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Michael Walter

Publications and source records attributed to Michael Walter.

At least 37 records · Page 2Linked to original sources

Ab-initio force prediction for single molecule force spectroscopy made simple

Bond rupture under the action of external forces is induced by temperature fluctuations. We show that measured forces from single molecule force spectroscopy experiments can be predicted from two quantities describing the bond that are the barrier to break the bond in absence of force as well as the maximal force the bond can withstand. The former can be obtained by a force free transition state calculation and the latter is determined by a simple constrained ge- ometry simulates forces (COGEF) calculation. Considering experimental temperature and force loading rate allows the prediction of measured bond rupture forces from a closed expression with very good accuracy.

cond-mat.mtrl-sci↗

Computing moment polytopes -- with a focus on tensors, entanglement and matrix multiplication

Tensors are fundamental in mathematics, computer science, and physics. Their study through algebraic geometry and representation theory has proved very fruitful in the context of algebraic complexity theory and quantum information. In particular, moment polytopes have been understood to play a key role. In quantum information, moment polytopes (also known as entanglement polytopes) provide a framework for the single-particle quantum marginal problem and offer a geometric characterization of entanglement. In algebraic complexity, they underpin quantum functionals that capture asymptotic tensor relations. More recently, moment polytopes have also become foundational to the emerging field of scaling algorithms in computer science and optimization. Despite their fundamental role and interest from many angles, much is still unknown about these polytopes, and in particular for tensors beyond $\mathbb{C}^2\otimes\mathbb{C}^2\otimes\mathbb{C}^2$ and $\mathbb{C}^2\otimes\mathbb{C}^2\otimes\mathbb{C}^2\otimes\mathbb{C}^2$ only sporadically have they been computed. We give a new algorithm for computing moment polytopes of tensors (and in fact moment polytopes for the general class of reductive algebraic groups) based on a mathematical description by Franz (J. Lie Theory 2002). This algorithm enables us to compute moment polytopes of tensors of dimension an order of magnitude larger than previous methods, allowing us to compute with certainty, for the first time, all moment polytopes of tensors in $\mathbb{C}^3\otimes\mathbb{C}^3\otimes\mathbb{C}^3$, and with high probability those in $\mathbb{C}^4\otimes\mathbb{C}^4\otimes\mathbb{C}^4$ (which includes the $2\times 2$ matrix multiplication tensor). We discuss how these explicit moment polytopes have led to several new theoretical directions and results.

math.RT↗

Is it Gaussian? Testing bosonic quantum states

Gaussian states are widely regarded as one of the most relevant classes of continuous-variable (CV) quantum states, as they naturally arise in physical systems and play a key role in quantum technologies. This motivates a fundamental question: given copies of an unknown CV state, how can we efficiently test whether it is Gaussian? We address this problem from the perspective of representation theory and quantum learning theory, characterizing the sample complexity of Gaussianity testing as a function of the number of modes. For pure states, we prove that just a constant number of copies is sufficient to decide whether the state is exactly Gaussian. We then extend this to the tolerant setting, showing that a polynomial number of copies suffices to distinguish states that are close to Gaussian from those that are far. In contrast, we establish that testing Gaussianity of general mixed states necessarily requires exponentially many copies, thereby identifying a fundamental limitation in testing CV systems. Our approach relies on rotation-invariant symmetries of Gaussian states together with the recently introduced toolbox of CV trace-distance bounds.

quant-ph↗

Self-concordant Schrödinger operators: spectral gaps and optimization without condition numbers

Spectral gaps play a fundamental role in many areas of mathematics, computer science, and physics. In quantum mechanics, the spectral gap of Schrödinger operators has a long history of study due to its physical relevance, while in quantum computing spectral gaps are an important proxy for efficiency, such as in the quantum adiabatic algorithm. Motivated by convex optimization, we study Schrödinger operators associated with self-concordant barriers over convex domains and prove non-asymptotic lower bounds on the spectral gap for this class of operators. Significantly, we find that the spectral gap does not display any condition-number dependence when the usual Laplacian is replaced by the Laplace--Beltrami operator, which uses second-order information of the barrier and hence can take the curvature of the barrier into account. As an algorithmic application, we construct a novel quantum interior point method that applies to arbitrary self-concordant barriers and shows no condition-number dependence. To achieve this we combine techniques from semiclassical analysis, convex optimization, and quantum annealing.

quant-ph↗

Computational Monogamy of Entanglement and Non-Interactive Quantum Key Distribution

Quantum key distribution (QKD) enables Alice and Bob to exchange a secret key over a public, untrusted quantum channel. Compared to classical key exchange, QKD achieves everlasting security: after the protocol execution the key is secure against adversaries that can do unbounded computations. On the flip side, while classical key exchange can be achieved non-interactively (with two simultaneous messages between Alice and Bob), no non-interactive protocol is known that provides everlasting security, even using quantum information. In this work, we make progress on this problem. Our main technical contribution is a computational variant of the celebrated monogamy of entanglement game, where the secret is only computationally hidden from the players, rather than information-theoretically. In these settings, we prove a negligible bound on the maximal winning probability over all strategies. As a direct application, we obtain a non-interactive (simultaneous message) QKD protocol from any post-quantum classical non-interactive key exchange, which satisfies everlastingly secure assuming Alice and Bob agree on the same key. The protocol only uses EPR pairs and standard and Hadamard basis measurements, making it suitable for near-term quantum hardware. We also propose how to convert this protocol into a two-round protocol that satisfies the standard notion of everlasting security. Finally, we prove a no-go theorem which establishes that (in contrast to the case of ordinary multi-round QKD) entanglement is necessary for non-interactive QKD, i.e., the messages sent by Alice and Bob cannot both be unentangled with their respective quantum memories if the protocol is to be everlastingly secure.

quant-ph↗

Atomic diffraction by patterned holes in hexagonal boron nitride: a comparison between semi-classical and quantum computational models

The diffraction of atoms and molecules through tiny, sub-nanometre holes in atomically thin membranes is a promising approach for advancing atom interferometry sensing and atomic holography. However, dispersion interactions, such as the Casimir-Polder force, pose a significant challenge by attracting diffracting particles to the membrane, limiting the minimum hole size. This paper presents a numerical simulation of helium matter-wave diffraction through sub-nanometre holes in hexagonal boron nitride by solving the time-dependent Schrödinger equation. Our results show that the transmission rates in the quantum approach are significantly higher than those predicted by the commonly used semi-classical approach. This suggests that significantly smaller holes can be used in the design of diffractive masks, provided that fabrication techniques can meet the atomic-level precision to realise such holes. Furthermore, we observe notable differences in diffraction patterns, even for atom velocities that are much greater than the expected convergence threshold between semi-classical and quantum computational models.

quant-ph↗

Explicit core-hole single-particle methods for L- and M- edge X-ray absorption and electron energy-loss spectra

Single-particle methods based on Kohn-Sham unoccupied states to describe near-edge X-ray absorption (XAS) spectra are routinely applied for the description of K-edge spectra, as there is no complication due to spin-orbit (SO) coupling. L- and M-edge spectra are often addressed via variants of time-dependent density functional theory (TDDFT) based on SO calculations. Here, we present a computationally efficient implementation based on single-particle calculations with core holes within the frozen-core approximation. Combined with a semiempirical energy shift and a fixed spin-orbit splitting for each core level, this allows for a computationally cheap, while overall accurate prediction of experimental spectra on the absolute energy scale. The spectra are compared to about 40 times slower linear-response TDDFT calculations for molecules and show similar or even better match with experiment. An exception are multiplet effects that we analyze in detail and show that they cannot be covered by a single-particle approximation. A similar picture emerges for solids, where good qualitative and sometimes even quantitative agreement to experimental XAS and electron energy-loss spectra is achieved.

cond-mat.mtrl-sci↗

Probing the single neurotransmitters with the WGM microcavity-hybridized plasmonic nanospiked antennas

Discerning the neurotransmitter dysregulation is a hallmark of neurological disorders and diseases, including Alzheimer's, Parkinson's, and multiple sclerosis. The concentration of neurotransmitters in the synaptic cleft is particularly low, ranging from nM to fM, which makes it challenging to accurately monitor changes over the course of a clinical trial using existing sensing techniques. By means of an advanced whispering gallery mode (WGM) sensor hybridized with plasmonic nanospiked antennas, we detect and discriminate between different neurotransmitters at the single-molecule level. Our results show that the sensor can detect neurotransmitters with exceptional sensitivity down to 10 aM and discriminate between structurally similar neurotransmitters, such as GABA and glutamate, over a large number of detection events. Furthermore, we find that the average WGM resonance shift, induced by a neurotransmitter binding to the sensor, strongly correlates with molecular polarizability values obtained from electronic structure calculations. These findings establish the optoplasmonic WGM sensors as potential biosensor platform in different avenues of neuroscience by detecting and discriminating neurotransmitters as well as investigating their dynamics at ultra low-level concentrations, plausibly contributing to deeper understanding of brain function and neurological disorders.

physics.bio-ph↗

A bound on the quantum value of all compiled nonlocal games

A cryptographic compiler introduced by Kalai et al. (STOC'23) converts any nonlocal game into an interactive protocol with a single computationally bounded prover. Although the compiler is known to be sound in the case of classical provers and complete in the quantum case, quantum soundness has so far only been established for special classes of games. In this work, we establish a quantum soundness result for all compiled two-player nonlocal games. In particular, we prove that the quantum commuting operator value of the underlying nonlocal game is an upper bound on the quantum value of the compiled game. Our result employs techniques from operator algebras in a computational and cryptographic setting to establish information-theoretic objects in the asymptotic limit of the security parameter. It further relies on a sequential characterization of quantum commuting operator correlations which may be of independent interest.

quant-ph↗

QbC: Quantum Correctness by Construction

Thanks to the rapid progress and growing complexity of quantum algorithms, correctness of quantum programs has become a major concern. Pioneering research over the past years has proposed various approaches to formally verify quantum programs using proof systems such as quantum Hoare logic. All these prior approaches are post-hoc: one first implements a program and only then verifies its correctness. Here we propose Quantum Correctness by Construction (QbC): an approach to constructing quantum programs from their specification in a way that ensures correctness. We use pre- and postconditions to specify program properties, and propose sound and complete refinement rules for constructing programs in a quantum while language from their specification. We validate QbC by constructing quantum programs for idiomatic problems and patterns. We find that the approach naturally suggests how to derive program details, highlighting key design choices along the way. As such, we believe that QbC can play a role in supporting the design and taxonomization of quantum algorithms and software.

quant-ph↗

The moment polytope of matrix multiplication is not maximal

Moment polytopes of tensors, the study of which is deeply rooted in invariant theory, representation theory and symplectic geometry, have found relevance in numerous places, from quantum information (entanglement polytopes) and algebraic complexity theory (GCT program and the complexity of matrix multiplication) to optimization (scaling algorithms). Towards an open problem in algebraic complexity theory, we prove separations between the moment polytopes of matrix multiplication tensors and unit tensors. As a consequence, we find that matrix multiplication moment polytopes are not maximal, i.e. are strictly contained in the corresponding Kronecker polytope. As another consequence, we obtain a no-go result for a natural operational characterization of moment polytope inclusion in terms of asymptotic restriction. We generalize the separation and non-maximality to moment polytopes of iterated matrix multiplication tensors. Our result implies that tensor networks where multipartite entanglement structures beyond two-party entanglement are allowed can go beyond projected entangled-pair states (PEPS) in terms of expressivity. Our proof characterizes membership of uniform points in moment polytopes of tensors, and establishes a connection to polynomial multiplication tensors via the minrank of matrix subspaces. As a result of independent interest, we extend these techniques to obtain a new proof of the optimal border subrank bound for matrix multiplication.

cs.CC↗

Explicit non-free tensors

Free tensors are tensors which, after a change of bases, have free support: any two distinct elements of its support differ in at least two coordinates. They play a distinguished role in the theory of bilinear complexity, in particular in Strassen's duality theory for asymptotic rank. Within the context of quantum information theory, where tensors are interpreted as multiparticle quantum states, freeness corresponds to a type of multiparticle Schmidt decomposition. In particular, if a state is free in a given basis, the reduced density matrices are diagonal. Although generic tensors in $\mathbb{C}^n \otimes \mathbb{C}^n \otimes \mathbb{C}^n$ are non-free for $n \geq 4$ by parameter counting, no explicit non-free tensors were known until now. We solve this hay in a haystack problem by constructing explicit tensors that are non-free for every $n \geq 3$. In particular, this establishes that non-free tensors exist in $\mathbb{C}^n \otimes \mathbb{C}^n \otimes \mathbb{C}^n$, where they are not generic. To establish non-freeness, we use results from geometric invariant theory and the theory of moment polytopes. In particular, we show that if a tensor $T$ is free, then there is a tensor $S$ in the GL-orbit closure of $T$, whose support is free and whose moment map image is the minimum-norm point of the moment polytope of $T$. This implies a reduction for checking non-freeness from arbitrary basis changes of $T$ to unitary basis changes of $S$. The unitary equivariance of the moment map can then be combined with the fact that tensors with free support have diagonal moment map image, in order to further restrict the set of relevant basis changes.

math.AG↗

Site-Specific Radio Channel Representation for 5G and 6G

A site-specific radio channel representation (SSCR) takes the surroundings of the communication system into account by considering the environment geometry, including buildings, vegetation, and mobile objects with their material and surface properties. We present methods for an SSCR that is spatially consistent, such that mobile transmitter and receiver cause a correlated time-varying channel impulse response and closely spaced antennas are correctly correlated. An SSCR is composed of a dynamically varying number of multipath components solely defined by the environment geometry and the material of the environmental objects. Hence, the environment geometry is the only natural scenario parameterization and specific calibration procedures shall be avoided. 5G and 6G physical layer technologies are increasingly able to exploit the properties of a wide range of environments from dense urban areas to railways, road transportation, industrial automation, and unmanned aerial vehicles. The channel impulse response in this wide range of scenarios has generally non-stationary statistical properties, i.e., the Doppler spectrum, power delay profile, K-factor and spatial correlation are all spatially variant (or time-variant for mobile receivers). SSCRs will enable research and development of emerging 5G and 6G technologies such as distributed multiple-input multiple-output systems, reconfigurable intelligent surfaces, multi-band communication, and joint communication and sensing. We highlight the state of the art and summarize research directions for future work towards an SSCR.

eess.SP↗

Random tensor networks with nontrivial links

Random tensor networks are a powerful toy model for understanding the entanglement structure of holographic quantum gravity. However, unlike holographic quantum gravity, their entanglement spectra are flat. It has therefore been argued that a better model consists of random tensor networks with link states that are not maximally entangled, i.e., have nontrivial spectra. In this work, we initiate a systematic study of the entanglement properties of these networks. We employ tools from free probability, random matrix theory, and one-shot quantum information theory to study random tensor networks with bounded and unbounded variation in link spectra, and in cases where a subsystem has one or multiple minimal cuts. If the link states have bounded spectral variation, the limiting entanglement spectrum of a subsystem with two minimal cuts can be expressed as a free product of the entanglement spectra of each cut, along with a Marchenko-Pastur distribution. For a class of states with unbounded spectral variation, analogous to semiclassical states in quantum gravity, we relate the limiting entanglement spectrum of a subsystem with two minimal cuts to the distribution of the minimal entanglement across the two cuts. In doing so, we draw connections to previous work on split transfer protocols, entanglement negativity in random tensor networks, and Euclidean path integrals in quantum gravity.

quant-ph↗

Mobile-to-Mobile Uncorrelated Scatter Channels

In this paper, we present a complete analytic probability based description of mobile-to-mobile uncorrelated scatter channels. The correlation based description introduced by Bello and Matz is thus complemented by the presented probabilistic description leading to a common theoretical description of uncorrelated scatter channels. Furthermore, we introduce novel twodimensional hybrid characteristic probability density functions, which remain a probability density in one of the variables and a characteristic function in the other variable. Such a probability based description allows us to derive a mathematical model, in which the attenuation of the scattering components is inherently included in these two-dimensional functions. Therefore, there is no need to determine the path loss exponent. Additionally, the Doppler probability density function with the inclusion of the path loss leads to a concave function of the Doppler spectrum, which is quite different from the Jakes and Doppler spectra and can be directly parameterized by the velocity vectors and geometry of the scattering plane. Thus, knowing those parameters permits the theoretical computation of the Doppler spectra and temporal characteristic functions. Finally, we present a comparison between the computed probability based theoretical results and measurement data for a generic mobile-to-mobile channel. The agreement between the two shows the usefulness of the probability based description and confirms new shapes of the Doppler power spectra.

eess.SP↗

Permutation Superposition Oracles for Quantum Query Lower Bounds

We propose a generalization of Zhandry's compressed oracle method to random permutations, where an algorithm can query both the permutation and its inverse. We show how to use the resulting oracle simulation to bound the success probability of an algorithm for any predicate on input-output pairs, a key feature of Zhandry's technique that had hitherto resisted attempts at generalization to random permutations. One key technical ingredient is to use strictly monotone factorizations to represent the permutation in the oracle's database. As an application of our framework, we show that the one-round sponge construction is unconditionally preimage resistant in the random permutation model. This proves a conjecture by Unruh.

quant-ph↗

Atomic diffraction by nanoholes in hexagonal boron nitride

Fabricating patterned nanostructures with matter waves can help to realise new nanophotonic devices. However, due to dispersion effects, designing patterns with nanoscale features is challenging. Here, we consider the propagation of a helium matter wave through different holes in hexagonal boron nitride (h-BN) as a case study for the weakest dispersion interaction and the matter wave's diffraction as it passes through the holes. We use a quantum-mechanical model to calculate the polarisability of edge atoms around the holes, where we observe polarization ripples of enhanced and reduced polarisabilities around the holes. We use these values to calculate van der Waals dispersion coefficients for the scattered helium atoms. We find that the resulting diffraction patterns are affected by the shape and size of the holes, where the smallest holes have a radius of just $6$~Å. These results can be used to predict the resolution limits of nano-hole patterns on nanophotonic materials.

quant-ph↗