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Feb 16

Theory of superconducting proximity effect in hole-based hybrid semiconductor-superconductor devices

Hybrid superconductor-semiconductor systems have received a great deal of attention in the last few years because of their potential for quantum engineering, including novel qubits and topological devices. The proximity effect, the process by which the semiconductor inherits superconducting correlations, is an essential physical mechanism of such hybrids. Recent experiments have demonstrated the proximity effect in hole-based semiconductors, but, in contrast to electrons, the precise mechanism by which the hole bands acquire superconducting correlations remains an open question. In addition, hole spins exhibit a complex strong spin-orbit interaction, with largely anisotropic responses to electric and magnetic fields, further motivating the importance of understanding the interplay between such effects and the proximity effect. In this work, we analyze this physics with focus on germanium-based two-dimensional gases. Specifically, we develop an effective theory supported by full numerics, allowing us to extract various analytical expressions and predict different types of superconducting correlations including non-standard forms of singlet and triplet pairing mechanisms with non-trivial momentum dependence; as well as different Zeeman and Rashba spin-orbit contributions. This, together with their precise dependence on electric and magnetic fields, allows us to make specific experimental predictions, including the emergence of f-type superconductivity, Bogoliubov Fermi surfaces, and gapless regimes caused by large in-plane magnetic fields.

  • 5 authors
·
Dec 30, 2024

A review of path following control strategies for autonomous robotic vehicles: theory, simulations, and experiments

This article presents an in-depth review of the topic of path following for autonomous robotic vehicles, with a specific focus on vehicle motion in two dimensional space (2D). From a control system standpoint, path following can be formulated as the problem of stabilizing a path following error system that describes the dynamics of position and possibly orientation errors of a vehicle with respect to a path, with the errors defined in an appropriate reference frame. In spite of the large variety of path following methods described in the literature we show that, in principle, most of them can be categorized in two groups: stabilization of the path following error system expressed either in the vehicle's body frame or in a frame attached to a "reference point" moving along the path, such as a Frenet-Serret (F-S) frame or a Parallel Transport (P-T) frame. With this observation, we provide a unified formulation that is simple but general enough to cover many methods available in the literature. We then discuss the advantages and disadvantages of each method, comparing them from the design and implementation standpoint. We further show experimental results of the path following methods obtained from field trials testing with under-actuated and fully-actuated autonomous marine vehicles. In addition, we introduce open-source Matlab and Gazebo/ROS simulation toolboxes that are helpful in testing path following methods prior to their integration in the combined guidance, navigation, and control systems of autonomous vehicles.

  • 9 authors
·
Apr 14, 2022

Mamba State-Space Models Are Lyapunov-Stable Learners

Mamba state-space models (SSMs) were recently shown to outperform state-of-the-art (SOTA) Transformer large language models (LLMs) across various tasks. Despite subsequent widespread adaptation, little work has focused on Mamba LLMs' amenability for fine-tuning frameworks ubiquitously used for Transformer-based LLMs, e.g., mixed-precision fine-tuning (MPFT) and parameter-efficient fine-tuning (PEFT). For the former, it currently remains an open question whether Mamba's recurrent dynamics are robust to small input changes, such as those encountered during MPFT. Using dynamical systems theory (in particular, Lyapunov exponents), we answer this question in the affirmative. We empirically validate this result through several experiments, showing that Mamba SSMs are significantly more stable to changes introduced by mixed-precision than comparable Transformers, even when both MPFT and PEFT are combined. For PEFT, we show how targeting specific memory buffers in Mamba's customized CUDA kernels for low-rank adaptation regularizes SSM parameters, thus providing both parameter efficient learning and computational savings. Finally, with both MPFT and PEFT enabled, we explore the impact of instruction tuning Mamba SSMs for in-context learning (ICL) on natural language tasks. While pretrained Mamba and Mamba-2 models only achieve 38% and 82% (respectively) of the ICL improvements of comparable Transformer-based LLMs, we show that instruction tuning allows Mamba models to narrow this gap to 81% and Mamba-2 models to skyrocket over this gap to 132%.

  • 3 authors
·
May 31, 2024

European Pulsar Timing Array Limits On An Isotropic Stochastic Gravitational-Wave Background

We present new limits on an isotropic stochastic gravitational-wave background (GWB) using a six pulsar dataset spanning 18 yr of observations from the 2015 European Pulsar Timing Array data release. Performing a Bayesian analysis, we fit simultaneously for the intrinsic noise parameters for each pulsar, along with common correlated signals including clock, and Solar System ephemeris errors, obtaining a robust 95% upper limit on the dimensionless strain amplitude A of the background of A<3.0times 10^{-15} at a reference frequency of 1yr^{-1} and a spectral index of 13/3, corresponding to a background from inspiralling super-massive black hole binaries, constraining the GW energy density to Omega_gw(f)h^2 < 1.1times10^{-9} at 2.8 nHz. We also present limits on the correlated power spectrum at a series of discrete frequencies, and show that our sensitivity to a fiducial isotropic GWB is highest at a frequency of sim 5times10^{-9}~Hz. Finally we discuss the implications of our analysis for the astrophysics of supermassive black hole binaries, and present 95% upper limits on the string tension, Gmu/c^2, characterising a background produced by a cosmic string network for a set of possible scenarios, and for a stochastic relic GWB. For a Nambu-Goto field theory cosmic string network, we set a limit Gmu/c^2<1.3times10^{-7}, identical to that set by the {\it Planck} Collaboration, when combining {\it Planck} and high-ell Cosmic Microwave Background data from other experiments. For a stochastic relic background we set a limit of Omega^relic_gw(f)h^2<1.2 times10^{-9}, a factor of 9 improvement over the most stringent limits previously set by a pulsar timing array.

  • 36 authors
·
Apr 14, 2015

Precision measurement of the last bound states in H$_2$ and determination of the H + H scattering length

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

  • 3 authors
·
Feb 3, 2025

ValUES: A Framework for Systematic Validation of Uncertainty Estimation in Semantic Segmentation

Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on the other hand, the field is currently hampered by a gap between theory and practice leaving fundamental questions unanswered: Can data-related and model-related uncertainty really be separated in practice? Which components of an uncertainty method are essential for real-world performance? Which uncertainty method works well for which application? In this work, we link this research gap to a lack of systematic and comprehensive evaluation of uncertainty methods. Specifically, we identify three key pitfalls in current literature and present an evaluation framework that bridges the research gap by providing 1) a controlled environment for studying data ambiguities as well as distribution shifts, 2) systematic ablations of relevant method components, and 3) test-beds for the five predominant uncertainty applications: OoD-detection, active learning, failure detection, calibration, and ambiguity modeling. Empirical results on simulated as well as real-world data demonstrate how the proposed framework is able to answer the predominant questions in the field revealing for instance that 1) separation of uncertainty types works on simulated data but does not necessarily translate to real-world data, 2) aggregation of scores is a crucial but currently neglected component of uncertainty methods, 3) While ensembles are performing most robustly across the different downstream tasks and settings, test-time augmentation often constitutes a light-weight alternative. Code is at: https://github.com/IML-DKFZ/values

  • 5 authors
·
Jan 16, 2024

CayleyPy Growth: Efficient growth computations and hundreds of new conjectures on Cayley graphs (Brief version)

This is the third paper of the CayleyPy project applying artificial intelligence to problems in group theory. We announce the first public release of CayleyPy, an open source Python library for computations with Cayley and Schreier graphs. Compared with systems such as GAP and Sage, CayleyPy handles much larger graphs and performs several orders of magnitude faster. Using CayleyPy we obtained about 200 new conjectures on Cayley and Schreier graphs, focused on diameters and growth. For many Cayley graphs of symmetric groups Sn we observe quasi polynomial diameter formulas: a small set of quadratic or linear polynomials indexed by n mod s. We conjecture that this is a general phenomenon, giving efficient diameter computation despite the problem being NP hard. We propose a refinement of the Babai type conjecture on diameters of Sn: n^2/2 + 4n upper bounds in the undirected case, compared to previous O(n^2) bounds. We also provide explicit generator families, related to involutions in a square with whiskers pattern, conjectured to maximize the diameter; search confirms this for all n up to 15. We further conjecture an answer to a question posed by V M Glushkov in 1968 on directed Cayley graphs generated by a cyclic shift and a transposition. For nilpotent groups we conjecture an improvement of J S Ellenberg's results on upper unitriangular matrices over Z/pZ, showing linear dependence of diameter on p. Moreover. Some conjectures are LLM friendly, naturally stated as sorting problems verifiable by algorithms or Python code. To benchmark path finding we created more than 10 Kaggle datasets. CayleyPy works with arbitrary permutation or matrix groups and includes over 100 predefined generators. Our growth computation code outperforms GAP and Sage up to 1000 times in speed and size.

  • 49 authors
·
Sep 23, 2025

DESI 2024 V: Full-Shape Galaxy Clustering from Galaxies and Quasars

We present the measurements and cosmological implications of the galaxy two-point clustering using over 4.7 million unique galaxy and quasar redshifts in the range 0.1<z<2.1 divided into six redshift bins over a sim 7,500 square degree footprint, from the first year of observations with the Dark Energy Spectroscopic Instrument (DESI Data Release 1). By fitting the full power spectrum, we extend previous DESI DR1 baryon acoustic oscillation (BAO) measurements to include redshift-space distortions and signals from the matter-radiation equality scale. For the first time, this Full-Shape analysis is blinded at the catalogue-level to avoid confirmation bias and the systematic errors are accounted for at the two-point clustering level, which automatically propagates them into any cosmological parameter. When analysing the data in terms of compressed model-agnostic variables, we obtain a combined precision of 4.7\% on the amplitude of the redshift space distortion signal reaching similar precision with just one year of DESI data than with 20 years of observation from previous generation surveys. We analyse the data to directly constrain the cosmological parameters within the LambdaCDM model using perturbation theory and combine this information with the reconstructed DESI DR1 galaxy BAO. Using a Big Bang Nucleosynthesis Gaussian prior on the baryon density parameter, and a Gaussian prior on the spectral index, we constrain the matter density is Omega_m=0.296pm 0.010 and the Hubble constant H_0=(68.63 pm 0.79)[{rm km, s^{-1}Mpc^{-1}}]. Additionally, we measure the amplitude of clustering sigma_8=0.841 pm 0.034. The DESI DR1 results are in agreement with the LambdaCDM model based on general relativity with parameters consistent with those from Planck. The cosmological interpretation of these results in combination with external datasets are presented in a companion paper.

  • 198 authors
·
Nov 18, 2024

OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

We present OrbNet Denali, a machine learning model for electronic structure that is designed as a drop-in replacement for ground-state density functional theory (DFT) energy calculations. The model is a message-passing neural network that uses symmetry-adapted atomic orbital features from a low-cost quantum calculation to predict the energy of a molecule. OrbNet Denali is trained on a vast dataset of 2.3 million DFT calculations on molecules and geometries. This dataset covers the most common elements in bio- and organic chemistry (H, Li, B, C, N, O, F, Na, Mg, Si, P, S, Cl, K, Ca, Br, I) as well as charged molecules. OrbNet Denali is demonstrated on several well-established benchmark datasets, and we find that it provides accuracy that is on par with modern DFT methods while offering a speedup of up to three orders of magnitude. For the GMTKN55 benchmark set, OrbNet Denali achieves WTMAD-1 and WTMAD-2 scores of 7.19 and 9.84, on par with modern DFT functionals. For several GMTKN55 subsets, which contain chemical problems that are not present in the training set, OrbNet Denali produces a mean absolute error comparable to those of DFT methods. For the Hutchison conformers benchmark set, OrbNet Denali has a median correlation coefficient of R^2=0.90 compared to the reference DLPNO-CCSD(T) calculation, and R^2=0.97 compared to the method used to generate the training data (wB97X-D3/def2-TZVP), exceeding the performance of any other method with a similar cost. Similarly, the model reaches chemical accuracy for non-covalent interactions in the S66x10 dataset. For torsional profiles, OrbNet Denali reproduces the torsion profiles of wB97X-D3/def2-TZVP with an average MAE of 0.12 kcal/mol for the potential energy surfaces of the diverse fragments in the TorsionNet500 dataset.

  • 11 authors
·
Jul 1, 2021

Causality and Renormalization in Finite-Time-Path Out-of-Equilibrium $φ^3$ QFT

Our aim is to contribute to quantum field theory (QFT) formalisms useful for descriptions of short time phenomena, dominant especially in heavy ion collisions. We formulate out-of-equilibrium QFT within the finite-time-path formalism (FTP) and renormalization theory (RT). The potential conflict of FTP and RT is investigated in g phi^3 QFT, by using the retarded/advanced (R/A) basis of Green functions and dimensional renormalization (DR). For example, vertices immediately after (in time) divergent self-energy loops do not conserve energy, as integrals diverge. We "repair" them, while keeping d<4, to obtain energy conservation at those vertices. Already in the S-matrix theory, the renormalized, finite part of Feynman self-energy Sigma_{F}(p_0) does not vanish when |p_0|rightarrowinfty and cannot be split to retarded and advanced parts. In the Glaser--Epstein approach, the causality is repaired in the composite object G_F(p_0)Sigma_{F}(p_0). In the FTP approach, after repairing the vertices, the corresponding composite objects are G_R(p_0)Sigma_{R}(p_0) and Sigma_{A}(p_0)G_A(p_0). In the limit drightarrow 4, one obtains causal QFT. The tadpole contribution splits into diverging and finite parts. The diverging, constant component is eliminated by the renormalization condition langle 0|phi|0rangle =0 of the S-matrix theory. The finite, oscillating energy-nonconserving tadpole contributions vanish in the limit trightarrow infty .

  • 2 authors
·
Dec 31, 2019

Rescaled Einstein-Gauss-Bonnet Gravity Inflation

We study the inflationary phenomenology of a rescaled Einstein-Gauss-Bonnet gravity. In this framework, the gravitational constant of the Einstein-Hilbert term is rescaled due to effective terms active in the high curvature era. Basically, the total theory is an F(R,G,phi) theory with the Gauss-Bonnet part contributing only a non-minimal coupling to the scalar field, so it is a theory with string theory origins and with a non-trivial F(R) gravity part. The F(R) gravity part in the high curvature regime contributes only a rescaled Einstein-Hilbert term and thus the resulting theory is effectively a rescaled version of a standard Einstein-Gauss-Bonnet theory. We develop the formalism of rescaled Einstein-Gauss-Bonnet gravity, taking in account the GW170817 constraints on the gravitational wave speed. We show explicitly how the rescaled theory affects directly the primordial scalar and tensor perturbations, and how the slow-roll and observational indices of inflation are affected by the rescaling of the theory. We perform a thorough phenomenological analysis of several models of interest and we show that is it possible to obtain viable inflationary theories compatible with the latest Planck data. Also among the studied models there are cases that yield a relatively large blue tilted tensor spectral index and we demonstrate that these models can lead to detectable primordial gravitational waves in the future gravitational wave experiments. Some of the scenarios examined, for specific values of the reheating temperature may be detectable by SKA, LISA, BBO, DECIGO and the Einstein Telescope.

  • 5 authors
·
Mar 22, 2025

Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition

Foundation models (FMs), such as GPT-4 and AlphaFold, are reshaping the landscape of scientific research. Beyond accelerating tasks such as hypothesis generation, experimental design, and result interpretation, they prompt a more fundamental question: Are FMs merely enhancing existing scientific methodologies, or are they redefining the way science is conducted? In this paper, we argue that FMs are catalyzing a transition toward a new scientific paradigm. We introduce a three-stage framework to describe this evolution: (1) Meta-Scientific Integration, where FMs enhance workflows within traditional paradigms; (2) Hybrid Human-AI Co-Creation, where FMs become active collaborators in problem formulation, reasoning, and discovery; and (3) Autonomous Scientific Discovery, where FMs operate as independent agents capable of generating new scientific knowledge with minimal human intervention. Through this lens, we review current applications and emerging capabilities of FMs across existing scientific paradigms. We further identify risks and future directions for FM-enabled scientific discovery. This position paper aims to support the scientific community in understanding the transformative role of FMs and to foster reflection on the future of scientific discovery. Our project is available at https://github.com/usail-hkust/Awesome-Foundation-Models-for-Scientific-Discovery.

usail-hkust usail-hkust
·
Oct 16, 2025 4