@article{14986, abstract = {We prove a version of the tamely ramified geometric Langlands correspondence in positive characteristic for GLn(k). Let k be an algebraically closed field of characteristic p>n. Let X be a smooth projective curve over k with marked points, and fix a parabolic subgroup of GLn(k) at each marked point. We denote by Bunn,P the moduli stack of (quasi-)parabolic vector bundles on X, and by Locn,P the moduli stack of parabolic flat connections such that the residue is nilpotent with respect to the parabolic reduction at each marked point. We construct an equivalence between the bounded derived category Db(Qcoh(Loc0n,P)) of quasi-coherent sheaves on an open substack Loc0n,P⊂Locn,P, and the bounded derived category Db(D0Bunn,P-mod) of D0Bunn,P-modules, where D0Bunn,P is a localization of DBunn,P the sheaf of crystalline differential operators on Bunn,P. Thus we extend the work of Bezrukavnikov-Braverman to the tamely ramified case. We also prove a correspondence between flat connections on X with regular singularities and meromorphic Higgs bundles on the Frobenius twist X(1) of X with first order poles .}, author = {Shen, Shiyu}, issn = {1687-0247}, journal = {International Mathematics Research Notices}, keywords = {General Mathematics}, publisher = {Oxford University Press}, title = {{Tamely ramified geometric Langlands correspondence in positive characteristic}}, doi = {10.1093/imrn/rnae005}, year = {2024}, } @article{15024, abstract = {Electrostatic correlations between ions dissolved in water are known to impact their transport properties in numerous ways, from conductivity to ion selectivity. The effects of these correlations on the solvent itself remain, however, much less clear. In particular, the addition of salt has been consistently reported to affect the solution’s viscosity, but most modeling attempts fail to reproduce experimental data even at moderate salt concentrations. Here, we use an approach based on stochastic density functional theory, which accurately captures charge fluctuations and correlations. We derive a simple analytical expression for the viscosity correction in concentrated electrolytes, by directly linking it to the liquid’s structure factor. Our prediction compares quantitatively to experimental data at all temperatures and all salt concentrations up to the saturation limit. This universal link between the microscopic structure and viscosity allows us to shed light on the nanoscale dynamics of water and ions under highly concentrated and correlated conditions.}, author = {Robin, Paul}, issn = {1089-7690}, journal = {Journal of Chemical Physics}, number = {6}, publisher = {AIP Publishing}, title = {{Correlation-induced viscous dissipation in concentrated electrolytes}}, doi = {10.1063/5.0188215}, volume = {160}, year = {2024}, } @article{15047, abstract = {Tropical precipitation extremes and their changes with surface warming are investigated using global storm resolving simulations and high-resolution observations. The simulations demonstrate that the mesoscale organization of convection, a process that cannot be physically represented by conventional global climate models, is important for the variations of tropical daily accumulated precipitation extremes. In both the simulations and observations, daily precipitation extremes increase in a more organized state, in association with larger, but less frequent, storms. Repeating the simulations for a warmer climate results in a robust increase in monthly-mean daily precipitation extremes. Higher precipitation percentiles have a greater sensitivity to convective organization, which is predicted to increase with warming. Without changes in organization, the strongest daily precipitation extremes over the tropical oceans increase at a rate close to Clausius-Clapeyron (CC) scaling. Thus, in a future warmer state with increased organization, the strongest daily precipitation extremes over oceans increase at a faster rate than CC scaling.}, author = {Bao, Jiawei and Stevens, Bjorn and Kluft, Lukas and Muller, Caroline J}, issn = {2375-2548}, journal = {Science Advances}, number = {8}, publisher = {American Association for the Advancement of Science}, title = {{Intensification of daily tropical precipitation extremes from more organized convection}}, doi = {10.1126/sciadv.adj6801}, volume = {10}, year = {2024}, } @article{15052, abstract = {Substrate induces mechanical strain on perovskite devices, which can result in alterations to its lattice dynamics and thermal transport. Herein, we have performed a theoretical investigation on the anharmonic lattice dynamics and thermal property of perovskite Rb2SnBr6 and Cs2SnBr6 under strains using perturbation theory up to the fourth-order terms and the unified thermal transport theory. We demonstrate a pronounced hardening of low-frequency optical phonons as temperature increases, indicating strong lattice anharmonicity and the necessity of adopting temperature-dependent interatomic force constants in the lattice thermal conductivity ( κL) calculations. It is found that the low-lying optical phonon modes of Rb2SnBr6 are extremely soft and their phonon energies are almost strain independent, which ultimately lead to a lower κL and a weaker strain dependence than Cs2SnBr6. We further reveal that the strain dependence of these phonon modes in the A2XB6-type perovskites weakens as their ibrational frequency decreases. This study deepens the understanding of lattice thermal transport in perovskites A2XB6 and provides a perspective on the selection of materials that meet the expected thermal behaviors in practical applications.}, author = {Cheng, Ruihuan and Zeng, Zezhu and Wang, Chen and Ouyang, Niuchang and Chen, Yue}, issn = {2469-9969}, journal = {Physical Review B}, number = {5}, publisher = {American Physical Society}, title = {{Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxXB6-type perovskites}}, doi = {10.1103/physrevb.109.054305}, volume = {109}, year = {2024}, } @inproceedings{14769, abstract = {For a set of points in Rd, the Euclidean k-means problems consists of finding k centers such that the sum of distances squared from each data point to its closest center is minimized. Coresets are one the main tools developed recently to solve this problem in a big data context. They allow to compress the initial dataset while preserving its structure: running any algorithm on the coreset provides a guarantee almost equivalent to running it on the full data. In this work, we study coresets in a fully-dynamic setting: points are added and deleted with the goal to efficiently maintain a coreset with which a k-means solution can be computed. Based on an algorithm from Henzinger and Kale [ESA'20], we present an efficient and practical implementation of a fully dynamic coreset algorithm, that improves the running time by up to a factor of 20 compared to our non-optimized implementation of the algorithm by Henzinger and Kale, without sacrificing more than 7% on the quality of the k-means solution.}, author = {Henzinger, Monika H and Saulpic, David and Sidl, Leonhard}, booktitle = {2024 Proceedings of the Symposium on Algorithm Engineering and Experiments}, location = {Alexandria, VA, United States}, pages = {220--233}, publisher = {Society for Industrial & Applied Mathematics}, title = {{Experimental evaluation of fully dynamic k-means via coresets}}, doi = {10.1137/1.9781611977929.17}, year = {2024}, } @article{12313, abstract = {Let P be a nontorsion point on an elliptic curve defined over a number field K and consider the sequence {Bn}n∈N of the denominators of x(nP). We prove that every term of the sequence of the Bn has a primitive divisor for n greater than an effectively computable constant that we will explicitly compute. This constant will depend only on the model defining the curve.}, author = {Verzobio, Matteo}, issn = {0030-8730}, journal = {Pacific Journal of Mathematics}, number = {2}, pages = {331--351}, publisher = {Mathematical Sciences Publishers}, title = {{Some effectivity results for primitive divisors of elliptic divisibility sequences}}, doi = {10.2140/pjm.2023.325.331}, volume = {325}, year = {2023}, } @article{12563, abstract = {he approximate graph coloring problem, whose complexity is unresolved in most cases, concerns finding a c-coloring of a graph that is promised to be k-colorable, where c≥k. This problem naturally generalizes to promise graph homomorphism problems and further to promise constraint satisfaction problems. The complexity of these problems has recently been studied through an algebraic approach. In this paper, we introduce two new techniques to analyze the complexity of promise CSPs: one is based on topology and the other on adjunction. We apply these techniques, together with the previously introduced algebraic approach, to obtain new unconditional NP-hardness results for a significant class of approximate graph coloring and promise graph homomorphism problems.}, author = {Krokhin, Andrei and Opršal, Jakub and Wrochna, Marcin and Živný, Stanislav}, issn = {1095-7111}, journal = {SIAM Journal on Computing}, keywords = {General Mathematics, General Computer Science}, number = {1}, pages = {38--79}, publisher = {Society for Industrial & Applied Mathematics}, title = {{Topology and adjunction in promise constraint satisfaction}}, doi = {10.1137/20m1378223}, volume = {52}, year = {2023}, } @article{12876, abstract = {Motivation: The problem of model inference is of fundamental importance to systems biology. Logical models (e.g. Boolean networks; BNs) represent a computationally attractive approach capable of handling large biological networks. The models are typically inferred from experimental data. However, even with a substantial amount of experimental data supported by some prior knowledge, existing inference methods often focus on a small sample of admissible candidate models only. Results: We propose Boolean network sketches as a new formal instrument for the inference of Boolean networks. A sketch integrates (typically partial) knowledge about the network’s topology and the update logic (obtained through, e.g. a biological knowledge base or a literature search), as well as further assumptions about the properties of the network’s transitions (e.g. the form of its attractor landscape), and additional restrictions on the model dynamics given by the measured experimental data. Our new BNs inference algorithm starts with an ‘initial’ sketch, which is extended by adding restrictions representing experimental data to a ‘data-informed’ sketch and subsequently computes all BNs consistent with the data-informed sketch. Our algorithm is based on a symbolic representation and coloured model-checking. Our approach is unique in its ability to cover a broad spectrum of knowledge and efficiently produce a compact representation of all inferred BNs. We evaluate the method on a non-trivial collection of real-world and simulated data.}, author = {Beneš, Nikola and Brim, Luboš and Huvar, Ondřej and Pastva, Samuel and Šafránek, David}, issn = {1367-4811}, journal = {Bioinformatics}, number = {4}, publisher = {Oxford Academic}, title = {{Boolean network sketches: A unifying framework for logical model inference}}, doi = {10.1093/bioinformatics/btad158}, volume = {39}, year = {2023}, } @article{13263, abstract = {Motivation: Boolean networks are simple but efficient mathematical formalism for modelling complex biological systems. However, having only two levels of activation is sometimes not enough to fully capture the dynamics of real-world biological systems. Hence, the need for multi-valued networks (MVNs), a generalization of Boolean networks. Despite the importance of MVNs for modelling biological systems, only limited progress has been made on developing theories, analysis methods, and tools that can support them. In particular, the recent use of trap spaces in Boolean networks made a great impact on the field of systems biology, but there has been no similar concept defined and studied for MVNs to date. Results: In this work, we generalize the concept of trap spaces in Boolean networks to that in MVNs. We then develop the theory and the analysis methods for trap spaces in MVNs. In particular, we implement all proposed methods in a Python package called trapmvn. Not only showing the applicability of our approach via a realistic case study, we also evaluate the time efficiency of the method on a large collection of real-world models. The experimental results confirm the time efficiency, which we believe enables more accurate analysis on larger and more complex multi-valued models.}, author = {Trinh, Van Giang and Benhamou, Belaid and Henzinger, Thomas A and Pastva, Samuel}, issn = {1367-4811}, journal = {Bioinformatics}, number = {Supplement_1}, pages = {i513--i522}, publisher = {Oxford Academic}, title = {{Trap spaces of multi-valued networks: Definition, computation, and applications}}, doi = {10.1093/bioinformatics/btad262}, volume = {39}, year = {2023}, } @article{13268, abstract = {We give a simple argument to prove Nagai’s conjecture for type II degenerations of compact hyperkähler manifolds and cohomology classes of middle degree. Under an additional assumption, the techniques yield the conjecture in arbitrary degree. This would complete the proof of Nagai’s conjecture in general, as it was proved already for type I degenerations by Kollár, Laza, Saccà, and Voisin [10] and independently by Soldatenkov [18], while it is immediate for type III degenerations. Our arguments are close in spirit to a recent paper by Harder [8] proving similar results for the restrictive class of good degenerations.}, author = {Huybrechts, D. and Mauri, Mirko}, issn = {1945-001X}, journal = {Mathematical Research Letters}, number = {1}, pages = {125--141}, publisher = {International Press}, title = {{On type II degenerations of hyperkähler manifolds}}, doi = {10.4310/mrl.2023.v30.n1.a6}, volume = {30}, year = {2023}, } @inproceedings{14867, abstract = {Starting with the empty graph on $[n]$, at each round, a set of $K=K(n)$ edges is presented chosen uniformly at random from the ones that have not been presented yet. We are then asked to choose at most one of the presented edges and add it to the current graph. Our goal is to construct a Hamiltonian graph with $(1+o(1))n$ edges within as few rounds as possible. We show that in this process, one can build a Hamiltonian graph of size $(1+o(1))n$ in $(1+o(1))(1+(\log n)/2K) n$ rounds w.h.p. The case $K=1$ implies that w.h.p. one can build a Hamiltonian graph by choosing $(1+o(1))n$ edges in an online fashion as they appear along the first $(0.5+o(1))n\log n$ rounds of the random graph process. This answers a question of Frieze, Krivelevich and Michaeli. Observe that the number of rounds is asymptotically optimal as the first $0.5n\log n$ edges do not span a Hamilton cycle w.h.p. The case $K=\Theta(\log n)$ implies that the Hamiltonicity threshold of the corresponding Achlioptas process is at most $(1+o(1))(1+(\log n)/2K) n$. This matches the $(1-o(1))(1+(\log n)/2K) n$ lower bound due to Krivelevich, Lubetzky and Sudakov and resolves the problem of determining the Hamiltonicity threshold of the Achlioptas process with $K=\Theta(\log n)$. We also show that in the above process one can construct a graph $G$ that spans a matching of size $\lfloor V(G)/2) \rfloor$ and $(0.5+o(1))n$ edges within $(1+o(1))(0.5+(\log n)/2K) n$ rounds w.h.p. Our proof relies on a robust Hamiltonicity property of the strong $4$-core of the binomial random graph which we use as a black-box. This property allows it to absorb paths covering vertices outside the strong $4$-core into a cycle.}, author = {Anastos, Michael}, booktitle = {Proceedings of the 12th European Conference on Combinatorics, Graph Theory and Applications}, issn = {2788-3116}, location = {Prague, Czech Republic}, pages = {36--41}, publisher = {Masaryk University Press}, title = {{Constructing Hamilton cycles and perfect matchings efficiently}}, doi = {10.5817/cz.muni.eurocomb23-005}, year = {2023}, } @misc{14991, abstract = {This repository contains the data, scripts, WRF codes and files required to reproduce the results of the manuscript "Assessing Memory in Convection Schemes Using Idealized Tests" submitted to the Journal of Advances in Modeling Earth Systems (JAMES).}, author = {Hwong, Yi-Ling and Colin, Maxime and Aglas, Philipp and Muller, Caroline J and Sherwood, Steven C.}, publisher = {Zenodo}, title = {{Data-assessing memory in convection schemes using idealized tests}}, doi = {10.5281/ZENODO.7757041}, year = {2023}, } @article{13971, abstract = {When in equilibrium, thermal forces agitate molecules, which then diffuse, collide and bind to form materials. However, the space of accessible structures in which micron-scale particles can be organized by thermal forces is limited, owing to the slow dynamics and metastable states. Active agents in a passive fluid generate forces and flows, forming a bath with active fluctuations. Two unanswered questions are whether those active agents can drive the assembly of passive components into unconventional states and which material properties they will exhibit. Here we show that passive, sticky beads immersed in a bath of swimming Escherichia coli bacteria aggregate into unconventional clusters and gels that are controlled by the activity of the bath. We observe a slow but persistent rotation of the aggregates that originates in the chirality of the E. coli flagella and directs aggregation into structures that are not accessible thermally. We elucidate the aggregation mechanism with a numerical model of spinning, sticky beads and reproduce quantitatively the experimental results. We show that internal activity controls the phase diagram and the structure of the aggregates. Overall, our results highlight the promising role of active baths in designing the structural and mechanical properties of materials with unconventional phases.}, author = {Grober, Daniel and Palaia, Ivan and Ucar, Mehmet C and Hannezo, Edouard B and Šarić, Anđela and Palacci, Jérémie A}, issn = {1745-2481}, journal = {Nature Physics}, pages = {1680--1688}, publisher = {Springer Nature}, title = {{Unconventional colloidal aggregation in chiral bacterial baths}}, doi = {10.1038/s41567-023-02136-x}, volume = {19}, year = {2023}, } @article{14239, abstract = {Given a resolution of rational singularities π:X~→X over a field of characteristic zero, we use a Hodge-theoretic argument to prove that the image of the functor Rπ∗:Db(X~)→Db(X) between bounded derived categories of coherent sheaves generates Db(X) as a triangulated category. This gives a weak version of the Bondal–Orlov localization conjecture [BO02], answering a question from [PS21]. The same result is established more generally for proper (not necessarily birational) morphisms π:X~→X , with X~ smooth, satisfying Rπ∗(OX~)=OX .}, author = {Mauri, Mirko and Shinder, Evgeny}, issn = {2050-5094}, journal = {Forum of Mathematics, Sigma}, publisher = {Cambridge University Press}, title = {{Homological Bondal-Orlov localization conjecture for rational singularities}}, doi = {10.1017/fms.2023.65}, volume = {11}, year = {2023}, } @article{14319, abstract = {We study multigraphs whose edge-sets are the union of three perfect matchings, M1, M2, and M3. Given such a graph G and any a1; a2; a3 2 N with a1 +a2 +a3 6 n - 2, we show there exists a matching M of G with jM \ Mij = ai for each i 2 f1; 2; 3g. The bound n - 2 in the theorem is best possible in general. We conjecture however that if G is bipartite, the same result holds with n - 2 replaced by n - 1. We give a construction that shows such a result would be tight. We also make a conjecture generalising the Ryser-Brualdi-Stein conjecture with colour multiplicities.}, author = {Anastos, Michael and Fabian, David and Müyesser, Alp and Szabó, Tibor}, issn = {1077-8926}, journal = {Electronic Journal of Combinatorics}, number = {3}, publisher = {Electronic Journal of Combinatorics}, title = {{Splitting matchings and the Ryser-Brualdi-Stein conjecture for multisets}}, doi = {10.37236/11714}, volume = {30}, year = {2023}, } @inproceedings{14411, abstract = {Partially specified Boolean networks (PSBNs) represent a promising framework for the qualitative modelling of biological systems in which the logic of interactions is not completely known. Phenotype control aims to stabilise the network in states exhibiting specific traits. In this paper, we define the phenotype control problem in the context of asynchronous PSBNs and propose a novel semi-symbolic algorithm for solving this problem with permanent variable perturbations.}, author = {Beneš, Nikola and Brim, Luboš and Pastva, Samuel and Šafránek, David and Šmijáková, Eva}, booktitle = {21st International Conference on Computational Methods in Systems Biology}, isbn = {9783031426964}, issn = {1611-3349}, location = {Luxembourg City, Luxembourg}, pages = {18--35}, publisher = {Springer Nature}, title = {{Phenotype control of partially specified boolean networks}}, doi = {10.1007/978-3-031-42697-1_2}, volume = {14137}, year = {2023}, } @article{14425, abstract = {Water adsorption and dissociation processes on pristine low-index TiO2 interfaces are important but poorly understood outside the well-studied anatase (101) and rutile (110). To understand these, we construct three sets of machine learning potentials that are simultaneously applicable to various TiO2 surfaces, based on three density-functional-theory approximations. Here we show the water dissociation free energies on seven pristine TiO2 surfaces, and predict that anatase (100), anatase (110), rutile (001), and rutile (011) favor water dissociation, anatase (101) and rutile (100) have mostly molecular adsorption, while the simulations of rutile (110) sensitively depend on the slab thickness and molecular adsorption is preferred with thick slabs. Moreover, using an automated algorithm, we reveal that these surfaces follow different types of atomistic mechanisms for proton transfer and water dissociation: one-step, two-step, or both. These mechanisms can be rationalized based on the arrangements of water molecules on the different surfaces. Our finding thus demonstrates that the different pristine TiO2 surfaces react with water in distinct ways, and cannot be represented using just the low-energy anatase (101) and rutile (110) surfaces.}, author = {Zeng, Zezhu and Wodaczek, Felix and Liu, Keyang and Stein, Frederick and Hutter, Jürg and Chen, Ji and Cheng, Bingqing}, issn = {2041-1723}, journal = {Nature Communications}, publisher = {Springer Nature}, title = {{Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations}}, doi = {10.1038/s41467-023-41865-8}, volume = {14}, year = {2023}, } @article{14486, abstract = {We present a minimal model of ferroelectric large polarons, which are suggested as one of the mechanisms responsible for the unique charge transport properties of hybrid perovskites. We demonstrate that short-ranged charge–rotor interactions lead to long-range ferroelectric ordering of rotors, which strongly affects the carrier mobility. In the nonperturbative regime, where our theory cannot be reduced to any of the earlier models, we reveal that the polaron is characterized by large coherence length and a roughly tenfold increase of the effective mass as compared to the bare mass. These results are in good agreement with other theoretical predictions for ferroelectric polarons. Our model establishes a general phenomenological framework for ferroelectric polarons providing the starting point for future studies of their role in the transport properties of hybrid organic-inorganic perovskites.}, author = {Koutentakis, Georgios and Ghazaryan, Areg and Lemeshko, Mikhail}, issn = {2643-1564}, journal = {Physical Review Research}, number = {4}, publisher = {American Physical Society}, title = {{Rotor lattice model of ferroelectric large polarons}}, doi = {10.1103/PhysRevResearch.5.043016}, volume = {5}, year = {2023}, } @article{14605, abstract = {The phonon transport mechanisms and ultralow lattice thermal conductivities (κL) in silver halide AgX (X=Cl,Br,I) compounds are not yet well understood. Herein, we study the lattice dynamics and thermal property of AgX under the framework of perturbation theory and the two-channel Wigner thermal transport model based on accurate machine learning potentials. We find that an accurate extraction of the third-order atomic force constants from largely displaced configurations is significant for the calculation of the κL of AgX, and the coherence thermal transport is also non-negligible. In AgI, however, the calculated κL still considerably overestimates the experimental values even including four-phonon scatterings. Molecular dynamics (MD) simulations using machine learning potential suggest an important role of the higher-than-fourth-order lattice anharmonicity in the low-frequency phonon linewidths of AgI at room temperature, which can be related to the simultaneous restrictions of the three- and four-phonon phase spaces. The κL of AgI calculated using MD phonon lifetimes including full-order lattice anharmonicity shows a better agreement with experiments.}, author = {Ouyang, Niuchang and Zeng, Zezhu and Wang, Chen and Wang, Qi and Chen, Yue}, issn = {2469-9969}, journal = {Physical Review B}, number = {17}, publisher = {American Physical Society}, title = {{Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I)}}, doi = {10.1103/PhysRevB.108.174302}, volume = {108}, year = {2023}, } @article{14658, abstract = {We investigate spin-charge separation of a spin- 1 2 Fermi system confined in a triple well where multiple bands are occupied. We assume that our finite fermionic system is close to fully spin polarized while being doped by a hole and an impurity fermion with opposite spin. Our setup involves ferromagnetic couplings among the particles in different bands, leading to the development of strong spin-transport correlations in an intermediate interaction regime. Interactions are then strong enough to lift the degeneracy among singlet and triplet spin configurations in the well of the spin impurity but not strong enough to prohibit hole-induced magnetic excitations to the singlet state. Despite the strong spin-hole correlations, the system exhibits spin-charge deconfinement allowing for long-range entanglement of the spatial and spin degrees of freedom.}, author = {Becker, J. M. and Koutentakis, Georgios and Schmelcher, P.}, issn = {2643-1564}, journal = {Physical Review Research}, number = {4}, publisher = {American Physical Society}, title = {{Spin-charge correlations in finite one-dimensional multiband Fermi systems}}, doi = {10.1103/PhysRevResearch.5.043039}, volume = {5}, year = {2023}, }