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Distributed massive MIMO is considered a key advancement for improving the performance of next-generation wireless telecommunication systems. However, its efficacy in scenarios involving user mobility is limited due to channel aging. To address this challenge, channel prediction techniques are investigated to forecast future channel state information (CSI) based on previous estimates. We propose a new channel prediction method based on channel charting, a self-supervised learning technique that reconstructs a physically meaningful latent representation of the radio environment using similarity relationships between CSI samples. The concept of inertia within a channel chart allows for predictive radio resource management tasks through the latent space. We demonstrate that channel charting can be used to predict future CSI by exploiting spatial relationships between known estimates that are embedded in the channel chart. Our method is validated on a real-world distributed massive MIMO dataset, and compared to a Wiener predictor and the outdated CSI in terms of achievable sum rate.

Recent advances in high-precision spectroscopy of highly charged ions necessitate an understanding of energy shifts of ionic levels caused by external electric and magnetic fields. Beyond the well-known Stark and linear Zeeman shifts, trapped ions may also exhibit quadratic Zeeman and electric quadrupole shifts. In this contribution, we present a systematic approach for the theoretical analysis of these shifts for arbitrary many-electron ions. Based on the derived expressions and making use of the multiconfigurational Dirac-Fock approach, we performed calculations of quadratic Zeeman shift coefficients and quadrupole moments for various ionic states in Ca$^{14+}$, Ni$^{12+}$ and Xe$^{q+}$ ions. These ions attract particular interest for ongoing and future experiments in optical clocks and tests of fundamental physics., Comment: 14 pages, 1 figure

This letter proposes a new approach for Inertial Measurement Unit (IMU) preintegration, a fundamental building block that can be leveraged in different optimization-based Inertial Navigation System (INS) localization solutions. Inspired by recent advancements in equivariant theory applied to biased INSs, we derive a discrete-time formulation of the IMU preintegration on $\mathbf{G}(3) \ltimes \mathfrak{g}(3)$, the tangent group of the inhomogeneous Galilean group $\mathbf{G}(3)$. We define a novel preintegration error that geometrically couples the navigation states and the bias leading to lower linearization error. Our method improves in consistency compared to existing preintegration approaches which treat IMU biases as a separate state-space. Extensive validation against state-of-the-art methods, both in simulation and with real-world IMU data, implementation in the Lie++ library, and open-sourcing of the code are provided.

The Quantum Approximate Optimization Algorithm (QAOA) is a variational quantum algorithm designed to solve combinatorial optimization problems. However, a key limitation of QAOA is that it is a "local algorithm," meaning it can only optimize over local properties of the graph for finite circuit depths. In this work, we present a new QAOA ansatz that introduces only one additional parameter to the standard ansatz, regardless of system size, allowing QAOA to "see" more of the graph at a given depth $p$. We achieve this by modifying the target graph to include additional $\alpha$-weighted edges, with $\alpha$ serving as a tunable parameter. This modified graph is then used to construct the phase operator and allows QAOA to explore a wider range of the graph's features for a smaller $p$. We derive a general formula for our new ansatz at $p=1$ and analytically show an improvement in the approximation ratio for cycle graphs. We also provide numerical experiments that demonstrate significant improvements in the approximation ratio for the Max-Cut problem over the standard QAOA ansatz for $p=1$ and $p=2$ on random regular graphs up to 16 nodes.

We propose the first method for water Cherenkov detectors to constrain GeV-scale dark matter (DM) below the solar evaporation mass. While previous efforts have highlighted the Sun and Earth as DM capture targets, we demonstrate that Jupiter is a viable target. Jupiter's unique characteristics, such as its lower core temperature and significant gravitational potential, allow it to capture and retain light DM more effectively than the Sun, particularly in the mass range below 4 GeV where direct detection sensitivity diminishes. Our calculations provide the first bounds on GeV-scale annihilating DM within Jupiter, showing that these bounds surpass current solar limits and direct detection results., Comment: 9 pages, 5 figures, 1 appendix

Recent AI advances have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural, sequence, alignment, and binding site data. Using the ImageBind framework, OneProt aligns the latent spaces of modality encoders along protein sequences. It demonstrates strong performance in retrieval tasks and surpasses state-of-the-art methods in various downstream tasks, including metal ion binding classification, gene-ontology annotation, and enzyme function prediction. This work expands multi-modal capabilities in protein models, paving the way for applications in drug discovery, biocatalytic reaction planning, and protein engineering., Comment: 28 pages, 15 figures, 7 tables

We study the challenge of predicting the time at which a competitor product, such as a novel high-capacity EV battery or a new car model, will be available to customers; as new information is obtained, this time-to-market estimate is revised. Our scenario is as follows: We assume that the product is under development at a Firm B, which is a competitor to Firm A; as they are in the same industry, Firm A has a relatively good understanding of the processes and steps required to produce the product. While Firm B tries to keep its activities hidden (think of stealth-mode for start-ups), Firm A is nevertheless able to gain periodic insights by observing what type of resources Firm B is using. We show how Firm A can build a model that predicts when Firm B will be ready to sell its product; the model leverages knowledge of the underlying processes and required resources to build a Parallel Discrete Simulation (PDES)-based process model that it then uses as a generative model to train a Hidden Markov Model (HMM). We study the question of how many resource observations Firm A requires in order to accurately assess the current state of development at Firm B. In order to gain general insights into the capabilities of this approach, we study the effect of different process graph densities, different densities of the resource-activity maps, etc., and also scaling properties as we increase the number resource counts. We find that in most cases, the HMM achieves a prediction accuracy of 70 to 80 percent after 20 (daily) observations of a production process that lasts 150 days on average and we characterize the effects of different problem instance densities on this prediction accuracy. Our results give insight into the level of market knowledge required for accurate and early time-to-market prediction.

Quantum computing presents a promising avenue for solving complex problems, particularly in quantum chemistry, where it could accelerate the computation of molecular properties and excited states. This work focuses on hybrid quantum-classical algorithms for near-term quantum devices, combining the quantum linear response (qLR) method with a polarizable embedding (PE) environment. We employ the self-consistent operator manifold of quantum linear response (q-sc-LR) on top of a unitary coupled cluster (UCC) wave function in combination with a Davidson solver. The latter removes the need to construct the entire electronic Hessian, improving computational efficiency when going towards larger molecules. We introduce a new superposition-state-based technique to compute Hessian-vector products and show that this approach is more resilient towards noise than our earlier gradient-based approach. We demonstrate the performance of the PE-UCCSD model on systems such as butadiene and para-nitroaniline in water and find that PE-UCCSD delivers comparable accuracy to classical PE-CCSD methods on such simple closed-shell systems. We also explore the challenges posed by hardware noise and propose simple error correction techniques to maintain accurate results on noisy quantum computers., Comment: 36 pages, 4 figures

Recently, Van Hoeve proposed an algorithm for graph coloring based on an integer flow formulation on decision diagrams for stable sets. We prove that the solution to the linear flow relaxation on exact decision diagrams determines the fractional chromatic number of a graph. This settles the question whether the decision diagram formulation or the fractional chromatic number establishes a stronger lower bound. It also establishes that the integrality gap of the linear programming relaxation is O(log n), where n represents the number of vertices in the graph. We also conduct experiments using exact decision diagrams and could determine the chromatic number of r1000.1c from the DIMACS benchmark set. It was previously unknown and is one of the few newly solved DIMACS instances in the last 10 years., Comment: 11 pages, 1 Figure, 1 Table, source code published at https://github.com/trewes/ddcolors, Scripts, logfiles, results and instructions for the experiments are archived at https://bonndata.uni-bonn.de/dataset.xhtml?persistentId=doi:10.60507/FK2/ZE9C3L

We build a time-causal variational autoencoder (TC-VAE) for robust generation of financial time series data. Our approach imposes a causality constraint on the encoder and decoder networks, ensuring a causal transport from the real market time series to the fake generated time series. Specifically, we prove that the TC-VAE loss provides an upper bound on the causal Wasserstein distance between market distributions and generated distributions. Consequently, the TC-VAE loss controls the discrepancy between optimal values of various dynamic stochastic optimization problems under real and generated distributions. To further enhance the model's ability to approximate the latent representation of the real market distribution, we integrate a RealNVP prior into the TC-VAE framework. Finally, extensive numerical experiments show that TC-VAE achieves promising results on both synthetic and real market data. This is done by comparing real and generated distributions according to various statistical distances, demonstrating the effectiveness of the generated data for downstream financial optimization tasks, as well as showcasing that the generated data reproduces stylized facts of real financial market data.

The Bethe-Hessian matrix, introduced by Saade, Krzakala, and Zdeborov\'a (2014), is a Hermitian matrix designed for applying spectral clustering algorithms to sparse networks. Rather than employing a non-symmetric and high-dimensional non-backtracking operator, a spectral method based on the Bethe-Hessian matrix is conjectured to also reach the Kesten-Stigum detection threshold in the sparse stochastic block model (SBM). We provide the first rigorous analysis of the Bethe-Hessian spectral method in the SBM under both the bounded expected degree and the growing degree regimes. Specifically, we demonstrate that: (i) When the expected degree $d\geq 2$, the number of negative outliers of the Bethe-Hessian matrix can consistently estimate the number of blocks above the Kesten-Stigum threshold, thus confirming a conjecture from Saade, Krzakala, and Zdeborov\'a (2014) for $d\geq 2$. (ii) For sufficiently large $d$, its eigenvectors can be used to achieve weak recovery. (iii) As $d\to\infty$, we establish the concentration of the locations of its negative outlier eigenvalues, and weak consistency can be achieved via a spectral method based on the Bethe-Hessian matrix., Comment: 30 pages, 1 figure

An unintended consequence of the vast pretraining of Large Language Models (LLMs) is the verbatim memorization of fragments of their training data, which may contain sensitive or copyrighted information. In recent years, unlearning has emerged as a solution to effectively remove sensitive knowledge from models after training. Yet, recent work has shown that supposedly deleted information can still be extracted by malicious actors through various attacks. Still, current attacks retrieve sets of possible candidate generations and are unable to pinpoint the output that contains the actual target information. We propose activation steering as a method for exact information retrieval from unlearned LLMs. We introduce a novel approach to generating steering vectors, named Anonymized Activation Steering. Additionally, we develop a simple word frequency method to pinpoint the correct answer among a set of candidates when retrieving unlearned information. Our evaluation across multiple unlearning techniques and datasets demonstrates that activation steering successfully recovers general knowledge (e.g., widely known fictional characters) while revealing limitations in retrieving specific information (e.g., details about non-public individuals). Overall, our results demonstrate that exact information retrieval from unlearned models is possible, highlighting a severe vulnerability of current unlearning techniques., Comment: Accepted at NeurIPS 2024 Workshop Safe Generative AI

Hard-core bosons (HCB) in one dimension are predicted to show surprisingly interesting dynamics after a quantum quench. Far from equilibrium, quasi-condensation at finite momenta has been observed in numerical studies, while the equilibrium state at late times is expected to violate conventional thermodynamics. The integrability of the model supposedly constraints the momentum distribution to approach a generalized Gibbs ensemble. The experimental observation of these phenomena has proven non-trivial, as optical lattice platforms do not directly access the momentum distribution. NISQ devices overcome this limitation. We use circuit compression in order to simulate dynamics to arbitrarily long times with negligible Trotter-error on IBMQ and directly observe quasi-condensation. Coherence is maintained across all time scales as indicated by the lowest natural orbitals. The equilibrium distribution at late times is seemingly well described by a Gibbs ensemble, indicating that small but finite systematic errors perturb the hard-core boson model away from integrability. We demonstrate that quantum simulation provides observational access to HCB physics.

The Lusternik-Schnirelmann category of a space was introduced to obtain a lower bound on the number of critical points of a $C^1$-function on a given manifold. Related to Lusternik-Schnirelmann category and motivated by topological robotics, the topological complexity (TC) of a space is a numerical homotopy invariant whose topological properties are an active field of research. The notions of sequential and parametrized topological complexity extend the ideas of topological complexity. While the definition of TC is closely related to Lusternik-Schnirelmann category, the connections of sequential and parametrized TC to critical point theory have not been fully explored yet. In this article we apply methods from Lusternik-Schnirelmann theory to establish various lower bounds on numbers of critical points of functions in terms of sequential and parametrized TCs. We carry out several consequences and applications of these bounds, among them a computation of the parametrized TC of the unit tangent bundles of $(4m-1)$-spheres., Comment: 40 pages

This article introduces a groundbreaking analytical workflow designed for the holistic characterisation, modelling and physical simulation of device heterostructures. Our innovative workflow autonomously, comprehensively and locally characterises the crystallographic information and 3D orientation of the crystal phases, the elemental composition, and the strain maps of devices from (scanning) transmission electron microscopy data. It converts a manual characterisation process that traditionally takes days into an automatic routine completed in minutes. This is achieved through a physics-guided artificial intelligence model that combines unsupervised and supervised machine learning in a modular way to provide a representative 3D description of the devices, materials structures, or samples under analysis. To culminate the process, we integrate the extracted knowledge to automate the generation of both 3D finite element and atomic models of millions of atoms acting as digital twins, enabling simulations that yield essential physical and chemical insights crucial for understanding the device's behaviour in practical applications. We prove this end-to-end workflow with a state-of-the-art materials platform based on SiGe planar heterostructures for hosting coherent and scalable spin qubits. Our workflow connects representative digital twins of the experimental devices with their theoretical properties to reveal the true impact that every atom in the structure has on their electronic properties, and eventually, into their functional quantum performance. Notably, the versatility of our workflow is demonstrated through its successful application to a wide array of materials systems, device configurations and sample morphologies.

The reported discovery of a cold ($\sim$10$^4~\text{K}$) disc-like structure around the super-massive black hole at the centre of the Milk Way, Sagittarius A* (Sgr A*), has challenged our understanding of the gas dynamics and thermodynamic state of the plasma in its immediate vicinity. State-of-the-art simulations do not agree on whether or not such a disc can indeed be a product of the multiple stellar wind interactions of the mass-losing stars in the region. This study aims to constrain the conditions for the formation of a cold disc as a natural outcome of the system of the mass-losing stars orbiting around Sgr A*, to investigate if the disc is a transient or long-lasting structure, and to assess the validity of the model through direct comparisons with observations. We conduct a set of hydrodynamic simulations of the observed Wolf-Rayet (WR) stars feeding Sgr A* using the finite-volume adaptive mesh-refinement code Ramses. We focus, for the first time, on the impact of the chemical composition of the plasma emanating from the WR stars. The simulations show that the chemical composition of the plasma affects the radiative cooling enough to impact the properties of the medium such as density and temperature and, as a consequence, the rate at which the material inflows onto Sgr A*. We demonstrated that the formation of a cold disc from the stellar winds is possible for certain chemical compositions that are consistent with the current observational constraints. However, even in such a case, it is not possible to reproduce the reported properties of the observed disc-like structure, namely its inclination and hydrogen recombination line fluxes. We conclude that the stellar winds on their own cannot form the cold disc around Sgr A* inferred from the observations. Either relevant ingredients are still missing in the model, or the interpretation of the observed data needs to be revised., Comment: Submitted to A&A, 17 pages, 11 figures (+2 pages, +2 figures in Appendix)

The standard understanding of topological protection from band theory is that a system's topology cannot change without first closing the bulk band gap. However, in Floquet systems, this typical definition of topological protection is one step removed from the experimentally accessible system parameters, as the relationship between the disorder in a system's instantaneous Hamiltonian and its Floquet Hamiltonian that defines its topology is not straightforward. Here, we demonstrate that the spectral localizer framework for classifying material topology can be applied to Floquet systems and prove that its associated measure of topological protection can be understood in terms of the integrated disorder across the system's instantaneous Hamiltonians. As such, we have derived a quantitative bound on a Floquet system's topological protection in terms of the instantaneous system. Moreover, we show the utility of these bounds in both ordinary an anomalous Floquet Chern insulators., Comment: 6 pages, 4 figures

To alleviate the suboptimal performance of belief propagation (BP) decoding of short low-density parity-check (LDPC) codes, a plethora of improved decoding algorithms has been proposed over the last two decades. Many of these methods can be described using the same general framework, which we call ensemble decoding: A set of independent constituent decoders works in parallel on the received sequence, each proposing a codeword candidate. From this list, the maximum likelihood (ML) decision is designated as the decoder output. In this paper, we qualitatively and quantitatively compare different realizations of the ensemble decoder, namely multiple-bases belief propagation (MBBP), automorphism ensemble decoding (AED), scheduling ensemble decoding (SED), noise-aided ensemble decoding (NED) and saturated belief propagation (SBP). While all algorithms can provide gains over traditional BP decoding, ensemble methods that exploit the code structure, such as MBBP and AED, typically show greater performance improvements., Comment: 6 pages, 7 figures, submitted to IEEE for possible publication

In this paper, we propose a data-driven algorithm to design rate- and length-flexible polar codes. While the algorithm is very general, a particularly appealing use case is the design of codes for automorphism ensemble decoding (AED), a promising decoding algorithm for ultra-reliable low-latency communications (URLLC) and massive machine-type communications (mMTC) applications. To this end, theoretic results on nesting of symmetric polar codes are derived, which give hope in finding a fully nested, rate-compatible sequence suitable for AED. Using the proposed algorithms, such a flexible polar code design for automorphism ensemble successive cancellation (SC) decoding is constructed, outperforming existing code designs for AED and also the 5G polar code under cyclic redundancy check (CRC)-aided successive cancellation list (SCL) decoding., Comment: 6 pages, 2 figures, submitted to IEEE for possible publication

We consider games played on the transition graph of concurrent programs running under the Total Store Order (TSO) weak memory model. Games are frequently used to model the interaction between a system and its environment, in this case between the concurrent processes and the nondeterministic TSO buffer updates. In our formulation, the game is played by two players, who alternatingly make a move: The process player can execute any enabled instruction of the processes, while the update player takes care of updating the messages in the buffers that are between each process and the shared memory. We show that the reachability and safety problem of this game reduce to the analysis of single-process (non-concurrent) programs. In particular, they exhibit only finite-state behaviour. Because of this, we introduce different notions of fairness, which force the two players to behave in a more realistic way. Both the reachability and safety problem then become undecidable., Comment: In Proceedings GandALF 2024, arXiv:2410.21884

We extend the generalized Khovanov bracket to smooth link cobordisms in $\mathbb{R}^3\times I$ and prove that the resulting theory is functorial up to global invertible scalars. The generalized Khovanov bracket can be specialized to both even and odd Khovanov homology. Particularly by setting $\pi=-1$, we obtain that odd Khovanov homology is functorial up to sign. We end by showing that odd Khovanov homology is not functorial under smooth link cobordisms in $S^3\times I$., Comment: 51 pages, many figures in black and white

In the last years there has been a growing interest in the study of learning problems associated with algebraic structures. The framework we use models the scenario in which a learner is given larger and larger fragments of a structure from a given target family and is required to output an hypothesis about the structure's isomorphism type. So far researchers focused on $\mathbf{Ex}$-learning, in which the learner is asked to eventually stabilize to the correct hypothesis, and on restrictions where the learner is allowed to change the hypothesis a fixed number of times. Yet, other learning paradigms coming from classical algorithmic learning theory remained unexplored. We study the "learning power" of such criteria, comparing them via descriptive-set-theoretic tools thanks to the novel notion of $E$-learnability. The main outcome of this paper is that such criteria admit natural syntactic characterizations in terms of infinitary formulas analogous to the one given for $\mathbf{Ex}$-learning in [6]. Such characterizations give a powerful method to understand whether a family of structure is learnable with respect to the desired criterion.

We formulate a precise tradeoff relation between correlation and disturbance in a sequential quantum measurement setup. This relation, examined for qubit case, highlights key symmetry properties useful for the robust estimation and characterization of measurement parameters in the presence of local unitary noise, or in scenarios lacking shared reference frames. In addition, we report on the experimental implementation of the proposal in a neutron optical experiment, which proved particularly valuable for calibrating and optimizing measurement devices as confirmed by the theoretical result., Comment: 5+6 pages, 7 figures

In this study, we investigate the ISS of impulsive switched systems that have modes with both stable and unstable flows. We assume that the switching signal satisfies mode-dependent average dwell and leave time conditions. To establish ISS conditions, we propose two types of time-varying ISS-Lyapunov functions: one that is non-decreasing and another one that is decreasing. Our research proves that the existence of either of these ISS-Lyapunov functions is a necessary and sufficient condition for ISS. We also present a technique for constructing a decreasing ISS-Lyapunov function from a non-decreasing one, which is useful for its own sake. Our findings also have added value to previous research that only studied sufficient conditions for ISS, as our results apply to a broader class of systems. This is because we impose less restrictive dwell and leave time constraints on the switching signal and our ISS-Lyapunov functions are time-varying with general nonlinear conditions imposed on them. Moreover, we provide a method to guarantee the ISS of a particular class of impulsive switched systems when the switching signal is unknown.

Point processes model the distribution of random point sets in mathematical spaces, such as spatial and temporal domains, with applications in fields like seismology, neuroscience, and economics. Existing statistical and machine learning models for point processes are predominantly constrained by their reliance on the characteristic intensity function, introducing an inherent trade-off between efficiency and flexibility. In this paper, we introduce Point Set Diffusion, a diffusion-based latent variable model that can represent arbitrary point processes on general metric spaces without relying on the intensity function. By directly learning to stochastically interpolate between noise and data point sets, our approach enables efficient, parallel sampling and flexible generation for complex conditional tasks defined on the metric space. Experiments on synthetic and real-world datasets demonstrate that Point Set Diffusion achieves state-of-the-art performance in unconditional and conditional generation of spatial and spatiotemporal point processes while providing up to orders of magnitude faster sampling than autoregressive baselines.

Predicting low-energy molecular conformations given a molecular graph is an important but challenging task in computational drug discovery. Existing state-of-the-art approaches either resort to large scale transformer-based models that diffuse over conformer fields, or use computationally expensive methods to generate initial structures and diffuse over torsion angles. In this work, we introduce Equivariant Transformer Flow (ET-Flow). We showcase that a well-designed flow matching approach with equivariance and harmonic prior alleviates the need for complex internal geometry calculations and large architectures, contrary to the prevailing methods in the field. Our approach results in a straightforward and scalable method that directly operates on all-atom coordinates with minimal assumptions. With the advantages of equivariance and flow matching, ET-Flow significantly increases the precision and physical validity of the generated conformers, while being a lighter model and faster at inference. Code is available https://github.com/shenoynikhil/ETFlow., Comment: NeurIPS 2024

Understanding collaboration patterns in introductory programming courses is essential, as teamwork is a critical skill in computer science. In professional environments, software development relies on effective teamwork, navigating diverse perspectives, and contributing to shared goals. This paper offers a comprehensive analysis of the factors influencing team efficiency and project success, providing actionable insights to enhance the effectiveness of collaborative programming education. By analyzing version control data, survey responses, and performance metrics, the study highlights the collaboration trends that emerge as first-semester students develop a 2D game project. Results indicate that students often slightly overestimate their contributions, with more engaged individuals more likely to acknowledge mistakes. Team performance shows no significant variation based on nationality or gender composition, though teams that disbanded frequently consisted of lone wolves, highlighting collaboration challenges and the need for strengthened teamwork skills. Presentations closely reflected individual project contributions, with active students excelling in evaluative questioning and performing better on the final exam. Additionally, the complete absence of plagiarism underscores the effectiveness of proactive academic integrity measures, reinforcing honest collaboration in educational settings., Comment: The final version accepted at the conference IEEE International Conference on IT in Higher Education and Training (ITHET 2025)

Efficiently estimating energy expectation values of lattice Hamiltonians on quantum computers is a serious challenge, where established techniques can require excessive sample numbers. Here we introduce geometric partitioning as a scalable alternative. It splits the Hamiltonian into subsystems that extend over multiple lattice sites, for which transformations between their local eigenbasis and the computational basis can be efficiently found. This allows us to reduce the number of measurements as we sample from a more concentrated distribution without diagonalizing the problem. For systems in an energy eigenstate, we prove a lower bound on the sampling number improvement over the "naive" mutually commuting local operator grouping, which grows with the considered subsystem size, consistently showing an advantage for our geometric partitioning strategy. Notably, our lower bounds do not decrease but increase for more correlated states (Theorem 1). For states that are weakly isotropically perturbed around an eigenstate, we show how the sampling number improvement translates to imperfect eigenstate improvements, namely measuring close to the true eigenbasis already for smaller perturbations (Theorem 2). We illustrate our findings on multiple two-dimensional lattice models incl. the transverse field XY- and Ising model as well as the Fermi Hubbard model., Comment: 17 + 12 pages, 5 + 0 figures

Magnet-superconductor hybrid (MSH) systems have recently emerged as one of the most significant developments in condensed matter physics. This has generated, in the last decade, a steadily rising interest in the understanding of their unique properties. They have been proposed as one of the most promising platforms for the establishment of topological superconductivity, which holds high potential for application in future quantum information technologies. Scanning tunneling microscopy (STM) and spectroscopy (STS) plays a crucial role in the race to unveil the fundamental origin of the unique properties of MSH systems, with the aim to discover new hybrid quantum materials capable of hosting topologically non-trivial unconventional superconducting phases. In particular, the combination of STM studies with tight-binding model calculations have represented, so far, the most successful approach to unveil and explain the emergent electronic properties of MSHs. The scope of this review is to offer a broad perspective on the field of MSHs from an atomic-level investigation point-of-view. The focus is on discussing the link between the magnetic ground state hosted by the hybrid system and the corresponding emergent superconducting phase. This is done for MSHs with both one-dimensional (atomic chains) and two-dimensional (atomic lattices and thin films) magnetic systems proximitized to conventional s-wave superconductors. We present a systematic categorization of the experimentally investigated systems with respect to defined experimentally accessible criteria to verify or falsify the presence of topological superconductivity and Majorana edge modes. Given the vast number of publications on the topic, we limit ourselves to discuss works which are most relevant to the search for topological superconductivity., Comment: Invited review article to appear in La Rivista del Nuovo Cimento

Pre-trained large language models (LLMs) have been reliably integrated with visual input for multimodal tasks. The widespread adoption of instruction-tuned image-to-text vision-language assistants (VLAs) like LLaVA and InternVL necessitates evaluating gender biases. We study gender bias in 22 popular open-source VLAs with respect to personality traits, skills, and occupations. Our results show that VLAs replicate human biases likely present in the data, such as real-world occupational imbalances. Similarly, they tend to attribute more skills and positive personality traits to women than to men, and we see a consistent tendency to associate negative personality traits with men. To eliminate the gender bias in these models, we find that finetuning-based debiasing methods achieve the best tradeoff between debiasing and retaining performance on downstream tasks. We argue for pre-deploying gender bias assessment in VLAs and motivate further development of debiasing strategies to ensure equitable societal outcomes.

Heap-based exploits that leverage memory management errors continue to pose a significant threat to application security. The root cause of these vulnerabilities are the memory management errors within the applications, however various hardened allocator designs have been proposed as mitigation. A common feature of these designs is the strategic decision to store heap metadata separately from the application data in use, thereby reducing the risk of metadata corruption leading to security breaches. Despite their potential benefits, hardened allocators have not been widely adopted in real-world applications. The primary barrier to their adoption is the performance overheads they introduce. These overheads can negatively impact the efficiency and speed of applications, which is a critical consideration for developers and system administrators. Having learned from previous implementations, we developed SJMalloc, a general-purpose, high-performance allocator that addresses these concerns. SJMalloc stores its metadata out-of-band, away from the application's data on the heap. This design choice not only enhances security but also improves performance. Across a variety of real-world workloads, SJMalloc demonstrates a ~6% performance improvement compared to GLibcs allocator, while using only ~5% more memory. Furthermore, SJMalloc successfully passes the generic elements of the GLibc malloc testsuite and can thus be used as a drop-in replacement for the standard allocator, offering an easy upgrade path for enhanced security and performance without requiring changes to existing applications.

Research software is an import output of research and must be published according to the FAIR Principles for Research Software. This can be achieved by publishing software with metadata under a persistent identifier. HERMES is a tool that leverages continuous integration to automate the publication of software with rich metadata. In this work, we describe the HERMES workflow itself, and how to extend it to meet the needs of specific research software metadata or infrastructure. We introduce the HERMES plugin architecture and provide the example of creating a new HERMES plugin that harvests metadata from a metadata source in source code repositories. We show how to use HERMES as an end user, both via the command line interface, and as a step in a continuous integration pipeline. Finally, we report three informal case studies whose results provide a preliminary evaluation of the feasibility and applicability of HERMES workflows, and the extensibility of the hermes software package., Comment: 17 pages, 2 figures, 2 tables, submitted to a special issue of Electronic Communications of the EASST collecting submissions of deRSE24, Conference for Research Software Engineers

Understanding non-human primate behavior is crucial for improving animal welfare, modeling social behavior, and gaining insights into both distinctly human and shared behaviors. Despite recent advances in computer vision, automated analysis of primate behavior remains challenging due to the complexity of their social interactions and the lack of specialized algorithms. Existing methods often struggle with the nuanced behaviors and frequent occlusions characteristic of primate social dynamics. This study aims to develop an effective method for automated detection, tracking, and recognition of chimpanzee behaviors in video footage. Here we show that our proposed method, AlphaChimp, an end-to-end approach that simultaneously detects chimpanzee positions and estimates behavior categories from videos, significantly outperforms existing methods in behavior recognition. AlphaChimp achieves approximately 10% higher tracking accuracy and a 20% improvement in behavior recognition compared to state-of-the-art methods, particularly excelling in the recognition of social behaviors. This superior performance stems from AlphaChimp's innovative architecture, which integrates temporal feature fusion with a Transformer-based self-attention mechanism, enabling more effective capture and interpretation of complex social interactions among chimpanzees. Our approach bridges the gap between computer vision and primatology, enhancing technical capabilities and deepening our understanding of primate communication and sociality. We release our code and models and hope this will facilitate future research in animal social dynamics. This work contributes to ethology, cognitive science, and artificial intelligence, offering new perspectives on social intelligence., Comment: An eXpressive extension of ChimpACT [arXiv:2310.16447], proposes AlphaChimp for tracking and behavior recognition of chimpanzees. arXiv admin note: substantial text overlap with arXiv:2310.16447

Many applications in traffic, civil engineering, or electrical engineering revolve around edge-level signals. Such signals can be categorized as inherently directed, for example, the water flow in a pipe network, and undirected, like the diameter of a pipe. Topological methods model edge signals with inherent direction by representing them relative to a so-called orientation assigned to each edge. These approaches can neither model undirected edge signals nor distinguish if an edge itself is directed or undirected. We address these shortcomings by (i) revising the notion of orientation equivariance to enable edge direction-aware topological models, (ii) proposing orientation invariance as an additional requirement to describe signals without inherent direction, and (iii) developing EIGN, an architecture composed of novel direction-aware edge-level graph shift operators, that provably fulfills the aforementioned desiderata. It is the first general-purpose topological GNN for edge-level signals that can model directed and undirected signals while distinguishing between directed and undirected edges. A comprehensive evaluation shows that EIGN outperforms prior work in edge-level tasks, for example, improving in RMSE on flow simulation tasks by up to 43.5%.

This paper explores the integration of advanced cryptographic techniques for secure computation in data spaces to enable secure and trusted data sharing, which is essential for the evolving data economy. In addition, the paper examines the role of data intermediaries, as outlined in the EU Data Governance Act, in data spaces and specifically introduces the idea of trustless intermediaries that do not have access to their users' data. Therefore, we exploit the introduced secure computation methods, i.e. Secure Multi-Party Computation (MPC) and Fully Homomorphic Encryption (FHE), and discuss the security benefits. Overall, we identify and address key challenges for integration, focusing on areas such as identity management, policy enforcement, node selection, and access control, and present solutions through real-world use cases, including air traffic management, manufacturing, and secondary data use. Furthermore, through the analysis of practical applications, this work proposes a comprehensive framework for the implementation and standardization of secure computing technologies in dynamic, trustless data environments, paving the way for future research and development of a secure and interoperable data ecosystem.

We present the experimental apparatus enabling the observation of the heteronuclear Efimov effect in an optically trapped ultracold mixture of $^6$Li-$^{133}$Cs with high-resolution control of the interactions. A compact double-species Zeeman slower consisting of four interleaving helical coils allows for a fast-switching between two optimized configurations for either Li or Cs and provides an efficient sequential loading into their respective MOTs. By means of a bichromatic optical trapping scheme based on species-selective trapping we prepare mixtures down to 100 nK of 1$\times$ 10$^4$ Cs atoms and 7$\times$ 10$^3$ Li atoms. Highly stable magnetic fields allow high-resolution atom-loss spectroscopy and enable to resolve splitting in the loss feature of a few tens of milligauss. These features allowed for a detailed study of the Efimov effect.

When analyzing the individual positional dynamics of an ensemble of moving objects, the extracted parameters that characterize the motion of individual objects, such as the mean-squared instantaneous velocity or the diffusivity, exhibit a spread that is due to the convolution of three different effects: i) Motion stochasticity, caused by the fluctuating environment and enhanced by limited observation time, ii) measurement errors that depend on details of the detection technique, and iii) the intrinsic parameter variance that characterizes differences between individual objects, the quantity of ultimate interest. We develop the theoretical framework to separate these effects using the generalized Langevin equation (GLE), which constitutes the most general description of active and passive dynamics, as it derives from the general underlying many-body Hamiltonian for the studied system without approximations. We apply our methodology to determine intrinsic cell-to-cell differences of living human breast-cancer cells, algae cells and, as a benchmark, size differences of passively moving polystyrene beads in water. We find algae and human breast-cancer cells to exhibit significant individual differences, reflected by the spreading of the intrinsic mean-squared instantaneous velocity over two orders of magnitude, which is remarkable in light of the genetic homogeneity of the investigated breast-cancer cells and highlights their phenotypical diversity. Quantification of the intrinsic variance of single-cell properties is relevant for infection biology, ecology and medicine and opens up new possibilities to estimate population heterogeneity on the single-organism level in a non-destructive manner. Our framework is not limited to motility properties but can be readily applied to general experimental time-series data., Comment: 10 pages main text including 6 figures , 3pages methods, 15 pages supplementary information including 8 more figures

Diffusion models achieve state-of-the-art generation quality across many applications, but their ability to capture rare or extreme events in heavy-tailed distributions remains unclear. In this work, we show that traditional diffusion and flow-matching models with standard Gaussian priors fail to capture heavy-tailed behavior. We address this by repurposing the diffusion framework for heavy-tail estimation using multivariate Student-t distributions. We develop a tailored perturbation kernel and derive the denoising posterior based on the conditional Student-t distribution for the backward process. Inspired by $\gamma$-divergence for heavy-tailed distributions, we derive a training objective for heavy-tailed denoisers. The resulting framework introduces controllable tail generation using only a single scalar hyperparameter, making it easily tunable for diverse real-world distributions. As specific instantiations of our framework, we introduce t-EDM and t-Flow, extensions of existing diffusion and flow models that employ a Student-t prior. Remarkably, our approach is readily compatible with standard Gaussian diffusion models and requires only minimal code changes. Empirically, we show that our t-EDM and t-Flow outperform standard diffusion models in heavy-tail estimation on high-resolution weather datasets in which generating rare and extreme events is crucial., Comment: 51 pages, v2 Fixes typo and adds some more recent work

Novel optical imaging techniques, such as hyperspectral imaging (HSI) combined with machine learning-based (ML) analysis, have the potential to revolutionize clinical surgical imaging. However, these novel modalities face a shortage of large-scale, representative clinical data for training ML algorithms, while preclinical animal data is abundantly available through standardized experiments and allows for controlled induction of pathological tissue states, which is not ethically possible in patients. To leverage this situation, we propose a novel concept called "xeno-learning", a cross-species knowledge transfer paradigm inspired by xeno-transplantation, where organs from a donor species are transplanted into a recipient species. Using a total of 11,268 HSI images from humans as well as porcine and rat models, we show that although spectral signatures of organs differ across species, shared pathophysiological mechanisms manifest as comparable relative spectral changes across species. Such changes learnt in one species can thus be transferred to a new species via a novel "physiology-based data augmentation" method, enabling the large-scale secondary use of preclinical animal data for humans. The resulting ethical, monetary, and performance benefits of the proposed knowledge transfer paradigm promise a high impact of the methodology on future developments in the field., Comment: Jan Sellner and Alexander Studier-Fischer contributed equally to this work

The distributed nature of cellular networks is one of the main enablers for integrated sensing and communication (ISAC). For target positioning and tracking, making use of bistatic measurements is non-trivial due to their non-linear relationship with Cartesian coordinates. Most of the literature proposes geometric-based methods to determine the target's location by solving a well-defined set of equations stemming from the available measurements. The error covariance to be used for Bayesian tracking is then derived from local Taylor expansions. In our work we adaptively fuse any subset of bistatic measurements using a maximum likelihood (ML) framework, allowing to incorporate every possible combination of available measurements, i.e., transmitter angle, receiver angle and bistatic range. Moreover, our ML approach is intrinsically flexible, as it can be extended to fuse an arbitrary number of measurements by multistatic setups. Finally, we propose both a fixed and dynamic way to compute the covariance matrix for the position error to be fed to Bayesian tracking techniques, like a Kalman filter. Numerical evaluations with realistic cellular communications parameters at mmWave frequencies show that our proposal outperforms the considered baselines, achieving a location and velocity root mean square error of 0.25 m and 0.83 m/s, respectively., Comment: 6 pages, 6 figures, 3 tables

Dermal interstitial fluid (ISF) is a rich source of biomarkers (e.g., glucose) that can be used for continuous health monitoring with wearable sensors. Hollow microneedle devices are a promising solution to extract ISF on demand by penetrating the skin with minimal pain. However, they rely on inserting bio-incompatible materials (e.g., silicon) into individuals, limiting the application time. Here, the direct 3D printing of polymer hollow microneedles on silicon-based microfluidic devices and the successful in-vivo extraction of ISF are demonstrated. Our additive manufacturing approach enables the versatile combination of materials and rapid prototyping of microneedle geometry. After improving the design through finite element modeling, a hollow microneedle geometry was printed by two-photon polymerization and experimentally characterized with mechanical and fluidic tests. Microneedles were fabricated with high accuracy (i.e., 997 +/- 2 um) and reliably interfaced with the microfluidic chip (i.e., centerline alignment within 5% of diameter). The needles demonstrated sufficient mechanical strength (i.e., 411 +/- 3 mN per needle) to endure at least 10 consecutive insertions into simulated skin. Biocompatibility and ISF extraction were demonstrated in an in-vivo 72-hour test, showing the safety and reliability of our approach. Such a platform is promising for minimally invasive, continuous monitoring of biomarkers in ISF, aiding in medical diagnoses and personalized health treatments.

Based on the analysis of a large number of high-fidelity nonlinear gyrokinetic simulations, we propose a novel strategy to improve confinement in tokamak plasmas by combining up-down asymmetric flux surface shaping with the Low Momentum Diffusivity (LMD) regime. We show that the intrinsic momentum flux driven by up-down asymmetry creates strong flow shear in the LMD regime that can significantly reduce energy transport, increasing the critical gradient by up to $25\%$. In contrast to traditional methods for generating flow shear, such as neutral beam injection, this approach requires no external momentum source and is expected to scale well to large fusion devices. The experimental applicability of this strategy in spherical tokamaks is addressed via simulations by considering actual equilibria from MAST and a preliminary equilibrium from SMART., Comment: 7 pages, 5 figures

Conformal prediction provides model-agnostic and distribution-free uncertainty quantification through prediction sets that are guaranteed to include the ground truth with any user-specified probability. Yet, conformal prediction is not reliable under poisoning attacks where adversaries manipulate both training and calibration data, which can significantly alter prediction sets in practice. As a solution, we propose reliable prediction sets (RPS): the first efficient method for constructing conformal prediction sets with provable reliability guarantees under poisoning. To ensure reliability under training poisoning, we introduce smoothed score functions that reliably aggregate predictions of classifiers trained on distinct partitions of the training data. To ensure reliability under calibration poisoning, we construct multiple prediction sets, each calibrated on distinct subsets of the calibration data. We then aggregate them into a majority prediction set, which includes a class only if it appears in a majority of the individual sets. Both proposed aggregations mitigate the influence of datapoints in the training and calibration data on the final prediction set. We experimentally validate our approach on image classification tasks, achieving strong reliability while maintaining utility and preserving coverage on clean data. Overall, our approach represents an important step towards more trustworthy uncertainty quantification in the presence of data poisoning.

While momentum-based optimization algorithms are commonly used in the notoriously non-convex optimization problems of deep learning, their analysis has historically been restricted to the convex and strongly convex setting. In this article, we partially close this gap between theory and practice and demonstrate that virtually identical guarantees can be obtained in optimization problems with a `benign' non-convexity. We show that these weaker geometric assumptions are well justified in overparametrized deep learning, at least locally. Variations of this result are obtained for a continuous time model of Nesterov's accelerated gradient descent algorithm (NAG), the classical discrete time version of NAG, and versions of NAG with stochastic gradient estimates with purely additive noise and with noise that exhibits both additive and multiplicative scaling.

The accuracy of density functional theory hinges on the approximation of non-local contributions to the exchange-correlation (XC) functional. To date, machine-learned and human-designed approximations suffer from insufficient accuracy, limited scalability, or dependence on costly reference data. To address these issues, we introduce Equivariant Graph Exchange Correlation (EG-XC), a novel non-local XC functional based on equivariant graph neural networks. EG-XC combines semi-local functionals with a non-local feature density parametrized by an equivariant nuclei-centered point cloud representation of the electron density to capture long-range interactions. By differentiating through a self-consistent field solver, we train EG-XC requiring only energy targets. In our empirical evaluation, we find EG-XC to accurately reconstruct `gold-standard' CCSD(T) energies on MD17. On out-of-distribution conformations of 3BPA, EG-XC reduces the relative MAE by 35% to 50%. Remarkably, EG-XC excels in data efficiency and molecular size extrapolation on QM9, matching force fields trained on 5 times more and larger molecules. On identical training sets, EG-XC yields on average 51% lower MAEs.

The longitudinal dynamics of an intense high energy beam moving in a resonator cavity has been studied in some detail. Through the method of separation of variables and its obvious straightforward generalization, a solution of the Vlasov equation for the distribution function of an intense charged particle beam in the longitudinal direction has been obtained. The thus found Bernstein-Greene-Kruskal (BGK) equilibrium has been utilized to construct stationary wave patterns in the special case when the velocity distribution (energy error distribution) is Maxwellian. These are cnoidal wave patterns, showing rather intriguing and in a sense unexpected analogy between the equilibrium wave patterns in an intense charged particle beam and similar wave clusters originally observed in shallow water. Based on the hydrodynamic model, fully equivalent to the coupled nonlinear system of the Vlasov equation for the distribution function of an intense beam in the longitudinal direction and the equation for the resonator cavity potential, an amplitude equation in the most general form has been derived. A very interesting and important property of the nonlinear amplitude equation is the fact that it is of hyperbolic type (nonlinear wave equation with complex coefficients) in the entire interval of admissible values for the wave number except for a single critical point, in which it is of parabolic type (non-linear Schrodinger equation with complex coefficients)., Comment: 11 pages, 3 figures

Impurities and random disorder are known to affect topological superconducting phases and their Majorana zero modes (MZMs). In particular, it is a common assumption that disorder negatively influences the braiding dynamics of MZMs. Recently, it was shown, however, that random disorder can also stabilize or even increase topological phases. Here, we investigate quantitatively how a single impurity can lead to braiding errors. We show that the impurity increases, in most scenarios, the dynamical hybridization of the MZMs, reducing the braiding performance. In addition, we show how random disorder, i.e., impurities on all lattice sites but with different strengths, affects braiding. As for the static case, we observe a window of opportunity where random disorder decreases the average energy of a braid, and thus improves braiding outcomes. This window of opportunity is, however, limited due to an increase of diabatic effects in the presence of disorder. Nevertheless and contrary to physical intuition, disorder can in certain situations be beneficial and improve braiding outcomes., Comment: 9 pages, 9 figures

In this study, we propose LLM agents as a novel approach in behavioral strategy research, complementing simulations and laboratory experiments to advance our understanding of cognitive processes in decision-making. Specifically, we reproduce a human laboratory experiment in behavioral strategy using large language model (LLM) generated agents and investigate how LLM agents compare to observed human behavior. Our results show that LLM agents effectively reproduce search behavior and decision-making comparable to humans. Extending our experiment, we analyze LLM agents' simulated "thoughts," discovering that more forward-looking thoughts correlate with favoring exploitation over exploration to maximize wealth. We show how this new approach can be leveraged in behavioral strategy research and address limitations.

In 1949, Zykov proposed the first explicit construction of triangle-free graphs with arbitrarily large chromatic number. We define a Zykov graph as any induced subgraph of a graph created using Zykov's construction. We give a structural characterization of Zykov graphs based on a specific type of stable set, that we call splitting stable set. It implies that recognizing this class is NP-complete, while being FPT in the treewidth of the input graph. We provide similar results for the Blanche Descartes construction.

Object-relative mobile robot navigation is essential for a variety of tasks, e.g. autonomous critical infrastructure inspection, but requires the capability to extract semantic information about the objects of interest from raw sensory data. While deep learning-based (DL) methods excel at inferring semantic object information from images, such as class and relative 6 degree of freedom (6-DoF) pose, they are computationally demanding and thus often not suitable for payload constrained mobile robots. In this letter we present a real-time capable unmanned aerial vehicle (UAV) system for object-relative, closed-loop navigation with a minimal sensor configuration consisting of an inertial measurement unit (IMU) and RGB camera. Utilizing a DL-based object pose estimator, solely trained on synthetic data and optimized for companion board deployment, the object-relative pose measurements are fused with the IMU data to perform object-relative localization. We conduct multiple real-world experiments to validate the performance of our system for the challenging use case of power pole inspection. An example closed-loop flight is presented in the supplementary video., Comment: Accepted for publication in the IEEE Robotics and Automation Letters (RA-L), 2024