@article{7142,
  abstract     = {The phytohormone auxin acts as an amazingly versatile coordinator of plant growth and development. With its morphogen-like properties, auxin controls sites and timing of differentiation and/or growth responses both, in quantitative and qualitative terms. Specificity in the auxin response depends largely on distinct modes of signal transmission, by which individual cells perceive and convert auxin signals into a remarkable diversity of responses. The best understood, or so-called canonical mechanism of auxin perception ultimately results in variable adjustments of the cellular transcriptome, via a short, nuclear signal transduction pathway. Additional findings that accumulated over decades implied that an additional, presumably, cell surface-based auxin perception mechanism mediates very rapid cellular responses and decisively contributes to the cell's overall hormonal response. Recent investigations into both, nuclear and cell surface auxin signalling challenged this assumed partition of roles for different auxin signalling pathways and revealed an unexpected complexity in transcriptional and non-transcriptional cellular responses mediated by auxin.},
  author       = {Gallei, Michelle C and Luschnig, Christian and Friml, Jiří},
  issn         = {1879-0356},
  journal      = {Current Opinion in Plant Biology},
  number       = {2},
  pages        = {43--49},
  publisher    = {Elsevier},
  title        = {{Auxin signalling in growth: Schrödinger's cat out of the bag}},
  doi          = {10.1016/j.pbi.2019.10.003},
  volume       = {53},
  year         = {2020},
}

@inproceedings{8724,
  abstract     = {We study the problem of learning from multiple untrusted data sources, a scenario of increasing practical relevance given the recent emergence of crowdsourcing and collaborative learning paradigms. Specifically, we analyze the situation in which a learning system obtains datasets from multiple sources, some of which might be biased or even adversarially perturbed. It is
known that in the single-source case, an adversary with the power to corrupt a fixed fraction of the training data can prevent PAC-learnability, that is, even in the limit of infinitely much training data, no learning system can approach the optimal test error. In this work we show that, surprisingly, the same is not true in the multi-source setting, where the adversary can arbitrarily
corrupt a fixed fraction of the data sources. Our main results are a generalization bound that provides finite-sample guarantees for this learning setting, as well as corresponding lower bounds. Besides establishing PAC-learnability our results also show that in a cooperative learning setting sharing data with other parties has provable benefits, even if some
participants are malicious. },
  author       = {Konstantinov, Nikola H and Frantar, Elias and Alistarh, Dan-Adrian and Lampert, Christoph},
  booktitle    = {Proceedings of the 37th International Conference on Machine Learning},
  issn         = {2640-3498},
  location     = {Online},
  pages        = {5416--5425},
  publisher    = {ML Research Press},
  title        = {{On the sample complexity of adversarial multi-source PAC learning}},
  volume       = {119},
  year         = {2020},
}

@article{8644,
  abstract     = {Determining the phase diagram of systems consisting of smaller subsystems 'connected' via a tunable coupling is a challenging task relevant for a variety of physical settings. A general question is whether new phases, not present in the uncoupled limit, may arise. We use machine learning and a suitable quasidistance between different points of the phase diagram to study layered spin models, in which the spin variables constituting each of the uncoupled systems (to which we refer as layers) are coupled to each other via an interlayer coupling. In such systems, in general, composite order parameters involving spins of different layers may emerge as a consequence of the interlayer coupling. We focus on the layered Ising and Ashkin–Teller models as a paradigmatic case study, determining their phase diagram via the application of a machine learning algorithm to the Monte Carlo data. Remarkably our technique is able to correctly characterize all the system phases also in the case of hidden order parameters, i.e. order parameters whose expression in terms of the microscopic configurations would require additional preprocessing of the data fed to the algorithm. We correctly retrieve the three known phases of the Ashkin–Teller model with ferromagnetic couplings, including the phase described by a composite order parameter. For the bilayer and trilayer Ising models the phases we find are only the ferromagnetic and the paramagnetic ones. Within the approach we introduce, owing to the construction of convolutional neural networks, naturally suitable for layered image-like data with arbitrary number of layers, no preprocessing of the Monte Carlo data is needed, also with regard to its spatial structure. The physical meaning of our results is discussed and compared with analytical data, where available. Yet, the method can be used without any a priori knowledge of the phases one seeks to find and can be applied to other models and structures.},
  author       = {Rzadkowski, Wojciech and Defenu, N and Chiacchiera, S and Trombettoni, A and Bighin, Giacomo},
  issn         = {1367-2630},
  journal      = {New Journal of Physics},
  number       = {9},
  publisher    = {IOP Publishing},
  title        = {{Detecting composite orders in layered models via machine learning}},
  doi          = {10.1088/1367-2630/abae44},
  volume       = {22},
  year         = {2020},
}

@article{7956,
  abstract     = {When short-range attractions are combined with long-range repulsions in colloidal particle systems, complex microphases can emerge. Here, we study a system of isotropic particles, which can form lamellar structures or a disordered fluid phase when temperature is varied. We show that, at equilibrium, the lamellar structure crystallizes, while out of equilibrium, the system forms a variety of structures at different shear rates and temperatures above melting. The shear-induced ordering is analyzed by means of principal component analysis and artificial neural networks, which are applied to data of reduced dimensionality. Our results reveal the possibility of inducing ordering by shear, potentially providing a feasible route to the fabrication of ordered lamellar structures from isotropic particles.},
  author       = {Pȩkalski, J. and Rzadkowski, Wojciech and Panagiotopoulos, A. Z.},
  issn         = {1089-7690},
  journal      = {The Journal of chemical physics},
  number       = {20},
  publisher    = {AIP Publishing},
  title        = {{Shear-induced ordering in systems with competing interactions: A machine learning study}},
  doi          = {10.1063/5.0005194},
  volume       = {152},
  year         = {2020},
}

@article{7573,
  abstract     = {This paper deals with dynamical optimal transport metrics defined by spatial discretisation of the Benamou–Benamou formula for the Kantorovich metric . Such metrics appear naturally in discretisations of -gradient flow formulations for dissipative PDE. However, it has recently been shown that these metrics do not in general converge to , unless strong geometric constraints are imposed on the discrete mesh. In this paper we prove that, in a 1-dimensional periodic setting, discrete transport metrics converge to a limiting transport metric with a non-trivial effective mobility. This mobility depends sensitively on the geometry of the mesh and on the non-local mobility at the discrete level. Our result quantifies to what extent discrete transport can make use of microstructure in the mesh to reduce the cost of transport.},
  author       = {Gladbach, Peter and Kopfer, Eva and Maas, Jan and Portinale, Lorenzo},
  issn         = {0021-7824},
  journal      = {Journal de Mathematiques Pures et Appliquees},
  number       = {7},
  pages        = {204--234},
  publisher    = {Elsevier},
  title        = {{Homogenisation of one-dimensional discrete optimal transport}},
  doi          = {10.1016/j.matpur.2020.02.008},
  volume       = {139},
  year         = {2020},
}

@article{9781,
  abstract     = {We consider the Pekar functional on a ball in ℝ3. We prove uniqueness of minimizers, and a quadratic lower bound in terms of the distance to the minimizer. The latter follows from nondegeneracy of the Hessian at the minimum.},
  author       = {Feliciangeli, Dario and Seiringer, Robert},
  issn         = {1095-7154},
  journal      = {SIAM Journal on Mathematical Analysis},
  keywords     = {Applied Mathematics, Computational Mathematics, Analysis},
  number       = {1},
  pages        = {605--622},
  publisher    = {Society for Industrial and Applied Mathematics },
  title        = {{Uniqueness and nondegeneracy of minimizers of the Pekar functional on a ball}},
  doi          = {10.1137/19m126284x},
  volume       = {52},
  year         = {2020},
}

@unpublished{10022,
  abstract     = {We consider finite-volume approximations of Fokker-Planck equations on bounded convex domains in R^d and study the corresponding gradient flow structures. We reprove the convergence of the discrete to continuous Fokker-Planck equation via the method of Evolutionary Γ-convergence, i.e., we pass to the limit at the level of the gradient flow structures, generalising the one-dimensional result obtained by Disser and Liero. The proof is of variational nature and relies on a Mosco convergence result for functionals in the discrete-to-continuum limit that is of independent interest. Our results apply to arbitrary regular meshes, even though the associated discrete transport distances may fail to converge to the Wasserstein distance in this generality.},
  author       = {Forkert, Dominik L and Maas, Jan and Portinale, Lorenzo},
  booktitle    = {arXiv},
  title        = {{Evolutionary Γ-convergence of entropic gradient flow structures for Fokker-Planck equations in multiple dimensions}},
  doi          = {10.48550/arXiv.2008.10962},
  year         = {2020},
}

@article{7489,
  abstract     = {In the present work, we consider the evolution of two fluids separated by a sharp interface in the presence of surface tension—like, for example, the evolution of oil bubbles in water. Our main result is a weak–strong uniqueness principle for the corresponding free boundary problem for the incompressible Navier–Stokes equation: as long as a strong solution exists, any varifold solution must coincide with it. In particular, in the absence of physical singularities, the concept of varifold solutions—whose global in time existence has been shown by Abels (Interfaces Free Bound 9(1):31–65, 2007) for general initial data—does not introduce a mechanism for non-uniqueness. The key ingredient of our approach is the construction of a relative entropy functional capable of controlling the interface error. If the viscosities of the two fluids do not coincide, even for classical (strong) solutions the gradient of the velocity field becomes discontinuous at the interface, introducing the need for a careful additional adaption of the relative entropy.},
  author       = {Fischer, Julian L and Hensel, Sebastian},
  issn         = {1432-0673},
  journal      = {Archive for Rational Mechanics and Analysis},
  pages        = {967--1087},
  publisher    = {Springer Nature},
  title        = {{Weak–strong uniqueness for the Navier–Stokes equation for two fluids with surface tension}},
  doi          = {10.1007/s00205-019-01486-2},
  volume       = {236},
  year         = {2020},
}

@unpublished{10012,
  abstract     = {We prove that in the absence of topological changes, the notion of BV solutions to planar multiphase mean curvature flow does not allow for a mechanism for (unphysical) non-uniqueness. Our approach is based on the local structure of the energy landscape near a classical evolution by mean curvature. Mean curvature flow being the gradient flow of the surface energy functional, we develop a gradient-flow analogue of the notion of calibrations. Just like the existence of a calibration guarantees that one has reached a global minimum in the energy landscape, the existence of a "gradient flow calibration" ensures that the route of steepest descent in the energy landscape is unique and stable.},
  author       = {Fischer, Julian L and Hensel, Sebastian and Laux, Tim and Simon, Thilo},
  booktitle    = {arXiv},
  title        = {{The local structure of the energy landscape in multiphase mean curvature flow: weak-strong uniqueness and stability of evolutions}},
  doi          = {10.48550/arXiv.2003.05478},
  year         = {2020},
}

@inproceedings{8703,
  abstract     = {Even though Delaunay originally introduced his famous triangulations in the case of infinite point sets with translational periodicity, a software that computes such triangulations in the general case is not yet available, to the best of our knowledge. Combining and generalizing previous work, we present a practical algorithm for computing such triangulations. The algorithm has been implemented and experiments show that its performance is as good as the one of the CGAL package, which is restricted to cubic periodicity. },
  author       = {Osang, Georg F and Rouxel-Labbé, Mael and Teillaud, Monique},
  booktitle    = {28th Annual European Symposium on Algorithms},
  isbn         = {9783959771627},
  issn         = {1868-8969},
  location     = {Virtual, Online; Pisa, Italy},
  publisher    = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik},
  title        = {{Generalizing CGAL periodic Delaunay triangulations}},
  doi          = {10.4230/LIPIcs.ESA.2020.75},
  volume       = {173},
  year         = {2020},
}

@inproceedings{7481,
  abstract     = {We address the following question:  How redundant is the parameterisation of ReLU networks? Specifically, we consider transformations of the weight space which leave the function implemented by the network intact.  Two such transformations are known for feed-forward architectures:  permutation of neurons within a layer, and positive scaling of all incoming weights of a neuron coupled with inverse scaling of its outgoing weights. In this work, we show for architectures with non-increasing widths that permutation and scaling are in fact the only function-preserving weight transformations.  For any eligible architecture we give an explicit construction of a neural network such that any other network that implements the same function can be obtained from the original one by the application of permutations and rescaling.  The proof relies on a geometric understanding of boundaries between linear regions of ReLU networks, and we hope the developed mathematical tools are of independent interest.},
  author       = {Bui Thi Mai, Phuong and Lampert, Christoph},
  booktitle    = {8th International Conference on Learning Representations},
  location     = {Online},
  title        = {{Functional vs. parametric equivalence of ReLU networks}},
  year         = {2020},
}

@phdthesis{7944,
  abstract     = {This thesis considers two examples of reconfiguration problems: flipping edges in edge-labelled triangulations of planar point sets and swapping labelled tokens placed on vertices of a graph. In both cases the studied structures – all the triangulations of a given point set or all token placements on a given graph – can be thought of as vertices of the so-called reconfiguration graph, in which two vertices are adjacent if the corresponding structures differ by a single elementary operation – by a flip of a diagonal in a triangulation or by a swap of tokens on adjacent vertices, respectively. We study the reconfiguration of one instance of a structure into another via (shortest) paths in the reconfiguration graph.

For triangulations of point sets in which each edge has a unique label and a flip transfers the label from the removed edge to the new edge, we prove a polynomial-time testable condition, called the Orbit Theorem, that characterizes when two triangulations of the same point set lie in the same connected component of the reconfiguration graph. The condition was first conjectured by Bose, Lubiw, Pathak and Verdonschot. We additionally provide a polynomial time algorithm that computes a reconfiguring flip sequence, if it exists. Our proof of the Orbit Theorem uses topological properties of a certain high-dimensional cell complex that has the usual reconfiguration graph as its 1-skeleton.

In the context of token swapping on a tree graph, we make partial progress on the problem of finding shortest reconfiguration sequences. We disprove the so-called Happy Leaf Conjecture and demonstrate the importance of swapping tokens that are already placed at the correct vertices. We also prove that a generalization of the problem to weighted coloured token swapping is NP-hard on trees but solvable in polynomial time on paths and stars.},
  author       = {Masárová, Zuzana},
  isbn         = {978-3-99078-005-3},
  issn         = {2663-337X},
  keywords     = {reconfiguration, reconfiguration graph, triangulations, flip, constrained triangulations, shellability, piecewise-linear balls, token swapping, trees, coloured weighted token swapping},
  pages        = {160},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Reconfiguration problems}},
  doi          = {10.15479/AT:ISTA:7944},
  year         = {2020},
}

@phdthesis{8574,
  abstract     = {This thesis concerns itself with the interactions of evolutionary and ecological forces and the consequences on genetic diversity and the ultimate survival of populations. It is important to understand what signals processes 
leave on the genome and what we can infer from such data, which is usually abundant but noisy. Furthermore, understanding how and when populations adapt or go extinct is important for practical purposes,  such as the genetic management of populations, as well as for theoretical questions, since local adaptation can be the first step toward speciation. 
In Chapter 2, we introduce the method of maximum entropy to approximate the demographic changes of a population in a simple setting, namely the logistic growth model with immigration. We show that this method is not only a powerful 
tool in physics but can be gainfully applied in an ecological framework. We investigate how well it approximates the real 
behavior of the system, and find that is does so, even in unexpected situations. Finally, we illustrate how it can model changing environments.
In Chapter 3, we analyze the co-evolution of allele frequencies and population sizes in an infinite island model.
We give conditions under which polygenic adaptation to a rare habitat is possible. The model we use is based on the diffusion approximation, considers eco-evolutionary feedback mechanisms (hard selection), and treats both 
drift and environmental fluctuations explicitly. We also look at limiting scenarios, for which we derive analytical expressions. 
In Chapter 4, we present a coalescent based simulation tool to obtain patterns of diversity in a spatially explicit subdivided population, in which the demographic history of each subpopulation can be specified. We compare 
the results to existing predictions, and explore the relative importance of time and space under a variety of spatial arrangements and demographic histories, such as expansion and extinction. 
In the last chapter, we give a brief outlook to further research. },
  author       = {Szep, Eniko},
  issn         = {2663-337X},
  pages        = {158},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Local adaptation in metapopulations}},
  doi          = {10.15479/AT:ISTA:8574},
  year         = {2020},
}

@phdthesis{7629,
  abstract     = {This thesis is based on three main topics: In the first part, we study convergence of discrete gradient flow structures associated with regular finite-volume discretisations of Fokker-Planck equations. We show evolutionary I convergence of the discrete gradient flows to the L2-Wasserstein gradient flow corresponding to the solution of a Fokker-Planck
equation in arbitrary dimension d >= 1. Along the argument, we prove Mosco- and I-convergence results for discrete energy functionals, which are of independent interest for convergence of equivalent gradient flow structures in Hilbert spaces.
The second part investigates L2-Wasserstein flows on metric graph. The starting point is a Benamou-Brenier formula for the L2-Wasserstein distance, which is proved via a regularisation scheme for solutions of the continuity equation, adapted to the peculiar geometric structure of metric graphs. Based on those results, we show that the L2-Wasserstein space over a metric graph admits a gradient flow which may be identified as a solution of a Fokker-Planck equation.
In the third part, we focus again on the discrete gradient flows, already encountered in the first part. We propose a variational structure which extends the gradient flow structure to Markov chains violating the detailed-balance conditions. Using this structure, we characterise contraction estimates for the discrete heat flow in terms of convexity of
corresponding path-dependent energy functionals. In addition, we use this approach to derive several functional inequalities for said functionals.},
  author       = {Forkert, Dominik L},
  issn         = {2663-337X},
  pages        = {154},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Gradient flows in spaces of probability measures for finite-volume schemes, metric graphs and non-reversible Markov chains}},
  doi          = {10.15479/AT:ISTA:7629},
  year         = {2020},
}

@phdthesis{8032,
  abstract     = {Algorithms in computational 3-manifold topology typically take a triangulation as an input and return topological information about the underlying 3-manifold. However, extracting the desired information from a triangulation (e.g., evaluating an invariant) is often computationally very expensive. In recent years this complexity barrier has been successfully tackled in some cases by importing ideas from the theory of parameterized algorithms into the realm of 3-manifolds. Various computationally hard problems were shown to be efficiently solvable for input triangulations that are sufficiently “tree-like.”
In this thesis we focus on the key combinatorial parameter in the above context: we consider the treewidth of a compact, orientable 3-manifold, i.e., the smallest treewidth of the dual graph of any triangulation thereof. By building on the work of Scharlemann–Thompson and Scharlemann–Schultens–Saito on generalized Heegaard splittings, and on the work of Jaco–Rubinstein on layered triangulations, we establish quantitative relations between the treewidth and classical topological invariants of a 3-manifold. In particular, among other results, we show that the treewidth of a closed, orientable, irreducible, non-Haken 3-manifold is always within a constant factor of its Heegaard genus.},
  author       = {Huszár, Kristóf},
  isbn         = {978-3-99078-006-0},
  issn         = {2663-337X},
  pages        = {xviii+120},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Combinatorial width parameters for 3-dimensional manifolds}},
  doi          = {10.15479/AT:ISTA:8032},
  year         = {2020},
}

@phdthesis{8353,
  abstract     = {Mrp (Multi resistance and pH adaptation) are broadly distributed secondary active antiporters that catalyze the transport of monovalent ions such as sodium and potassium outside of the cell coupled to the inward translocation of protons. Mrp antiporters are unique in a way that they are composed of seven subunits (MrpABCDEFG) encoded in a single operon, whereas other antiporters catalyzing the same reaction are mostly encoded by a single gene. Mrp exchangers are crucial for intracellular pH homeostasis and Na+ efflux, essential mechanisms for H+ uptake under alkaline environments and for reduction of the intracellular concentration of toxic cations. Mrp displays no homology to any other monovalent Na+(K+)/H+ antiporters but Mrp subunits have primary sequence similarity to essential redox-driven proton pumps, such as respiratory complex I and membrane-bound hydrogenases. This similarity reinforces the hypothesis that these present day redox-driven proton pumps are descended from the Mrp antiporter. The Mrp structure serves as a model to understand the yet obscure coupling mechanism between ion or electron transfer and proton translocation in this large group of proteins. In the thesis, I am presenting the purification, biochemical analysis, cryo-EM analysis and molecular structure of the Mrp complex from Anoxybacillus flavithermus solved by cryo-EM at 3.0 Å resolution. Numerous conditions were screened to purify Mrp to high homogeneity and to obtain an appropriate distribution of single particles on cryo-EM grids covered with a continuous layer of ultrathin carbon. A preferred particle orientation problem was solved by performing a tilted data collection. The activity assays showed the specific pH-dependent
profile of secondary active antiporters. The molecular structure shows that Mrp is a dimer of seven-subunit protomers with 50 trans-membrane helices each. The dimer interface is built by many short and tilted transmembrane helices, probably causing a thinning of the bacterial membrane. The surface charge distribution shows an extraordinary asymmetry within each monomer, revealing presumable proton and sodium translocation pathways. The two largest
and homologous Mrp subunits MrpA and MrpD probably translocate one proton each into the cell. The sodium ion is likely being translocated in the opposite direction within the small subunits along a ladder of charged and conserved residues. Based on the structure, we propose a mechanism were the antiport activity is accomplished via electrostatic interactions between the charged cations and key charged residues. The flexible key TM helices coordinate these
electrostatic interactions, while the membrane thinning between the monomers enables the translocation of sodium across the charged membrane. The entire family of redox-driven proton pumps is likely to perform their mechanism in a likewise manner.},
  author       = {Steiner, Julia},
  issn         = {2663-337X},
  pages        = {191},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Biochemical and structural investigation of the Mrp antiporter, an ancestor of complex I}},
  doi          = {10.15479/AT:ISTA:8353},
  year         = {2020},
}

@phdthesis{8332,
  abstract     = {Designing and verifying concurrent programs is a notoriously challenging, time consuming, and error prone task, even for experts. This is due to the sheer number of possible interleavings of a concurrent program, all of which have to be tracked and accounted for in a formal proof. Inventing an inductive invariant that captures all interleavings of a low-level implementation is theoretically possible, but practically intractable. We develop a refinement-based verification framework that provides mechanisms to simplify proof construction by decomposing the verification task into smaller subtasks.

In a first line of work, we present a foundation for refinement reasoning over structured concurrent programs. We introduce layered concurrent programs as a compact notation to represent multi-layer refinement proofs. A layered concurrent program specifies a sequence of connected concurrent programs, from most concrete to most abstract, such that common parts of different programs are written exactly once. Each program in this sequence is expressed as structured concurrent program, i.e., a program over (potentially recursive) procedures, imperative control flow, gated atomic actions, structured parallelism, and asynchronous concurrency. This is in contrast to existing refinement-based verifiers, which represent concurrent systems as flat transition relations. We present a powerful refinement proof rule that decomposes refinement checking over structured programs into modular verification conditions. Refinement checking is supported by a new form of modular, parameterized invariants, called yield invariants, and a linear permission system to enhance local reasoning.

In a second line of work, we present two new reduction-based program transformations that target asynchronous programs. These transformations reduce the number of interleavings that need to be considered, thus reducing the complexity of invariants. Synchronization simplifies the verification of asynchronous programs by introducing the fiction, for proof purposes, that asynchronous operations complete synchronously. Synchronization summarizes an asynchronous computation as immediate atomic effect. Inductive sequentialization establishes sequential reductions that captures every behavior of the original program up to reordering of coarse-grained commutative actions. A sequential reduction of a concurrent program is easy to reason about since it corresponds to a simple execution of the program in an idealized synchronous environment, where processes act in a fixed order and at the same speed.

Our approach is implemented the CIVL verifier, which has been successfully used for the verification of several complex concurrent programs. In our methodology, the overall correctness of a program is established piecemeal by focusing on the invariant required for each refinement step separately. While the programmer does the creative work of specifying the chain of programs and the inductive invariant justifying each link in the chain, the tool automatically constructs the verification conditions underlying each refinement step.},
  author       = {Kragl, Bernhard},
  issn         = {2663-337X},
  pages        = {120},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Verifying concurrent programs: Refinement, synchronization, sequentialization}},
  doi          = {10.15479/AT:ISTA:8332},
  year         = {2020},
}

@article{8284,
  abstract     = {Multiple resistance and pH adaptation (Mrp) antiporters are multi-subunit Na+ (or K+)/H+ exchangers representing an ancestor of many essential redox-driven proton pumps, such as respiratory complex I. The mechanism of coupling between ion or electron transfer and proton translocation in this large protein family is unknown. Here, we present the structure of the Mrp complex from Anoxybacillus flavithermus solved by cryo-EM at 3.0 Å resolution. It is a dimer of seven-subunit protomers with 50 trans-membrane helices each. Surface charge distribution within each monomer is remarkably asymmetric, revealing probable proton and sodium translocation pathways. On the basis of the structure we propose a mechanism where the coupling between sodium and proton translocation is facilitated by a series of electrostatic interactions between a cation and key charged residues. This mechanism is likely to be applicable to the entire family of redox proton pumps, where electron transfer to substrates replaces cation movements.},
  author       = {Steiner, Julia and Sazanov, Leonid A},
  issn         = {2050-084X},
  journal      = {eLife},
  publisher    = {eLife Sciences Publications},
  title        = {{Structure and mechanism of the Mrp complex, an ancient cation/proton antiporter}},
  doi          = {10.7554/eLife.59407},
  volume       = {9},
  year         = {2020},
}

@phdthesis{7460,
  abstract     = {Many methods for the reconstruction of shapes from sets of points produce ordered simplicial complexes, which are collections of vertices, edges, triangles, and their higher-dimensional analogues, called simplices, in which every simplex gets assigned a real value measuring its size. This thesis studies ordered simplicial complexes, with a focus on their topology, which reflects the connectedness of the represented shapes and the presence of holes. We are interested both in understanding better the structure of these complexes, as well as in developing algorithms for applications.

For the Delaunay triangulation, the most popular measure for a simplex is the radius of the smallest empty circumsphere. Based on it, we revisit Alpha and Wrap complexes and experimentally determine their probabilistic properties for random data. Also, we prove the existence of tri-partitions, propose algorithms to open and close holes, and extend the concepts from Euclidean to Bregman geometries.},
  author       = {Ölsböck, Katharina},
  issn         = {2663-337X},
  keywords     = {shape reconstruction, hole manipulation, ordered complexes, Alpha complex, Wrap complex, computational topology, Bregman geometry},
  pages        = {155},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{The hole system of triangulated shapes}},
  doi          = {10.15479/AT:ISTA:7460},
  year         = {2020},
}

@inproceedings{8195,
  abstract     = {This paper presents a foundation for refining concurrent programs with structured control flow. The verification problem is decomposed into subproblems that aid interactive program development, proof reuse, and automation. The formalization in this paper is the basis of a new design and implementation of the Civl verifier.},
  author       = {Kragl, Bernhard and Qadeer, Shaz and Henzinger, Thomas A},
  booktitle    = {Computer Aided Verification},
  isbn         = {9783030532871},
  issn         = {1611-3349},
  pages        = {275--298},
  publisher    = {Springer Nature},
  title        = {{Refinement for structured concurrent programs}},
  doi          = {10.1007/978-3-030-53288-8_14},
  volume       = {12224},
  year         = {2020},
}

