, in the spirit of Montiel--Ros but here recast for general actions of compact Lie groups, to prove effective lower bounds on the Morse index of certain families of closed minimal hypersurfaces in the round four-dimensional sphere, and of free boundary minimal hypersurfaces in the Euclidean four-dimensional ball. Our analysis reveals, in particular, phenomena of linear index growth for sequences of minimal hypersurfaces of fixed topological type, in strong contrast to the three-dimensional scenario.

Realizing tunable functional materials with built-in nanoscale heat flow directionality represents a significant challenge that could advance thermal management strategies. Here we use spatiotemporally-resolved thermoreflectance to visualize lateral thermal transport anisotropy in self-assembled supercrystals of anisotropic Au nanocrystals. Correlative electron and thermoreflectance microscopy reveal that nano- to meso-scale heat predominantly flows along the long-axis of the anisotropic nanocrystals, and does so across grain boundaries and curved assemblies while voids disrupt heat flow. We finely control the anisotropy via the aspect ratio of constituent nanorods, and it exceeds the aspect ratio for nano-bipyramid supercrystals and certain nanorod arrangements. Finite element simulations and effective medium modeling rationalize the emergent anisotropic behavior in terms of a simple series resistance model, further providing a framework for estimating thermal anisotropy as a function of material and structural parameters. Self-assembly of colloidal nanocrystals promises an interesting route to direct heat flow in a wide range of applications that utilize this important class of materials.

A dynamic graph algorithm is a data structure that supports edge insertions, deletions, and specific problem queries. While extensive research exists on dynamic algorithms for graph problems solvable in polynomial time, most of these algorithms have not been implemented or empirically evaluated. This work addresses the NP-complete maximum weight and cardinality independent set problems in a dynamic setting, applicable to areas like dynamic map-labeling and vehicle routing. Real-world instances can be vast, with millions of vertices and edges, making it challenging to find near-optimal solutions quickly. Exact solvers can find optimal solutions but have exponential worst-case runtimes. Conversely, heuristic algorithms use local search techniques to improve solutions by optimizing vertices. In this work, we introduce a novel local search technique called optimal neighborhood exploration. This technique creates independent subproblems that are solved to optimality, leading to improved overall solutions. Through numerous experiments, we assess the effectiveness of our approach and compare it with other state-of-the-art dynamic solvers. Our algorithm features a parameter, the subproblem size, that balances running time and solution quality. With this parameter, our configuration matches state-of-the-art performance for the cardinality independent set problem. By increasing the parameter, we significantly enhance solution quality., Comment: arXiv admin note: text overlap with arXiv:2208.13645

Ultra-high-energy cosmic rays are known to be mainly of extragalactic origin, and their propagation is limited by energy losses, so their arrival directions are expected to correlate with the large-scale structure of the local Universe. In this work, we investigate the possible presence of intermediate-scale excesses in the flux of the most energetic cosmic rays from the direction of the supergalactic plane region using events with energies above 20 EeV recorded with the surface detector array of the Pierre Auger Observatory up to 31 December 2022, with a total exposure of 135,000 km^2 sr yr. The strongest indication for an excess that we find, with a post-trial significance of 3.1{\sigma}, is in the Centaurus region, as in our previous reports, and it extends down to lower energies than previously studied. We do not find any strong hints of excesses from any other region of the supergalactic plane at the same angular scale. In particular, our results do not confirm the reports by the Telescope Array collaboration of excesses from two regions in the Northern Hemisphere at the edge of the field of view of the Pierre Auger Observatory. With a comparable exposure, our results in those regions are in good agreement with the expectations from an isotropic distribution., Comment: submitted to ApJ

Multi-dimensional data frequently occur in many different fields, including risk management, insurance, biology, environmental sciences, and many more. In analyzing multivariate data, it is imperative that the underlying modelling assumptions adequately reflect both the marginal behavior as well as the associations between components. This work focuses specifically on developing a new multivariate Poisson model appropriate for multi-dimensional count data. The proposed formulation is based on convolutions of comonotonic shock vectors with Poisson distributed components and allows for flexibility in capturing different degrees of positive dependence. In this paper, the general model framework will be presented along with various distributional properties. Several estimation techniques will be explored and assessed both through simulations and in a real data application involving extreme rainfall events., Comment: 36 pages, 7 figures

The Carrollian fluid equations arise as the $c \to 0$ limit of the relativistic fluid equations and have recently experienced a surge of activity in the flat-space holography community. However, the rigorous mathematical well-posedness theory for these equations does not appear to have been previously studied. This paper is the third in a series in which we initiate the systematic analysis of the Carrollian fluid equations. In the present work we prove the global-in-time existence of bounded entropy solutions to the isentropic Carrollian fluid equations in one spatial dimension for a particular constitutive law ($\gamma = 3$). Our method is to use a vanishing viscosity approximation for which we establish a compensated compactness framework. Using this framework we also prove the compactness of entropy solutions in $L^\infty$, and establish a kinetic formulation of the problem. This global existence result in $L^\infty$ extends the $C^1$ theory presented in our companion paper ``One-Dimensional Carrollian Fluids II: $C^1$ Blow-up Criteria''., Comment: 31 pages

The Carrollian fluid equations arise from the equations for relativistic fluids in the limit as the speed of light vanishes, and have recently experienced a surge of interest in the theoretical physics community in the context of asymptotic symmetries and flat-space holography. In this paper we initiate the rigorous systematic analysis of these equations by studying them in one space dimension in the $C^1$ setting. We begin by proposing a notion of isentropic Carrollian equations, and use this to reduce the Carrollian equations to a $2 \times 2$ system of conservation laws. Using the scheme of Lax, we then classify when $C^1$ solutions to the isentropic Carrollian equations exist globally, or blow up in finite time. Our analysis assumes a Carrollian analogue of a constitutive relation for the Carrollian energy density, with exponent in the range $\gamma \in (1,3]$., Comment: 24 pages

Galilean and Carrollian algebras acting on two-dimensional Newton-Cartan and Carrollian manifolds are isomorphic. A consequence of this property is a duality correspondence between one-dimensional Galilean and Carrollian fluids. We describe the dynamics of these systems as they emerge from the relevant limits of Lorentzian hydrodynamics, and explore the advertised duality relationship. This interchanges longitudinal and transverse directions with respect to the flow velocity, and permutes equilibrium and out-of-equilibrium observables, unveiling specific features of Carrollian physics. We investigate the action of local hydrodynamic-frame transformations in the Galilean and Carrollian configurations, i.e. dual Galilean and Carrollian local boosts, and comment on their potential breaking. Emphasis is laid on the additional geometric elements that are necessary to attain complete systems of hydrodynamic equations in Newton-Cartan and Carroll spacetimes. Our analysis is conducted in general Cartan frames as well as in more explicit coordinates, specifically suited to Galilean or Carrollian use., Comment: 23 pages; expanded and improved introduction, version accepted in JHEP

Large Language Models (LLMs) vary in their abilities on a range of tasks. Initiatives such as the $\texttt{Open LLM Leaderboard}$ aim to quantify these differences with several large benchmarks (sets of test items to which an LLM can respond either correctly or incorrectly). However, high correlations within and between benchmark scores suggest that (1) there exists a small set of common underlying abilities that these benchmarks measure, and (2) items tap into redundant information and the benchmarks may thus be considerably compressed. We use data from $n > 5000$ LLMs to identify the most informative items of six benchmarks, ARC, GSM8K, HellaSwag, MMLU, TruthfulQA and WinoGrande (with $d=28,632$ items in total). From them we distill a sparse benchmark, $\texttt{metabench}$, that has less than $3\%$ of the original size of all six benchmarks combined. This new sparse benchmark goes beyond point scores by yielding estimators of the underlying benchmark-specific abilities. We show that these estimators (1) can be used to reconstruct each original $\textit{individual}$ benchmark score with, on average, $1.5\%$ root mean square error (RMSE), (2) reconstruct the original $\textit{total}$ score with $0.8\%$ RMSE, and (3) have a single underlying common factor whose Spearman correlation with the total score is $r = 0.93$., Comment: LLMs, benchmarking, IRT, information, compression

We present the history-aware transformer (HAT), a transformer-based model that uses shoppers' purchase history to personalise outfit predictions. The aim of this work is to recommend outfits that are internally coherent while matching an individual shopper's style and taste. To achieve this, we stack two transformer models, one that produces outfit representations and another one that processes the history of purchased outfits for a given shopper. We use these models to score an outfit's compatibility in the context of a shopper's preferences as inferred from their previous purchases. During training, the model learns to discriminate between purchased and random outfits using 3 losses: the focal loss for outfit compatibility typically used in the literature, a contrastive loss to bring closer learned outfit embeddings from a shopper's history, and an adaptive margin loss to facilitate learning from weak negatives. Together, these losses enable the model to make personalised recommendations based on a shopper's purchase history. Our experiments on the IQON3000 and Polyvore datasets show that HAT outperforms strong baselines on the outfit Compatibility Prediction (CP) and the Fill In The Blank (FITB) tasks. The model improves AUC for the CP hard task by 15.7% (IQON3000) and 19.4% (Polyvore) compared to previous SOTA results. It further improves accuracy on the FITB hard task by 6.5% and 9.7%, respectively. We provide ablation studies on the personalisation, constrastive loss, and adaptive margin loss that highlight the importance of these modelling choices.

Modern datasets in neuroscience enable unprecedented inquiries into the relationship between complex behaviors and the activity of many simultaneously recorded neurons. While latent variable models can successfully extract low-dimensional embeddings from such recordings, using them to generate realistic spiking data, especially in a behavior-dependent manner, still poses a challenge. Here, we present Latent Diffusion for Neural Spiking data (LDNS), a diffusion-based generative model with a low-dimensional latent space: LDNS employs an autoencoder with structured state-space (S4) layers to project discrete high-dimensional spiking data into continuous time-aligned latents. On these inferred latents, we train expressive (conditional) diffusion models, enabling us to sample neural activity with realistic single-neuron and population spiking statistics. We validate LDNS on synthetic data, accurately recovering latent structure, firing rates, and spiking statistics. Next, we demonstrate its flexibility by generating variable-length data that mimics human cortical activity during attempted speech. We show how to equip LDNS with an expressive observation model that accounts for single-neuron dynamics not mediated by the latent state, further increasing the realism of generated samples. Finally, conditional LDNS trained on motor cortical activity during diverse reaching behaviors can generate realistic spiking data given reach direction or unseen reach trajectories. In summary, LDNS simultaneously enables inference of low-dimensional latents and realistic conditional generation of neural spiking datasets, opening up further possibilities for simulating experimentally testable hypotheses.

Reliable control of quantum information in matter-based qubits requires precisely applied external fields, and unaccounted for spatial cross-talk of these fields between adjacent qubits leads to loss of fidelity. We report a CMOS foundry-produced, micro-fabricated silicon nitride (Si3N4) optical waveguide for addressing a chain of eight, unequally-spaced trapped barium ions with crosstalk compatible with scalable quantum information processing. The crosstalk mitigation techniques incorporated into the chip design result in a reduction of the measured optical field by at least 50.8(1.3) dB between adjacent waveguide outputs near 650 nm and similar behavior for devices designed for 493 nm and 585 nm. The waveguide outputs near 650 nm, along with a global laser near 493 nm were used to laser-cool a chain of eight barium-138 ions, and a camera imaged the resulting fluorescence at 493 nm., Comment: 9 pages, 7 figures

We employ equivariant variational methods to construct new examples of nonplanar free boundary minimal discs in ellipsoids. We also prove that every ellipsoid contains at least three distinct embedded free boundary minimal annuli with dihedral symmetry., Comment: 15 pages, 3 figures

Large pre-trained language models have become popular for many applications and form an important backbone of many downstream tasks in natural language processing (NLP). Applying 'explainable artificial intelligence' (XAI) techniques to enrich such models' outputs is considered crucial for assuring their quality and shedding light on their inner workings. However, large language models are trained on a plethora of data containing a variety of biases, such as gender biases, affecting model weights and, potentially, behavior. Currently, it is unclear to what extent such biases also impact model explanations in possibly unfavorable ways. We create a gender-controlled text dataset, GECO, in which otherwise identical sentences appear in male and female forms. This gives rise to ground-truth 'world explanations' for gender classification tasks, enabling the objective evaluation of the correctness of XAI methods. We also provide GECOBench, a rigorous quantitative evaluation framework benchmarking popular XAI methods, applying them to pre-trained language models fine-tuned to different degrees. This allows us to investigate how pre-training induces undesirable bias in model explanations and to what extent fine-tuning can mitigate such explanation bias. We show a clear dependency between explanation performance and the number of fine-tuned layers, where XAI methods are observed to particularly benefit from fine-tuning or complete retraining of embedding layers. Remarkably, this relationship holds for models achieving similar classification performance on the same task. With that, we highlight the utility of the proposed gender-controlled dataset and novel benchmarking approach for research and development of novel XAI methods. All code including dataset generation, model training, evaluation and visualization is available at: https://github.com/braindatalab/gecobench, Comment: Under review

Since shape optimization methods have been proven useful for identifying interfaces in models governed by partial differential equations, we show how shape optimization techniques can also be applied to an interface identification problem constrained by a nonlocal Dirichlet problem. Here, we focus on deriving the second shape derivative of the corresponding reduced functional and we further investigate a second order optimization algorithm., Comment: 31 pages, 5 figures

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the boundaries of graph neural network (GNN) computations in both training scale and data diversity. It abstracts over message passing algorithms, allowing both reproduction of and comparison across algorithmic innovations that define nearest-neighbor convolution in GNNs. This work discusses a series of optimizations that have allowed scaling up the GFMs training to tens of thousands of GPUs on datasets consisting of hundreds of millions of graphs. Our GFMs use multi-task learning (MTL) to simultaneously learn graph-level and node-level properties of atomistic structures, such as energy and atomic forces. Using over 154 million atomistic structures for training, we illustrate the performance of our approach along with the lessons learned on two state-of-the-art United States Department of Energy (US-DOE) supercomputers, namely the Perlmutter petascale system at the National Energy Research Scientific Computing Center and the Frontier exascale system at Oak Ridge Leadership Computing Facility. The HydraGNN architecture enables the GFM to achieve near-linear strong scaling performance using more than 2,000 GPUs on Perlmutter and 16,000 GPUs on Frontier., Comment: 51 pages, 32 figures

The Pierre Auger Observatory is the most sensitive instrument to detect photons with energies above $10^{17}$ eV. It measures extensive air showers generated by ultra high energy cosmic rays using a hybrid technique that exploits the combination of a fluorescence detector with a ground array of particle detectors. The signatures of a photon-induced air shower are a larger atmospheric depth of the shower maximum ($X_{max}$) and a steeper lateral distribution function, along with a lower number of muons with respect to the bulk of hadron-induced cascades. In this work, a new analysis technique in the energy interval between 1 and 30 EeV (1 EeV = $10^{18}$ eV) has been developed by combining the fluorescence detector-based measurement of $X_{max}$ with the specific features of the surface detector signal through a parameter related to the air shower muon content, derived from the universality of the air shower development. No evidence of a statistically significant signal due to photon primaries was found using data collected in about 12 years of operation. Thus, upper bounds to the integral photon flux have been set using a detailed calculation of the detector exposure, in combination with a data-driven background estimation. The derived 95% confidence level upper limits are 0.0403, 0.01113, 0.0035, 0.0023, and 0.0021 km$^{-2}$ sr$^{-1}$ yr$^{-1}$ above 1, 2, 3, 5, and 10 EeV, respectively, leading to the most stringent upper limits on the photon flux in the EeV range. Compared with past results, the upper limits were improved by about 40% for the lowest energy threshold and by a factor 3 above 3 EeV, where no candidates were found and the expected background is negligible. The presented limits can be used to probe the assumptions on chemical composition of ultra-high energy cosmic rays and allow for the constraint of the mass and lifetime phase space of super-heavy dark matter particles., Comment: 19 pages, 22 figures

We report an investigation of the mass composition of cosmic rays with energies from 3 to 100 EeV (1 EeV=$10^{18}$ eV) using the distributions of the depth of shower maximum $X_\mathrm{max}$. The analysis relies on ${\sim}50,000$ events recorded by the Surface Detector of the Pierre Auger Observatory and a deep-learning-based reconstruction algorithm. Above energies of 5 EeV, the data set offers a 10-fold increase in statistics with respect to fluorescence measurements at the Observatory. After cross-calibration using the Fluorescence Detector, this enables the first measurement of the evolution of the mean and the standard deviation of the $X_\mathrm{max}$ distributions up to 100 EeV. Our findings are threefold: (1.) The evolution of the mean logarithmic mass towards a heavier composition with increasing energy can be confirmed and is extended to 100 EeV. (2.) The evolution of the fluctuations of $X_\mathrm{max}$ towards a heavier and purer composition with increasing energy can be confirmed with high statistics. We report a rather heavy composition and small fluctuations in $X_\mathrm{max}$ at the highest energies. (3.) We find indications for a characteristic structure beyond a constant change in the mean logarithmic mass, featuring three breaks that are observed in proximity to the ankle, instep, and suppression features in the energy spectrum., Comment: submitted to Phys. Rev. D, 28 pages, 18 figures, 5 tables

We present measurements of the atmospheric depth of the shower maximum $X_\mathrm{max}$, inferred for the first time on an event-by-event level using the Surface Detector of the Pierre Auger Observatory. Using deep learning, we were able to extend measurements of the $X_\mathrm{max}$ distributions up to energies of 100 EeV ($10^{20}$ eV), not yet revealed by current measurements, providing new insights into the mass composition of cosmic rays at extreme energies. Gaining a 10-fold increase in statistics compared to the Fluorescence Detector data, we find evidence that the rate of change of the average $X_\mathrm{max}$ with the logarithm of energy features three breaks at $6.5\pm0.6~(\mathrm{stat})\pm1~(\mathrm{sys})$ EeV, $11\pm 2~(\mathrm{stat})\pm1~(\mathrm{sys})$ EeV, and $31\pm5~(\mathrm{stat})\pm3~(\mathrm{sys})$ EeV, in the vicinity to the three prominent features (ankle, instep, suppression) of the cosmic-ray flux. The energy evolution of the mean and standard deviation of the measured $X_\mathrm{max}$ distributions indicates that the mass composition becomes increasingly heavier and purer, thus being incompatible with a large fraction of light nuclei between 50 EeV and 100 EeV., Comment: submitted to Phys. Rev. Lett., 10 pages, 3 figures, 1 table

State-of-the-art approaches for autonomous driving integrate multiple sub-tasks of the overall driving task into a single pipeline that can be trained in an end-to-end fashion by passing latent representations between the different modules. In contrast to previous approaches that rely on a unified grid to represent the belief state of the scene, we propose dedicated representations to disentangle dynamic agents and static scene elements. This allows us to explicitly compensate for the effect of both ego and object motion between consecutive time steps and to flexibly propagate the belief state through time. Furthermore, dynamic objects can not only attend to the input camera images, but also directly benefit from the inferred static scene structure via a novel dynamic-static cross-attention. Extensive experiments on the challenging nuScenes benchmark demonstrate the benefits of the proposed dual-stream design, especially for modelling highly dynamic agents in the scene, and highlight the improved temporal consistency of our approach. Our method titled DualAD not only outperforms independently trained single-task networks, but also improves over previous state-of-the-art end-to-end models by a large margin on all tasks along the functional chain of driving., Comment: Accepted at CVPR 2024; Copyright 2024 IEEE; Project Website: https://simondoll.github.io/publications/dualad

Message-passing graph neural networks (GNNs) excel at capturing local relationships but struggle with long-range dependencies in graphs. In contrast, graph transformers (GTs) enable global information exchange but often oversimplify the graph structure by representing graphs as sets of fixed-length vectors. This work introduces a novel architecture that overcomes the shortcomings of both approaches by combining the long-range information of random walks with local message passing. By treating random walks as sequences, our architecture leverages recent advances in sequence models to effectively capture long-range dependencies within these walks. Based on this concept, we propose a framework that offers (1) more expressive graph representations through random walk sequences, (2) the ability to utilize any sequence model for capturing long-range dependencies, and (3) the flexibility by integrating various GNN and GT architectures. Our experimental evaluations demonstrate that our approach achieves significant performance improvements on 19 graph and node benchmark datasets, notably outperforming existing methods by up to 13\% on the PascalVoc-SP and COCO-SP datasets. The code is available at https://github.com/BorgwardtLab/NeuralWalker.

Due to advances in observation and imaging technologies, modern astronomical satellites generate large volumes of data. This necessitates efficient onboard data processing and high-speed data downlink. Reflecting this trend is the VERTECS 6U Astronomical Nanosatellite. Designed for the observation of Extragalactic Background Light (EBL), this mission is expected to generate a substantial amount of image data, particularly within the confines of CubeSat capabilities. This paper introduces the VERTECS Camera Control Board (CCB), an open-source payload interface board leveraging Commercial Off-The-Shelf (COTS) components, with a Raspberry Pi Compute Module 4 at its core. The VERTECS CCB hardware and software have been designed from the ground up to serve as the sole interface between the VERTECS bus system and astronomical imaging payload, while providing compute capability not usually seen in nanosatellites of this class. Responsible for mission data processing, it will facilitate high-speed data transfer from the imaging payload via gigabit Ethernet, while also providing a high-bitrate serial connection to the payload X-band transmitter for mission data downlink. Additional interfaces for secondary payloads are provided via USB-C and standard 15-pin camera connectors. The Raspberry Pi embedded within the VERTECS CCB operates on a standard Linux distribution, streamlining the software development process. Beyond addressing the current mission's payload control and data handling requirements, the CCB sets the stage for future missions with heightened data demands. Furthermore, it supports the adoption of machine learning and other compute-intensive applications in orbit. This paper delves into the development of the VERTECS CCB, offering insights into the design and validation of this next-generation payload interface, to ensure that it can survive the rigors of space flight., Comment: 10 pages, to be presented at SPIE Software and Cyberinfrastructure for Astronomy VIII

Drivers' role changes with increasing automation from the primary driver to a system supervisor. This study investigates how supervising an SAE L2 and L3 automated vehicle (AV) affects drivers' mental workload and sleepiness compared to manual driving. Using an AV prototype on a test track, the oscillatory brain activity of 23 adult participants was recorded during L2, L3, and manual driving. Results showed decreased mental workload and increased sleepiness in L3 drives compared to L2 and manual drives, indicated by self-report scales and changes in the frontal alpha and theta power spectral density. These findings suggest that fatigue and mental underload are significant issues in L3 driving and should be considered when designing future AV interfaces.

Classification with rejection emerges as a learning paradigm which allows models to abstain from making predictions. The predominant approach is to alter the supervised learning pipeline by augmenting typical loss functions, letting model rejection incur a lower loss than an incorrect prediction. Instead, we propose a different distributional perspective, where we seek to find an idealized data distribution which maximizes a pretrained model's performance. This can be formalized via the optimization of a loss's risk with a $ \phi$-divergence regularization term. Through this idealized distribution, a rejection decision can be made by utilizing the density ratio between this distribution and the data distribution. We focus on the setting where our $ \phi $-divergences are specified by the family of $ \alpha $-divergence. Our framework is tested empirically over clean and noisy datasets.

We present deep kpc- and pc-scale neutral atomic hydrogen (HI) absorption observations of a very young radio source (< 5000 yrs), 4C 31.04, using the WSRT and the Global VLBI array. Using $z=0.0598$, we detect a broad absorption feature centred at the systemic velocity, and narrow absorption redshifted by 220 km/s both previously observed. Additionally, we detect a new blueshifted, broad, shallow absorption wing. At pc scales, the broad absorption at the systemic velocity is detected across the entire radio source while the shallow wing is only seen against part of the eastern lobe. The velocity dispersion of the gas is overall high ($\geq$40 km/s), and is highest (>60 km/s) in the region including the outflow and the radio hot spot. While we detect a velocity gradient along the western lobe and parts of the eastern lobe, most of the gas along the rest of the eastern lobe exhibits no signs of rotation. We therefore conclude that the radio lobes of 4C 31.04 are expanding into a circumnuclear disc, partially disrupting it and making the gas highly turbulent. The distribution of gas is predominantly smooth at the spatial resolution of ~4 pc studied here. However, clumps of gas are also present, particularly along the eastern lobe. This lobe is strongly interacting with the clouds and driving an outflow ~35 pc from the radio core, with a mass-outflow rate of $0.3 \leq \dot{M} \leq 1.4$ M$_\odot$/yr. We compare our observations with a model on the survival of atomic gas clouds in radio-jet-driven outflows and find that the existence of a sub-kpc outflow implies high gas density and inefficient mixing of the cold gas with the hot medium, leading to shorter cooling times. Overall, this provides further evidence of the strong impact of young radio jets on cold ISM and supports the predictions of simulations regarding jet$-$ISM interactions and the nature of the gas into which the jets expand., Comment: 9 pages, 4 figures. Accepted for publication in Astronomy & Astrophysics

A search for full energy depositions from bosonic keV-scale dark matter candidates of masses between 65 keV and 1021 keV has been performed with data collected during Phase II of the GERmanium Detector Array (GERDA) experiment. Our analysis includes direct dark matter absorption as well as dark Compton scattering. With a total exposure of 105.5 kg yr, no evidence for a signal above the background has been observed. The resulting exclusion limits deduced with either Bayesian or Frequentist statistics are the most stringent direct constraints in the major part of the 140-1021 keV mass range. As an example, at a mass of 150 keV the dimensionless coupling of dark photons and axion-like particles to electrons has been constrained to $\alpha$'/$\alpha$ < 8.7x10$^{-24}$ and g$_{ae}$ < 3.3x10$^{-12}$ at 90% credible interval (CI), respectively. Additionally, a search for peak-like signals from beyond the Standard Model decays of nucleons and electrons is performed. We find for the inclusive decay of a single neutron in $^{76}$Ge a lower lifetime limit of $\tau_n$ > 1.5x10$^{24}$ yr and for a proton $\tau_p$ > 1.3x10$^{24}$ yr at 90% CI. For the electron decay e$^-\rightarrow\nu_e\gamma$ a lower limit of $\tau_e$ > 5.4x10$^{25}$ yr at 90% CI has been determined., Comment: 20 pages, 12 figures, 7 tables

Purpose: Histology is the gold standard for sub-cellular visualization of the mouse brain. It offers excellent in-plane resolution, but a comparably low out-of-plane resolution due to physical sectioning. X-ray microtomography does not require this trade-off. Tomographic imaging of the entire mouse brain with isotropic cellular resolution produces datasets of multiple terabytes in size. These data must be processed and made accessible to domain experts who may have only limited image processing knowledge. Approach: Extended-field X-ray microtomography covering an entire mouse brain was performed. The 4,495 projections from 8 $\times$ 8 offset acquisitions were stitched to reconstruct a volume of 15,000$^3$ voxels. The microtomography volume was non-rigidly registered to the Allen Mouse Brain Common Coordinate Framework v3 based on a combination of image intensity and landmark pairs. Results: We present a 3.3 teravoxel dataset covering a full mouse brain with 0.65 $\mu$m voxel size. The data were blockwise transformed to a common coordinate system, then stored in a public repository with a hierarchical format for navigation and overlay with anatomical annotations in online viewers such as Neuroglancer or siibra-explorer. Conclusions: This study demonstrates X-ray imaging and data processing for a full mouse brain, augmenting current atlases by improving resolution in the third dimension by an order of magnitude. The data are publicly available and easily accessible for domain experts via browser-based viewers., Comment: 21 pages, 9 figures, submitted to journal

The current standard model of cosmology successfully describes a variety of measurements, but the nature of its main ingredients, dark matter and dark energy, remains unknown. Euclid is a medium-class mission in the Cosmic Vision 2015-2025 programme of the European Space Agency (ESA) that will provide high-resolution optical imaging, as well as near-infrared imaging and spectroscopy, over about 14,000 deg^2 of extragalactic sky. In addition to accurate weak lensing and clustering measurements that probe structure formation over half of the age of the Universe, its primary probes for cosmology, these exquisite data will enable a wide range of science. This paper provides a high-level overview of the mission, summarising the survey characteristics, the various data-processing steps, and data products. We also highlight the main science objectives and expected performance., Comment: Accepted for publication in the A&A special issue`Euclid on Sky'

The evolving landscape of explainable artificial intelligence (XAI) aims to improve the interpretability of intricate machine learning (ML) models, yet faces challenges in formalisation and empirical validation, being an inherently unsupervised process. In this paper, we bring together various benchmark datasets and novel performance metrics in an initial benchmarking platform, the Explainable AI Comparison Toolkit (EXACT), providing a standardised foundation for evaluating XAI methods. Our datasets incorporate ground truth explanations for class-conditional features, and leveraging novel quantitative metrics, this platform assesses the performance of post-hoc XAI methods in the quality of the explanations they produce. Our recent findings have highlighted the limitations of popular XAI methods, as they often struggle to surpass random baselines, attributing significance to irrelevant features. Moreover, we show the variability in explanations derived from different equally performing model architectures. This initial benchmarking platform therefore aims to allow XAI researchers to test and assure the high quality of their newly developed methods.

Achieving connectivity reliability is one of the significant challenges for 5G and beyond 5G cellular networks. The present understanding of reliability in the context of mobile communication does not adequately cover the stochastic temporal aspects of the network, such as the duration and spread of packet errors that an outage session may cause. Rather, it simply confines the definition to the percentage of successful packet delivery. In this letter, we offer an elaborate modeling of the outage for a cellular mobile network by showcasing the different types of outages and their contiguity characteristic. Thereafter, using the outage metrics, we define two new key performance indicators (KPIs), namely mean outage time and mean time between outages as counterparts to akin KPIs that already exist in classical reliability theory, i.e., mean down time and mean time between failures. Using a system-level simulation where user mobility is a crucial component, it is shown that these newly defined KPIs can be used to quantify the reliability requirements of different user applications in cellular services., Comment: 6 pages, 4 figures. Accepted IEEE Wireless Communication Letters publication

The effectiveness of a series of optically transparent aligners for orthodontic treatments depends on the anchoring of each tooth. In contrast with roots, the crowns' positions and orientations are measurable with intraoral scans, thus avoiding any X-ray dose. Exemplified by two patients, we demonstrate that three-dimensional crown movements could be determined with micrometer precision by registering weekly intraoral scans. The data show the movement and orientation changes of the individual crowns of the upper and lower jaws as the result of the forces generated by the series of aligners. During the first weeks, the canines and incisors were more affected than the premolars and molars. We detected an overall tooth movement of up to about 1 mm during a nine-week treatment. The data on these orthodontic treatments indicate the extent to which actual tooth movement lags behind the treatment plan as represented by the aligner shapes. The proposed procedure can not only be used to quantify the clinical outcome of the therapy, but also to improve future planning of orthodontic treatments for each specific patient. The study should be treated with caution because only two cases have been investigated and the approach should be applied to a reasonably large cohort to reach strong conclusions regarding efficiency and efficacy of the therapeutic approach., Comment: 18 pages, 9 figures, accepted by MDPI journal Oral

GPU-based heterogeneous architectures are now commonly used in HPC clusters. Due to their architectural simplicity specialized for data-level parallelism, GPUs can offer much higher computational throughput and memory bandwidth than CPUs in the same generation do. However, as the available resources in GPUs have increased exponentially over the past decades, it has become increasingly difficult for a single program to fully utilize them. As a consequence, the industry has started supporting several resource partitioning features in order to improve the resource utilization by co-scheduling multiple programs on the same GPU die at the same time. Driven by the technological trend, this paper focuses on hierarchical resource partitioning on modern GPUs, and as an example, we utilize a combination of two different features available on recent NVIDIA GPUs in a hierarchical manner: MPS (Multi-Process Service), a finer-grained logical partitioning; and MIG (Multi-Instance GPU), a coarse-grained physical partitioning. We propose a method for comprehensively co-optimizing the setup of hierarchical partitioning and the selection of co-scheduling groups from a given set of jobs, based on reinforcement learning using their profiles. Our thorough experimental results demonstrate that our approach can successfully set up job concurrency, partitioning, and co-scheduling group selections simultaneously. This results in a maximum throughput improvement by a factor of 1.87 compared to the time-sharing scheduling., Comment: Published in: 2023 IEEE International Conference on Cluster Computing (CLUSTER)

Purpose: To develop and evaluate a deep learning model for multi-organ segmentation of MRI scans. Materials and Methods: The model was trained on 1,200 manually annotated 3D axial MRI scans from the UK Biobank, 221 in-house MRI scans, and 1228 CT scans from the TotalSegmentator dataset. A human-in-the-loop annotation workflow was employed, leveraging cross-modality transfer learning from an existing CT segmentation model to segment 40 anatomical structures. The annotation process began with a model based on transfer learning between CT and MR, which was iteratively refined based on manual corrections to predicted segmentations. The model's performance was evaluated on MRI examinations obtained from the German National Cohort (NAKO) study (n=900) from the AMOS22 dataset (n=60) and from the TotalSegmentator-MRI test data (n=29). The Dice Similarity Coefficient (DSC) and Hausdorff Distance (HD) were used to assess segmentation quality, stratified by organ and scan type. The model and its weights will be open-sourced. Results: MRSegmentator demonstrated high accuracy for well-defined organs (lungs: DSC 0.96, heart: DSC 0.94) and organs with anatomic variability (liver: DSC 0.96, kidneys: DSC 0.95). Smaller structures showed lower accuracy (portal/splenic veins: DSC 0.64, adrenal glands: DSC 0.69). On external validation using NAKO data, mean DSC ranged from 0.85 $\pm$ 0.08 for T2-HASTE to 0.91 $\pm$ 0.05 for in-phase sequences. The model generalized well to CT, achieving mean DSC of 0.84 $\pm$ 0.11 on AMOS CT data. Conclusion: MRSegmentator accurately segments 40 anatomical structures in MRI across diverse datasets and imaging protocols, with additional generalizability to CT images. This open-source model will provide a valuable tool for automated multi-organ segmentation in medical imaging research. It can be downloaded from https://github.com/hhaentze/MRSegmentator., Comment: 17 pages, 6 figures; updated data; completed co-author info

CPU-GPU heterogeneous architectures are now commonly used in a wide variety of computing systems from mobile devices to supercomputers. Maximizing the throughput for multi-programmed workloads on such systems is indispensable as one single program typically cannot fully exploit all available resources. At the same time, power consumption is a key issue and often requires optimizing power allocations to the CPU and GPU while enforcing a total power constraint, in particular when the power/thermal requirements are strict. The result is a system-wide optimization problem with several knobs. In particular we focus on (1) co-scheduling decisions, i.e., selecting programs to co-locate in a space sharing manner; (2) resource partitioning on both CPUs and GPUs; and (3) power capping on both CPUs and GPUs. We solve this problem using predictive performance modeling using machine learning in order to coordinately optimize the above knob setups. Our experiential results using a real system show that our approach achieves up to 67% of speedup compared to a time-sharing-based scheduling with a naive power capping that evenly distributes power budgets across components.

Recent High-Performance Computing (HPC) systems are facing important challenges, such as massive power consumption, while at the same time significantly under-utilized system resources. Given the power consumption trends, future systems will be deployed in an over-provisioned manner where more resources are installed than they can afford to power simultaneously. In such a scenario, maximizing resource utilization and energy efficiency, while keeping a given power constraint, is pivotal. Driven by this observation, in this position paper we first highlight the recent trends of resource management techniques, with a particular focus on malleability support (i.e., dynamically scaling resource allocations/requirements for a job), co-scheduling (i.e., co-locating multiple jobs within a node), and power management. Second, we consider putting them together, assess their relationships/synergies, and discuss the functionality requirements in each software component for future over-provisioned and power-constrained HPC systems. Third, we briefly introduce our ongoing efforts on the integration of software tools, which will ultimately lead to the convergence of malleability and power management, as it is designed in the HPC PowerStack initiative.

CPU-GPU heterogeneous systems are now commonly used in HPC (High-Performance Computing). However, improving the utilization and energy-efficiency of such systems is still one of the most critical issues. As one single program typically cannot fully utilize all resources within a node/chip, co-scheduling (or co-locating) multiple programs with complementary resource requirements is a promising solution. Meanwhile, as power consumption has become the first-class design constraint for HPC systems, such co-scheduling techniques should be well-tailored for power-constrained environments. To this end, the industry recently started supporting hardware-level resource partitioning features on modern GPUs for realizing efficient co-scheduling, which can operate with existing power capping features. For example, NVidia's MIG (Multi-Instance GPU) partitions one single GPU into multiple instances at the granularity of a GPC (Graphics Processing Cluster). In this paper, we explicitly target the combination of hardware-level GPU partitioning features and power capping for power-constrained HPC systems. We provide a systematic methodology to optimize the combination of chip partitioning, job allocations, as well as power capping based on our scalability/interference modeling while taking a variety of aspects into account, such as compute/memory intensity and utilization in heterogeneous computational resources (e.g., Tensor Cores). The experimental result indicates that our approach is successful in selecting a near optimal combination across multiple different workloads.

The first domain decomposition methods for partial differential equations were already developed in 1870 by H. A. Schwarz. Here we consider a nonlocal Dirichlet problem with variable coefficients, where a nonlocal diffusion operator is used. We find that domain decomposition methods like the so-called Schwarz methods seem to be a natural way to solve these nonlocal problems. In this work we show the convergence for nonlocal problems, where specific symmetric kernels are employed, and present the implementation of the multiplicative and additive Schwarz algorithms in the above mentioned nonlocal setting., Comment: 29 pages, 9 figures

Social agents with finitely nested opponent models are vulnerable to manipulation by agents with deeper reasoning and more sophisticated opponent modelling. This imbalance, rooted in logic and the theory of recursive modelling frameworks, cannot be solved directly. We propose a computational framework, $\aleph$-IPOMDP, augmenting model-based RL agents' Bayesian inference with an anomaly detection algorithm and an out-of-belief policy. Our mechanism allows agents to realize they are being deceived, even if they cannot understand how, and to deter opponents via a credible threat. We test this framework in both a mixed-motive and zero-sum game. Our results show the $\aleph$ mechanism's effectiveness, leading to more equitable outcomes and less exploitation by more sophisticated agents. We discuss implications for AI safety, cybersecurity, cognitive science, and psychiatry., Comment: 11 pages, 5 figures

The Orion Nebula Cluster (ONC) is the closest site of very young ($\sim$ 1 Myrs) massive star formation. The ONC hosts more than 1600 young and X-ray bright stars with masses ranging from $\sim$ 0.1 to 35 $M_\odot$. The Chandra HETGS Orion Legacy Project observed the ONC with the Chandra high energy transmission grating spectrometer (HETGS) for $2.1\,$Ms. We describe the spectral extraction and cleaning processes necessary to separate overlapping spectra. We obtained 36 high resolution spectra which includes a high brilliance X-ray spectrum of $\theta^1$ Ori C with over 100 highly significant X-ray lines. The lines show Doppler broadening between 300 and $400\;\mathrm{km}\;\mathrm{s}^{-1}$. Higher spectral diffraction orders allow us to resolve line components of high Z He-like triplets in $\theta^1$ Ori C with unprecedented spectral resolution. Long term light curves spanning $\sim$20 years show all stars to be highly variable, including the massive stars. Spectral fitting with thermal coronal emission line models reveals that most sources show column densities of up to a few times $10^{22}\,$cm$^{-2}$ and high coronal temperatures of 10 to 90 MK. We observe a bifurcation of the high temperature component where some stars show a high component of 40 MK, while others show above 60 MK indicating heavy flaring activity. Some lines are resolved with Doppler broadening above our threshold of $\sim200\;\mathrm{km}\;\mathrm{s}^{-1}$, up to $500\;\mathrm{km}\;\mathrm{s}^{-1}$. This data set represents the largest collection of HETGS high resolution X-ray spectra from young pre-MS stars in a single star-forming region to date., Comment: Accepted by ApJ, fixed typo in the xlabel of Fig 12 (left panel)

In most prediction and estimation situations, scientists consider various statistical models for the same problem, and naturally want to select amongst the best. Hansen et al. (2011) provide a powerful solution to this problem by the so-called model confidence set, a subset of the original set of available models that contains the best models with a given level of confidence. Importantly, model confidence sets respect the underlying selection uncertainty by being flexible in size. However, they presuppose a fixed sample size which stands in contrast to the fact that model selection and forecast evaluation are inherently sequential tasks where we successively collect new data and where the decision to continue or conclude a study may depend on the previous outcomes. In this article, we extend model confidence sets sequentially over time by relying on sequential testing methods. Recently, e-processes and confidence sequences have been introduced as new, safe methods for assessing statistical evidence. Sequential model confidence sets allow to continuously monitor the models' performances and come with time-uniform, nonasymptotic coverage guarantees.