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In this paper, we prove that the local-global principle of $11$-isogenies for elliptic curves over quadratic fields does not fail. This gives a positive answer to a conjecture by Banwait and Cremona. The proof is based on the determination of the set of quadratic points on the modular curve $X_{D_{10}}(11)$., Comment: 9 pages

Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted many-body method for solving the Schr\"{o}dinger equation, known for its reliable predictions of material and molecular properties. Furthermore, its excellent scalability with system complexity and near-perfect utilization of computational power makes FN-DMC ideally positioned to leverage new advances in computing to address increasingly complex scientific problems. Even though the method is widely used as a computational gold standard, reproducibility across the numerous FN-DMC code implementations has yet to be demonstrated. This difficulty stems from the diverse array of DMC algorithms and trial wave functions, compounded by the method's inherent stochastic nature. This study represents a community-wide effort to address the titular question, affirming that: Yes, FN-DMC is reproducible (when handled with care). Using the water-methane dimer as the canonical test case, we compare results from eleven different FN-DMC codes and show that the approximations to treat the non-locality of pseudopotentials are the primary source of the discrepancies between them. In particular, we demonstrate that, for the same choice of determinantal component in the trial wave function, reliable and reproducible predictions can be achieved by employing the T-move (TM), the determinant locality approximation (DLA), or the determinant T-move (DTM) schemes, while the older locality approximation (LA) leads to considerable variability in results. This work lays the foundation to establish accurate and reproducible FN-DMC estimates for all future studies across applications in materials science, physics, chemistry, and biology.

Context. The UVJ color-color diagram is a widely used diagnostic to separate star-forming and quiescent galaxies. Observational data from photometric surveys reveal a strong stellar mass trend, with higher-mass star-forming galaxies being systematically more dust-reddened. Aims. We analyze the UVJ diagram in the TNG100 cosmological simulation at cosmic noon ($z\approx2$). Specifically, we focus on the trend between UVJ colors and mass which has so far not been reproduced in any cosmological simulation. Methods. We apply the SKIRT dust radiative transfer code to the TNG100 simulation to generate rest-frame UVJ fluxes. These UVJ colors are then compared to observational data from several well-studied extragalactic fields from the CANDELS/3D-HST programs, augmented by recent JWST/NIRCam photometry. Results. Quiescent and low-mass ($M_\star\lesssim10^{10.5}\,\mathrm{M}_\odot$) galaxies at cosmic noon do not require significant levels of dust reddening, as opposed to massive ($M_\star\gtrsim10^{11}\,\mathrm{M}_\odot$) star-forming galaxies. An extensive range of possible dust models fall short of the required dust reddening in V-J color for massive star-forming galaxies, with the simulated galaxies being too blue by $\approx0.9\,\mathrm{mag}$. Conclusions. We find that only variations in the star-to-dust geometries of the simulated galaxies can yield V-J colors that are red enough to match the observations. A toy model with isolated dust screens around younger stellar populations (with ages below $\sim1\,\mathrm{Gyr}$) can reproduce the observational data, while all conventional dust radiative transfer models (where the dust distribution follows the metals in the interstellar medium) fail to achieve the required V-J colors., Comment: Main text 17 pages, 12 figures. Resubmitted to A&A after first referee report. Comments warmly welcome!

Deep Reinforcement Learning (DRL) has been extensively used to address portfolio optimization problems. The DRL agents acquire knowledge and make decisions through unsupervised interactions with their environment without requiring explicit knowledge of the joint dynamics of portfolio assets. Among these DRL algorithms, the combination of actor-critic algorithms and deep function approximators is the most widely used DRL algorithm. Here, we find that training the DRL agent using the actor-critic algorithm and deep function approximators may lead to scenarios where the improvement in the DRL agent's risk-adjusted profitability is not significant. We propose that such situations primarily arise from the following two problems: sparsity in positive reward and the curse of dimensionality. These limitations prevent DRL agents from comprehensively learning asset price change patterns in the training environment. As a result, the DRL agents cannot explore the dynamic portfolio optimization policy to improve the risk-adjusted profitability in the training process. To address these problems, we propose a novel multi-agent Hierarchical Deep Reinforcement Learning (HDRL) algorithmic framework in this research. Under this framework, the agents work together as a learning system for portfolio optimization. Specifically, by designing an auxiliary agent that works together with the executive agent for optimal policy exploration, the learning system can focus on exploring the policy with higher risk-adjusted return in the action space with positive return and low variance. In this way, we can overcome the issue of the curse of dimensionality and improve the training efficiency in the positive reward sparse environment.

We propose the Cooperative Aerial Robot Inspection Challenge (CARIC), a simulation-based benchmark for motion planning algorithms in heterogeneous multi-UAV systems. CARIC features UAV teams with complementary sensors, realistic constraints, and evaluation metrics prioritizing inspection quality and efficiency. It offers a ready-to-use perception-control software stack and diverse scenarios to support the development and evaluation of task allocation and motion planning algorithms. Competitions using CARIC were held at IEEE CDC 2023 and the IROS 2024 Workshop on Multi-Robot Perception and Navigation, attracting innovative solutions from research teams worldwide. This paper examines the top three teams from CDC 2023, analyzing their exploration, inspection, and task allocation strategies while drawing insights into their performance across scenarios. The results highlight the task's complexity and suggest promising directions for future research in cooperative multi-UAV systems., Comment: Please find our website at https://ntu-aris.github.io/caric

The James Webb Space Telescope (JWST) is unveiling the rest-frame near-IR structure of galaxies. We measure the evolution with redshift of the rest-frame optical and near-IR S\'ersic index ($n$), and examine the dependence on stellar mass and star-formation activity across the redshift range $0.5\leq z\leq2.5$. We infer rest-frame near-IR S\'ersic profiles for $\approx 15.000$ galaxies in publicly available NIRCam imaging mosaics from the COSMOS-Web and PRIMER surveys. We augment these with rest-frame optical S\'ersic indices, previously measured from HST imaging mosaics. The median S\'ersic index evolves slowly or not at all with redshift, except for very high-mass galaxies ($M_\star > 10^{11}~{\text{M}}_\odot$), which show an increase from $n\approx 2.5$ to $n\approx 4$ at $z<1$. High-mass galaxies have higher $n$ than lower-mass galaxies ($M_\star=10^{9.5}~{\text{M}}_\odot$) at all redshifts, with a stronger dependence in the rest-frame near-IR than in the rest-frame optical at $z>1$. This wavelength dependence is caused by star-forming galaxies that have lower optical than near-IR $n$ at z>1 (but not at z<1). Both at optical and near-IR wavelengths, star-forming galaxies have lower $n$ than quiescent galaxies, fortifying the connection between star-formation activity and radial stellar mass distribution. At $z>1$ the median near-IR $n$ varies strongly with star formation activity, but not with stellar mass. The scatter in near-IR $n$ is higher in the green valley (0.25 dex) than on the star-forming sequence and among quiescent galaxies (0.18 dex) -- this trend is not seen in the optical because dust and young stars contribute to the variety in optical light profiles. Our newly measured rest-frame near-IR radial light profiles motivate future comparisons with radial stellar mass profiles of simulated galaxies as a stringent constraint on processes that govern galaxy formation., Comment: Accepted for publication on A&A

We discuss a new strategy to compute partial Auger decay widths with equation-of-motion ionisation-potential coupled-cluster (EOMIP-CCSD) wave functions in the framework of non-Hermitian quantum mechanics, where the decaying character of the metastable states is described via complex-scaled basis functions. While the total decay width can generally be obtained from the energy eigenvalues, the computation of partial decay widths, i. e. the contributions of channels to the total decay rate, governing their probability distribution, is less trivial. In the past, methods where channels are projected out during the EOMIP-CCSD iteration have been developed (Auger Channel Projector), but such a procedure requires to establish convergence of the excitation vector for each separately. Furthermore, they suffer from interaction between the channels upon perturbation of the wave function. In contrast, we suggest to compute the contribution of the two-electron transition that Auger decay implies, where two valence electrons are involved, one refilling the core hole and one emitted to the continuum, from the respective entries in the two-electron density matrix that describe the extent of this transition in the wave function upon application of correlation and excitation operator. In this way, we obtain all partial decay widths from wave functions determined in the full excitation manifold. The results from this approach compare very well to the Auger Channel Projector results: we compute spectra for K-edge ionised states of methane, ethane, hydrogen sulfide, and the cyanide anion, as well as Coster-Kronig spectra of L1-edge ionised hydrogen sulfide, which differ only negligibly between the two methods. A spectrum of the cyanide anion has not been reported before -- we discuss the selectivity of the decay process with respect to the initial state and the possibility of interatomic Auger decay.

The world of nanoscales in fluidics is the frontier where the continuum of fluid mechanics meets the atomic, and even quantum, nature of matter. While water dynamics remains largely classical under extreme confinement, several experiments have recently reported coupling between water transport and the electronic degrees of freedom of the confining materials. This avenue prompts us to reconsider nanoscale hydrodynamic flows under the perspective of interacting excitations, akin to condensed matter frameworks. Here we show, using a combination of many-body theory and molecular simulations, that the flow of a liquid can induce the flow of another liquid behind a separating wall, at odds with the prediction of continuum hydrodynamics. We further show that the range of this 'flow tunnelling' can be tuned through the solid's electronic excitations, with a maximum occurring when these are at resonance with the liquid's charge density fluctuations. Flow tunnelling is expected to play a role in global transport across nanoscale fluidic networks, such as lamellar graphene oxide or MXene membranes. It further suggests exploiting the electronic properties of the confining walls for manipulating liquids via their dielectric spectra, beyond the nature and characteristics of individual molecules.

Quantum-mechanical simulations can offer atomic-level insights into chemical processes on surfaces. This understanding is crucial for the rational design of new solid catalysts as well as materials to store energy and mitigate greenhouse gases. However, achieving the accuracy needed for reliable predictions has proven challenging. Density functional theory (DFT), the workhorse quantum-mechanical method, can often lead to inconsistent predictions, necessitating accurate methods from correlated wave-function theory (cWFT). However, the high computational demands and significant user intervention associated with cWFT have traditionally made it impractical to carry out for surfaces. In this work, we address this challenge, presenting an automated framework which leverages multilevel embedding approaches, to apply accurate cWFT methods to ionic surfaces with computational costs approaching DFT. With this framework, we have reproduced experimental adsorption enthalpies for a diverse set of 19 adsorbate-surface systems. Moreover, we resolve long-standing debates on the adsorption configuration of several systems, while offering valuable benchmarks to assess DFT. This framework is completely open-source, making it possible to now routinely apply cWFT to complex problems in ionic surface chemistry.

The accurate treatment of non-covalent interactions is necessary to model a wide range of applications, from molecular crystals to surface catalysts to aqueous solutions and many more. Quantum diffusion Monte Carlo (DMC) and coupled cluster theory with single, double and perturbative triple excitations [CCSD(T)] are considered two widely-trusted methods for treating non-covalent interactions. However, while they have been well-validated for small molecules, recent work has indicated that these two methods can disagree by more than $7.5\,$kcal/mol for larger systems. The origin of this discrepancy remains unknown. Moreover, the lack of systematic comparisons, particularly for medium-sized complexes, has made it difficult to identify which systems may be prone to such disagreements and the potential scale of these differences. In this work, we leverage the latest developments in DMC to compute interaction energies for the entire S66 dataset, containing 66 medium-sized complexes with a balanced representation of dispersion and electrostatic interactions. Comparison to previous CCSD(T) references reveals systematic trends, with DMC predicting stronger binding than CCSD(T) for electrostatic-dominated systems, while the binding becomes weaker for dispersion-dominated systems. We show that the relative strength of this discrepancy is correlated to the ratio of electrostatic and dispersion interactions, as obtained from energy decomposition analysis methods. Finally, we pinpoint systems in the S66 dataset where these discrepancies are particularly prominent, offering cost-effective benchmarks to guide future developments in DMC, CCSD(T) as well as the wider electronic structure theory community.

Observational studies provide the only evidence on the effectiveness of interventions when randomized controlled trials (RCTs) are impractical due to cost, ethical concerns, or time constraints. While many methodologies aim to draw causal inferences from observational data, there is a growing trend to model observational study designs after RCTs, a strategy known as "target trial emulation." Despite its potential, causal inference through target trial emulation cannot fully address the confounding bias in real-world data due to the lack of randomization. In this work, we present a novel framework for target trial emulation that aims to overcome several key limitations, including confounding bias. The framework proceeds as follows: First, we apply the eligibility criteria of a specific trial to an observational cohort. We then "correct" this cohort by extracting a subset that matches both the distribution of covariates and the baseline prognosis of the control group in the target RCT. Next, we address unmeasured confounding by adjusting the prognosis estimates of the treated group to align with those observed in the trial. Following trial emulation, we go a step further by leveraging the emulated cohort to train optimal decision trees, to identify subgroups of patients with heterogeneity in treatment effects (HTE). The absence of confounding is verified using two external models, and the validity of the treatment recommendations is independently confirmed by the team responsible for the original trial we emulate. To our knowledge, this is the first framework to successfully address both observed and unobserved confounding, a challenge that has historically limited the use of randomized trial emulation and causal inference. Additionally, our framework holds promise in advancing precision medicine by identifying patient subgroups that benefit most from specific treatments.

In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific progress. However, effectively training new software users presents several challenges. Common methods like direct knowledge transfer and in-person workshops are limited in reach and comprehensiveness. Furthermore, while the COVID-19 pandemic highlighted the benefits of online training, traditional online tutorials can quickly become outdated and may not cover all the software's functionalities. To address these issues, here we introduce ``PLUMED Tutorials'', a collaborative model for developing, sharing, and updating online tutorials. This initiative utilizes repository management and continuous integration to ensure compatibility with software updates. Moreover, the tutorials are interconnected to form a structured learning path and are enriched with automatic annotations to provide broader context. This paper illustrates the development, features, and advantages of PLUMED Tutorials, aiming to foster an open community for creating and sharing educational resources., Comment: 26 pages, 5 figures

The X-ray polarization observations made possible with the Imaging X-ray Polarimetry Explorer (IXPE) offer new ways of probing high-energy emission processes in astrophysical jets from blazars. Here we report on the first X-ray polarization observation of the blazar S4 0954+65 in a high optical and X-ray state. During our multi-wavelength campaign on the source, we detected an optical flare whose peak coincided with the peak of an X-ray flare. This optical-X-ray flare most likely took place in a feature moving along the parsec-scale jet, imaged at 43 GHz by the Very Long Baseline Array. The 43 GHz polarization angle of the moving component underwent a rotation near the time of the flare. In the optical band, prior to the IXPE observation, we measured the polarization angle to be aligned with the jet axis. In contrast, during the optical flare the optical polarization angle was perpendicular to the jet axis; after the flare, it reverted to being parallel to the jet axis. Due to the smooth behavior of the optical polarization angle during the flare, we favor shocks as the main acceleration mechanism. We also infer that the ambient magnetic field lines in the jet were parallel to the jet position angle. The average degree of optical polarization during the IXPE observation was (14.3$\pm$4.1)%. Despite the flare, we only detected an upper limit of 14% (at 3$\sigma$ level) on the X-ray polarization degree; although a reasonable assumption on the X-ray polarization angle results in an upper limit of 8.8% ($3\sigma$). We model the spectral energy distribution (SED) and spectral polarization distribution (SPD) of S4 0954+65 with leptonic (synchrotron self-Compton) and hadronic (proton and pair synchrotron) models. The constraints we obtain with our combined multi-wavelength polarization observations and SED modeling tentatively disfavor hadronic models for the X-ray emission in S4 0954+65., Comment: Submitted to A&A, 16 pages, 5 figures, and 7 tables

Ultrasound (US) imaging is widely used in routine clinical practice due to its advantages of being radiation-free, cost-effective, and portable. However, the low reproducibility and quality of US images, combined with the scarcity of expert-level annotation, make the training of fully supervised segmentation models challenging. To address these issues, we propose a novel unsupervised anomaly detection framework based on a diffusion model that incorporates a synthetic anomaly (Synomaly) noise function and a multi-stage diffusion process. Synomaly noise introduces synthetic anomalies into healthy images during training, allowing the model to effectively learn anomaly removal. The multi-stage diffusion process is introduced to progressively denoise images, preserving fine details while improving the quality of anomaly-free reconstructions. The generated high-fidelity counterfactual healthy images can further enhance the interpretability of the segmentation models, as well as provide a reliable baseline for evaluating the extent of anomalies and supporting clinical decision-making. Notably, the unsupervised anomaly detection model is trained purely on healthy images, eliminating the need for anomalous training samples and pixel-level annotations. We validate the proposed approach on carotid US, brain MRI, and liver CT datasets. The experimental results demonstrate that the proposed framework outperforms existing state-of-the-art unsupervised anomaly detection methods, achieving performance comparable to fully supervised segmentation models in the US dataset. Additionally, ablation studies underline the importance of hyperparameter selection for Synomaly noise and the effectiveness of the multi-stage diffusion process in enhancing model performance.

Defining a distance in a mixed setting requires the quantification of observed differences of variables of different types and of variables that are measured on different scales. There exist several proposals for mixed variable distances, however, such distances tend to be biased towards specific variable types and measurement units. That is, the variable types and scales influence the contribution of individual variables to the overall distance. In this paper, we define unbiased mixed variable distances for which the contributions of individual variables to the overall distance are not influenced by measurement types or scales. We define the relevant concepts to quantify such biases and we provide a general formulation that can be used to construct unbiased mixed variable distances., Comment: 40 pages, 9 figures

Modern machine learning systems represent their computations as dataflow graphs. The increasingly complex neural network architectures crave for more powerful yet efficient programming abstractions. In this paper we propose an efficient technique for supporting recursive function definitions in dataflow-based systems such as TensorFlow. The proposed approach transforms the given recursive definitions into a static dataflow graph that is enriched with two simple yet powerful dataflow operations. Since static graphs do not change during execution, they can be easily partitioned and executed efficiently in distributed and heterogeneous environments. The proposed technique makes heavy use of the idea of tagging, which was one of the cornerstones of dataflow systems since their inception. We demonstrate that our technique is compatible with the idea of automatic differentiation, a notion that is crucial for dataflow systems that focus on deep learning applications. We describe the principles of an actual implementation of the technique in the TensorFlow framework, and present experimental results that demonstrate that the use of tagging is of paramount importance for developing efficient high-level abstractions for modern dataflow systems.

Recent advancements in transformer-based language models have sparked research into their logical reasoning capabilities. Most of the benchmarks used to evaluate these models are simple: generated from short (fragments of) first-order logic sentences with only a few logical operators and quantifiers. We construct the natural language dataset, DELTA$_D$, using the expressive description logic language $\mathcal{ALCQ}$. DELTA$_D$ comprises 384K examples and increases in two dimensions: i) reasoning depth, and ii) linguistic complexity. In this way, we systematically investigate the logical reasoning capabilities of a supervised fine-tuned DeBERTa-based model and two large language models (GPT-3.5, GPT-4) with few-shot prompting. We show that the DeBERTa-based model fine-tuned on our dataset can master the entailment checking task. Moreover, the performance of GPTs can improve significantly even when a small number of samples is provided (9 shots). We open-source our code and datasets., Comment: Presented at NeLaMKRR@KR, 2024 (arXiv:2410.05339)

As AI models grow larger, the demand for accountability and interpretability has become increasingly critical for understanding their decision-making processes. Concept Bottleneck Models (CBMs) have gained attention for enhancing interpretability by mapping inputs to intermediate concepts before making final predictions. However, CBMs often suffer from information leakage, where additional input data, not captured by the concepts, is used to improve task performance, complicating the interpretation of downstream predictions. In this paper, we introduce a novel approach for training both joint and sequential CBMs that allows us to identify and control leakage using decision trees. Our method quantifies leakage by comparing the decision paths of hard CBMs with their soft, leaky counterparts. Specifically, we show that soft leaky CBMs extend the decision paths of hard CBMs, particularly in cases where concept information is incomplete. Using this insight, we develop a technique to better inspect and manage leakage, isolating the subsets of data most affected by this. Through synthetic and real-world experiments, we demonstrate that controlling leakage in this way not only improves task accuracy but also yields more informative and transparent explanations.

We introduce SmallTalk LM, an innovative method for training a mixture of language models in an almost asynchronous manner. Each model of the mixture specializes in distinct parts of the data distribution, without the need of high-bandwidth communication between the nodes training each model. At inference, a lightweight router directs a given sequence to a single expert, according to a short prefix. This inference scheme naturally uses a fraction of the parameters from the overall mixture model. Our experiments on language modeling demonstrate tha SmallTalk LM achieves significantly lower perplexity than dense model baselines for the same total training FLOPs and an almost identical inference cost. Finally, in our downstream evaluations we outperform the dense baseline on $75\%$ of the tasks., Comment: 23 pages

Recent work has suggested that nanoconfined water may exhibit superionic proton transport at lower temperatures and pressures than bulk water. Using first-principles-level simulations, we study the role of nuclear quantum effects in inducing this superionicity in nanoconfined water. We show that nuclear quantum effects increase the ionic conductivity of nanoconfined hexatic water, leading to superionic behaviour at lower temperatures and pressures than previously thought possible. Our work suggests that superionic water may be accessible in graphene nanocapillary experiments., Comment: 8 pages, 3 figures

The Clifford hierarchy, introduced by Gottesman and Chuang in 1999, is an increasing sequence of sets of quantum gates crucial to the gate teleportation model for fault-tolerant quantum computation. Gates in the hierarchy can be deterministically implemented, with increasing complexity, via gate teleportation using (adaptive) Clifford circuits with access to magic states. We propose an analogous gate teleportation protocol and a related hierarchy in the context of matchgate circuits, another restricted class of quantum circuits that can be efficiently classically simulated but are promoted to quantum universality via access to `matchgate-magic' states. The protocol deterministically implements any $n$-qubit gate in the hierarchy using adaptive matchgate circuits with magic states, with the level in the hierarchy indicating the required depth of adaptivity and thus number of magic states consumed. It also provides a whole family of novel deterministic matchgate-magic states. We completely characterise the gates in the matchgate hierarchy for two qubits, with the consequence that, in this case, the required number of resource states grows linearly with the target gate's level in the hierarchy. For an arbitrary number of qubits, we propose a characterisation of the matchgate hierarchy by leveraging the fermionic Stone$\unicode{x2013}$von Neumann theorem. It places a polynomial upper bound on the space requirements for representing gates at each level., Comment: 25 pages, 4 figures

Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This paper aims to provide an overview and introduction into machine learning potentials and their practical application to scientific problems. We provide a systematic guide for developing machine learning potentials, reviewing chemical descriptors, regression models, data generation and validation approaches. We begin with an emphasis on the earlier generation of models, such as high-dimensional neural network potentials (HD-NNPs) and Gaussian approximation potential (GAP), to provide historical perspective and guide the reader towards the understanding of recent developments, which are discussed in detail thereafter. Furthermore, we refer to relevant expert reviews, open-source software, and practical examples - further lowering the barrier to exploring these methods. The paper ends with selected showcase examples, highlighting the capabilities of machine learning potentials and how they can be applied to push the boundaries in atomistic simulations.

The entropic risk measure is widely used in high-stakes decision making to account for tail risks associated with an uncertain loss. With limited data, the empirical entropic risk estimator, i.e. replacing the expectation in the entropic risk measure with a sample average, underestimates the true risk. To mitigate the bias in the empirical entropic risk estimator, we propose a strongly asymptotically consistent bootstrapping procedure. The first step of the procedure involves fitting a distribution to the data, whereas the second step estimates the bias of the empirical entropic risk estimator using bootstrapping, and corrects for it. Two methods are proposed to fit a Gaussian Mixture Model to the data, a computationally intensive one that fits the distribution of empirical entropic risk, and a simpler one with a component that fits the tail of the empirical distribution. As an application of our approach, we study distributionally robust entropic risk minimization problems with type-$\infty$ Wasserstein ambiguity set and apply our bias correction to debias validation performance. Furthermore, we propose a distributionally robust optimization model for an insurance contract design problem that takes into account the correlations of losses across households. We show that choosing regularization parameters based on the cross validation methods can result in significantly higher out-of-sample risk for the insurer if the bias in validation performance is not corrected for. This improvement in performance can be explained from the observation that our methods suggest a higher (and more accurate) premium to homeowners.

The escalating complexity of applications and services encourages a shift towards higher-level data processing pipelines that integrate both Cloud-native and HPC steps into the same workflow. Cloud providers and HPC centers typically provide both execution platforms on separate resources. In this paper we explore a more practical design that enables running unmodified Cloud-native workloads directly on the main HPC cluster, avoiding resource partitioning and retaining the HPC center's existing job management and accounting policies.

There has been a lot of interest in grounding natural language to physical entities through visual context. While Vision Language Models (VLMs) can ground linguistic instructions to visual sensory information, they struggle with grounding non-visual attributes, like the weight of an object. Our key insight is that non-visual attribute detection can be effectively achieved by active perception guided by visual reasoning. To this end, we present a perception-action programming API that consists of VLMs and Large Language Models (LLMs) as backbones, together with a set of robot control functions. When prompted with this API and a natural language query, an LLM generates a program to actively identify attributes given an input image. Offline testing on the Odd-One-Out dataset demonstrates that our framework outperforms vanilla VLMs in detecting attributes like relative object location, size, and weight. Online testing in realistic household scenes on AI2-THOR and a real robot demonstration on a DJI RoboMaster EP robot highlight the efficacy of our approach.

The use of transformers for vision tasks has challenged the traditional dominant role of convolutional neural networks (CNN) in computer vision (CV). For image classification tasks, Vision Transformer (ViT) effectively establishes spatial relationships between patches within images, directing attention to important areas for accurate predictions. However, similar to CNNs, ViTs are vulnerable to adversarial attacks, which mislead the image classifier into making incorrect decisions on images with carefully designed perturbations. Moreover, adversarial patch attacks, which introduce arbitrary perturbations within a small area, pose a more serious threat to ViTs. Even worse, traditional detection methods, originally designed for CNN models, are impractical or suffer significant performance degradation when applied to ViTs, and they generally overlook patch attacks. In this paper, we propose ViTGuard as a general detection method for defending ViT models against adversarial attacks, including typical attacks where perturbations spread over the entire input and patch attacks. ViTGuard uses a Masked Autoencoder (MAE) model to recover randomly masked patches from the unmasked regions, providing a flexible image reconstruction strategy. Then, threshold-based detectors leverage distinctive ViT features, including attention maps and classification (CLS) token representations, to distinguish between normal and adversarial samples. The MAE model does not involve any adversarial samples during training, ensuring the effectiveness of our detectors against unseen attacks. ViTGuard is compared with seven existing detection methods under nine attacks across three datasets. The evaluation results show the superiority of ViTGuard over existing detectors. Finally, considering the potential detection evasion, we further demonstrate ViTGuard's robustness against adaptive attacks for evasion., Comment: To appear in the Annual Computer Security Applications Conference (ACSAC) 2024

Cooperative control of multi-UAV systems has attracted substantial research attention due to its significance in various application sectors such as emergency response, search and rescue missions, and critical infrastructure inspection. This paper proposes a distributed control algorithm to generate collision-free trajectories that drive the multi-UAV system to completely inspect a set of 3D points on the surface of an object of interest. The objective of the UAVs is to cooperatively inspect the object of interest in the minimum amount of time. Extensive numerical simulations for a team of quadrotor UAVs inspecting a real 3D structure illustrate the validity and effectiveness of the proposed approach.

Recent advancements in computer vision, particularly in detection, segmentation, and classification, have significantly impacted various domains. However, these advancements are tied to RGB-based systems, which are insufficient for applications in industries like waste sorting, pharmaceuticals, and defense, where advanced object characterization beyond shape or color is necessary. Hyperspectral (HS) imaging, capturing both spectral and spatial information, addresses these limitations and offers advantages over conventional technologies such as X-ray fluorescence and Raman spectroscopy, particularly in terms of speed, cost, and safety. This study evaluates the potential of combining HS imaging with deep learning for material characterization. The research involves: i) designing an experimental setup with HS camera, conveyor, and controlled lighting; ii) generating a multi-object dataset of various plastics (HDPE, PET, PP, PS) with semi-automated mask generation and Raman spectroscopy-based labeling; and iii) developing a deep learning model trained on HS images for pixel-level material classification. The model achieved 99.94\% classification accuracy, demonstrating robustness in color, size, and shape invariance, and effectively handling material overlap. Limitations, such as challenges with black objects, are also discussed. Extending computer vision beyond RGB to HS imaging proves feasible, overcoming major limitations of traditional methods and showing strong potential for future applications., Comment: 13 pages, 15 figures, 6 equations

This work provides a vision on how to tackle the underutilization of compute resources in FPGA SoC devices used across 5G and edge computing infrastructures. A first step towards this end is the implementation of a resource management layer able to migrate and scale functions in such devices, based on context events. This layer sets the basis to design a hierarchical data-driven micro-orchestrator in charge of providing the lifecycle management of functions in FPGA SoC devices. In the O-RAN context, the micro-orchestrator is foreseen to take the form of an xApp/rApp tandem trained with RAN traffic and context data., Comment: Article accepted in the IEEE International Conference on 6G Networking (6GNet 2024)

We revisit a quiet 14-day period of solar minimum during January 2008 and track sub-streamer propagating disturbances (PDs) from low heights in STEREO/EUVI to the extended corona through STEREO/COR1 and into STEREO/COR2 along nonradial paths that trace the structure of the underlying streamers. Using our recently developed method for generating nonradial Height-Time profiles of outward PDs (OPDs) and inward PDs (IPDs), we obtained their velocities along the radial and position angle directions. Our analysis of 417 unique OPDs revealed two classes: slow and fast OPDs. Slow OPDs form preferentially at $\approx$1.6 $R_\odot$ closer to the streamer boundaries, with asymmetric occurrence rates, and show speeds of $16.4_{-8.4}^{+26.6}km/s$ at 1.5 $R_\odot$ and accelerate up to $200.1_{-57.9}^{+71.1}km/s$ at 7.5 $R_\odot$. Fast OPDs form preferentially at $\approx$ 1.6 $R_\odot$ and at $\approx$3.0 $R_\odot$ both at the streamer boundaries and slightly more often within them. They show speeds of $87.8_{-24.8}^{+59.1}km/s$ at 1.5 $R_\odot$ up to $197.8_{-46.7}^{+61.8}km/s$ at 7.5 $R_\odot$. IPDs are observed forming at $\approx$1.8 $R_\odot$ with speeds of tens of $km/s$, mostly concentrated in the aftermath of a CME eruption. We present an example in which we show that periodic brightness variations related to OPDs remained in the range of 98 to 128 min, down to $\approx$2.0 $R_\odot$, well within the field of view of COR1. The velocity profiles of slow OPDs for heliocentric height below 3.0 $R_\odot$ show good agreement with speeds more closely related to the bulk solar wind obtained via interplanetary scintillation.

The spatial sensitivity of an ultrasound transducer, which strongly influences its suitability for different applications, depends on the shape of the transducer surface. Accurate simulation of these spatial effects is important for transducer characterization and design, and for system response modelling in imaging applications. In optoacoustic imaging, broadband transducers are used to capitalize on the rich frequency content of the signals, but their usage makes highly accurate simulations with general wave equation solvers prohibitively memory- and time-intensive. Therefore, specialized tools for simulating the isolated spatial focusing properties described by the spatial impulse response (SIR) have been developed. However, the challenging numerics of the SIR and the necessity to convolve the SIR with the wave shape generated by the optoacoustic absorber to simulate the system response lead to numerical inaccuracies of SIR-based methods. In addition, the approximation error of these methods cannot be controlled a priori. To circumvent the problems associated with the explicit calculation of SIR, we propose directly computing the convolution of the required wave shape with the SIR, which we call the spatial pulse response (SPR). We demonstrate that by utilizing an h-adaptive cubature algorithm, SPR can be computed with significantly higher accuracy than an SIR-based reference method, and the approximation error can be controlled with a tolerance parameter. In addition, the integration of accurate SPR simulations into model-based optoacoustic image reconstruction is shown to improve image contrast and reduce noise artifacts. Precise system characterization and simulation leads to improved imaging performance, ultimately increasing the value of optoacoustic imaging systems for clinical applications.

AI prevails in financial fraud detection and decision making. Yet, due to concerns about biased automated decision making or profiling, regulations mandate that final decisions are made by humans. Financial fraud investigators face the challenge of manually synthesizing vast amounts of unstructured information, including AI alerts, transaction histories, social media insights, and governmental laws. Current Visual Analytics (VA) systems primarily support isolated aspects of this process, such as explaining binary AI alerts and visualizing transaction patterns, thus adding yet another layer of information to the overall complexity. In this work, we propose a framework where the VA system supports decision makers throughout all stages of financial fraud investigation, including data collection, information synthesis, and human criteria iteration. We illustrate how VA can claim a central role in AI-aided decision making, ensuring that human judgment remains in control while minimizing potential biases and labor-intensive tasks., Comment: Accepted poster at IEEE VIS '24, Florida, USA, 13-18 October, 2024

Real-time visual feedback from catheterization analysis is crucial for enhancing surgical safety and efficiency during endovascular interventions. However, existing datasets are often limited to specific tasks, small scale, and lack the comprehensive annotations necessary for broader endovascular intervention understanding. To tackle these limitations, we introduce CathAction, a large-scale dataset for catheterization understanding. Our CathAction dataset encompasses approximately 500,000 annotated frames for catheterization action understanding and collision detection, and 25,000 ground truth masks for catheter and guidewire segmentation. For each task, we benchmark recent related works in the field. We further discuss the challenges of endovascular intentions compared to traditional computer vision tasks and point out open research questions. We hope that CathAction will facilitate the development of endovascular intervention understanding methods that can be applied to real-world applications. The dataset is available at https://airvlab.github.io/cathaction/., Comment: 10 pages. Webpage: https://airvlab.github.io/cathaction/

We propose a stable model semantics for higher-order logic programs. Our semantics is developed using Approximation Fixpoint Theory (AFT), a powerful formalism that has successfully been used to give meaning to diverse non-monotonic formalisms. The proposed semantics generalizes the classical two-valued stable model semantics of (Gelfond and Lifschitz 1988) as-well-as the three-valued one of (Przymusinski 1990), retaining their desirable properties. Due to the use of AFT, we also get for free alternative semantics for higher-order logic programs, namely supported model, Kripke-Kleene, and well-founded. Additionally, we define a broad class of stratified higher-order logic programs and demonstrate that they have a unique two-valued higher-order stable model which coincides with the well-founded semantics of such programs. We provide a number of examples in different application domains, which demonstrate that higher-order logic programming under the stable model semantics is a powerful and versatile formalism, which can potentially form the basis of novel ASP systems.

The rapid proliferation of Internet of Things (IoT) devices across multiple sectors has escalated serious network security concerns. This has prompted ongoing research in Machine Learning (ML)-based Intrusion Detection Systems (IDSs) for cyber-attack classification. Traditional ML models require data transmission from IoT devices to a centralized server for traffic analysis, raising severe privacy concerns. To address this issue, researchers have studied Federated Learning (FL)-based IDSs that train models across IoT devices while keeping their data localized. However, the heterogeneity of data, stemming from distinct vulnerabilities of devices and complexity of attack vectors, poses a significant challenge to the effectiveness of FL models. While current research focuses on adapting various ML models within the FL framework, they fail to effectively address the issue of attack class imbalance among devices, which significantly degrades the classification accuracy of minority attacks. To overcome this challenge, we introduce FedMADE, a novel dynamic aggregation method, which clusters devices by their traffic patterns and aggregates local models based on their contributions towards overall performance. We evaluate FedMADE against other FL algorithms designed for non-IID data and observe up to 71.07% improvement in minority attack classification accuracy. We further show that FedMADE is robust to poisoning attacks and incurs only a 4.7% (5.03 seconds) latency overhead in each communication round compared to FedAvg, without increasing the computational load of IoT devices., Comment: To appear in the Information Security Conference (ISC) 2024

Water's ability to autoionize into hydroxide and hydronium ions profoundly influences surface properties, rendering interfaces either basic or acidic. While it is well-established that the water-air interface is acidic, a critical knowledge gap exists in technologically relevant surfaces like the graphene-water interface. Here we use machine learning-based simulations with first-principles accuracy to unravel the behavior of the hydroxide and hydronium ions at the graphene-water interface. Our findings reveal that the graphene-water interface is acidic, with the hydronium ion predominantly residing in the first contact layer of water. In contrast, the hydroxide ion exhibits a bimodal distribution, found both near the surface and towards the interior layers. Analysis of the underlying electronic structure reveals strong polarization effects, resulting in counterintuitive charge rearrangement. Proton propensity to the graphene-water interface challenges the interpretation of surface experiments and is expected to have far-reaching consequences for ion conductivity, interfacial reactivity, and proton-mediated processes.

Ultrasound is widely used in medical diagnostics allowing for accessible and powerful imaging but suffers from resolution limitations due to diffraction and the finite aperture of the imaging system, which restricts diagnostic use. The impulse function of an ultrasound imaging system is called the point spread function (PSF), which is convolved with the spatial distribution of reflectors in the image formation process. Recovering high-resolution reflector distributions by removing image distortions induced by the convolution process improves image clarity and detail. Conventionally, deconvolution techniques attempt to rectify the imaging system's dependent PSF, working directly on the radio-frequency (RF) data. However, RF data is often not readily accessible. Therefore, we introduce a physics-based deconvolution process using a modeled PSF, working directly on the more commonly available B-mode images. By leveraging Implicit Neural Representations (INRs), we learn a continuous mapping from spatial locations to their respective echogenicity values, effectively compensating for the discretized image space. Our contribution consists of a novel methodology for retrieving a continuous echogenicity map directly from a B-mode image through a differentiable physics-based rendering pipeline for ultrasound resolution enhancement. We qualitatively and quantitatively evaluate our approach on synthetic data, demonstrating improvements over traditional methods in metrics such as PSNR and SSIM. Furthermore, we show qualitative enhancements on an ultrasound phantom and an in-vivo acquisition of a carotid artery., Comment: Accepted at the Workshop of Advances in Simplifying Medical Ultrasound at MICCAI 2024

A central pillar of the UK's response to the SARS-CoV-2 pandemic was the provision of up-to-the moment nowcasts and short term projections to monitor current trends in transmission and associated healthcare burden. Here we present a detailed deconstruction of one of the 'real-time' models that was key contributor to this response, focussing on the model adaptations required over three pandemic years characterised by the imposition of lockdowns, mass vaccination campaigns and the emergence of new pandemic strains. The Bayesian model integrates an array of surveillance and other data sources including a novel approach to incorporating prevalence estimates from an unprecedented large-scale household survey. We present a full range of estimates of the epidemic history and the changing severity of the infection, quantify the impact of the vaccination programme and deconstruct contributing factors to the reproduction number. We further investigate the sensitivity of model-derived insights to the availability and timeliness of prevalence data, identifying its importance to the production of robust estimates., Comment: 35 pages, 7 figures, 3 tables

In response to stringent emission reduction targets imposed by the International Maritime Organization (IMO) and the European Green Deal's Fit for 55 legislation package, the maritime industry has shifted its focus towards decarbonization. While significant attention has been placed on vessels exceeding 5,000 gross tons (GT), emissions from coastal and short sea shipping, amounting to approximately 13% of global shipping transportation and 15% within the European Union (EU), have not received adequate consideration. This abstract introduces the Zero Emission Sea Transporter (ZEST) project, designed to address this issue by developing a zero-emissions multi-purpose catamaran for short sea route

Ultrasound-guided percutaneous needle insertion is a standard procedure employed in both biopsy and ablation in clinical practices. However, due to the complex interaction between tissue and instrument, the needle may deviate from the in-plane view, resulting in a lack of close monitoring of the percutaneous needle. To address this challenge, we introduce a robot-assisted ultrasound (US) imaging system designed to seamlessly monitor the insertion process and autonomously restore the visibility of the inserted instrument when misalignment happens. To this end, the adversarial structure is presented to encourage the generation of segmentation masks that align consistently with the ground truth in high-order space. This study also systematically investigates the effects on segmentation performance by exploring various training loss functions and their combinations. When misalignment between the probe and the percutaneous needle is detected, the robot is triggered to perform transverse searching to optimize the positional and rotational adjustment to restore needle visibility. The experimental results on ex-vivo porcine samples demonstrate that the proposed method can precisely segment the percutaneous needle (with a tip error of $0.37\pm0.29mm$ and an angle error of $1.19\pm 0.29^{\circ}$). Furthermore, the needle appearance can be successfully restored under the repositioned probe pose in all 45 trials, with repositioning errors of $1.51\pm0.95mm$ and $1.25\pm0.79^{\circ}$. from latex to text with math symbols, Comment: accepted by IEEE TIM. code: https://github.com/noseefood/NeedleSegmentation-GAN; video: https://youtu.be/4WuEP9PACs0

We present the study of two solar eruptive events observed on December 7 2020 and October 28 2021.Both events were associated with full halo CMEs and flares.These events were chosen because they show a strong non-radial direction of propagation in the low corona and their main propagation direction is not fully aligned with the Sun-Earth line.This characteristic makes them suitable for our study, which aims to inspect how the non-radial direction of propagation in the low corona affects the time of CMEs' arrival at Earth.We reconstructed the CMEs using coronagraph observations and modelled them with EUHFORIA and the cone model for CMEs.To compare the accuracy of forecasting the CME arrival time at Earth obtained from different methods, we also used so-called typeII bursts, radio signatures of associated shocks, to find the velocities of the CME-driven shocks and forecast the time of their arrival at Earth.We also estimated the CME arrival time using the 2D CME velocity.Our results show that the lowest accuracy of estimated CME Earth arrival times is found when the 2D CME velocity is used.The velocity of the typeII radio bursts provides better, but still not very accurate, results.Employing, as an input to EUHFORIA, the CME parameters obtained from the GCS fittings at consequently increasing heights, results in a strongly improved accuracy of the modelled CME and shock arrival time Delta t changes from 14h to 10min for the first event, and from 12h to 30min for the second one.This improvement shows that when we increased the heights of the GCS reconstruction we accounted for the change in the propagation direction of the studied CMEs, which allowed us to accurately model the CME flank encounter at Earth. Our results show the great importance of the change in the direction of propagation of the CME in the low corona when modelling CMEs and estimating the time of their arrival at Earth.

LSM-based key-value (KV) stores are an important component in modern data infrastructures. However, they suffer from high tail latency, in the order of several seconds, making them less attractive for user-facing applications. In this paper, we introduce the notion of compaction chains and we analyse how they affect tail latency. Then, we show that modern designs reduce tail latency, by trading I/O amplification or require large amounts of memory. Based on our analysis, we present vLSM, a new KV store design that improves tail latency significantly without compromising on memory or I/O amplification. vLSM reduces (a) compaction chain width by using small SSTs and eliminating the tiering compaction required in L0 by modern systems and (b) compaction chain length by using a larger than typical growth factor between L1 and L2 and introducing overlap-aware SSTs in L1. We implement vLSM in RocksDB and evaluate it using db_bench and YCSB. Our evaluation highlights the underlying trade-off among memory requirements, I/O amplification, and tail latency, as well as the advantage of vLSM over current approaches. vLSM improves P99 tail latency by up to 4.8x for writes and by up to 12.5x for reads, reduces cumulative write stalls by up to 60% while also slightly improves I/O amplification at the same memory budget.

The need for intelligent and efficient resource provisioning for the productive management of resources in real-world scenarios is growing with the evolution of telecommunications towards the 6G era. Technologies such as Open Radio Access Network (O-RAN) can help to build interoperable solutions for the management of complex systems. Probabilistic forecasting, in contrast to deterministic single-point estimators, can offer a different approach to resource allocation by quantifying the uncertainty of the generated predictions. This paper examines the cloud-native aspects of O-RAN together with the radio App (rApp) deployment options. The integration of probabilistic forecasting techniques as a rApp in O-RAN is also emphasized, along with case studies of real-world applications. Through a comparative analysis of forecasting models using the error metric, we show the advantages of Deep Autoregressive Recurrent network (DeepAR) over other deterministic probabilistic estimators. Furthermore, the simplicity of Simple-Feed-Forward (SFF) leads to a fast runtime but does not capture the temporal dependencies of the input data. Finally, we present some aspects related to the practical applicability of cloud-native O-RAN with probabilistic forecasting.

We present spatially resolved, simple stellar population equivalent ages, stellar metallicities, and abundance ratios for 456 massive ($10.3\lesssim\log(\mathrm{M}_*/\mathrm{M}_\odot)\lesssim11.8$) quiescent galaxies at $0.6\lesssim z\lesssim1.0$ from the Large Early Galaxy Astrophysics Census, derived using full-spectrum models. Typically, we find flat age and [Mg/Fe] gradients, and negative [Fe/H] gradients, implying iron-rich cores. We also estimate intrinsic [Fe/H] gradients via forward modelling. We examine the observed gradients in three age bins. Younger quiescent galaxies typically have negative [Fe/H] gradients and positive age gradients, possibly indicating a recent central starburst. Additionally, this finding suggests that photometrically measured flat colour gradients in young quiescent galaxies are the result of the positive age and negative metallicity gradients cancelling each other. For older quiescent galaxies, the age gradients become flat and [Fe/H] gradients weaken, though remain negative. Thus, negative colour gradients at older ages are likely driven by metallicity gradients. The diminishing age gradient may result from the starburst fading. Furthermore, the persistence of the [Fe/H] gradients may suggest that the outskirts are simultaneously built up by mergers with lower metallicity satellites. On the other hand, the gradients could be inherited from the star-forming phase, in which case mergers may not be needed to explain our findings. This work illustrates the need for resolved spectroscopy, instead of just photometry, to measure stellar population gradients. Extending these measurements to higher redshift is imperative for understanding how stellar populations in quiescent galaxies are assembled over cosmic time., Comment: Accepted for publication in MNRAS; minor typesetting corrections after copyediting

Federated Learning (FL) exposes vulnerabilities to targeted poisoning attacks that aim to cause misclassification specifically from the source class to the target class. However, using well-established defense frameworks, the poisoning impact of these attacks can be greatly mitigated. We introduce a generalized pre-training stage approach to Boost Targeted Poisoning Attacks against FL, called BoTPA. Its design rationale is to leverage the model update contributions of all data points, including ones outside of the source and target classes, to construct an Amplifier set, in which we falsify the data labels before the FL training process, as a means to boost attacks. We comprehensively evaluate the effectiveness and compatibility of BoTPA on various targeted poisoning attacks. Under data poisoning attacks, our evaluations reveal that BoTPA can achieve a median Relative Increase in Attack Success Rate (RI-ASR) between 15.3% and 36.9% across all possible source-target class combinations, with varying percentages of malicious clients, compared to its baseline. In the context of model poisoning, BoTPA attains RI-ASRs ranging from 13.3% to 94.7% in the presence of the Krum and Multi-Krum defenses, from 2.6% to 49.2% under the Median defense, and from 2.9% to 63.5% under the Flame defense.

Coronal mass ejections (CMEs) are large-scale ejections of magnetized plasma from the Sun and are associated with the most extreme space weather events. The geoeffectiveness of a CME is primarily determined by the southward component of its magnetic fields (CME-$B_z$). Recent studies have shown that CMEs evolve significantly in the inner heliosphere ($\sim20-90\ R_\odot$), and relying on extrapolations from low coronal heights can lead to wrong predictions of CME-$B_z$ in the vicinity of Earth. Hence, it is important to measure CME magnetic fields at these heights to improve CME-$B_z$ prediction. A promising method to measure the CME-entrained magnetic field in the inner heliosphere is by measuring the changes in Faraday rotation (FR) of linearly polarized emission from background radio sources as their line-of-sight crosses the CME plasma. Here, we present the current preparation of new-generation ground-based radio telescopes for this purpose., Comment: 6 pages, 2 figures, 1 table. Submitted for IAUS 388 Conference proceedings