A cascade Suzuki–Miyaura cross-coupling between two non-symmetrical coupling partners gave rise to 9,10-dihydrophenanthrenes with full site-selectivity. The choice of base was critical to facilitate the challenging coupling of the secondary boronate group.
}, author = {Willems, Suzanne and Toupalas, Georgios and Reisenbauer, Julia and Morandi, Bill}, issn = {1364-548X}, journal = {Chemical Communications}, number = {32}, pages = {3909--3912}, publisher = {Royal Society of Chemistry}, title = {{A site-selective and stereospecific cascade Suzuki–Miyaura annulation of alkyl 1,2-bisboronic esters and 2,2′-dihalo 1,1′-biaryls}}, doi = {10.1039/d1cc00648g}, volume = {57}, year = {2021}, } @article{10000, abstract = {Inhibition or targeted deletion of histone deacetylase 3 (HDAC3) is neuroprotective in a variety neurodegenerative conditions, including retinal ganglion cells (RGCs) after acute optic nerve damage. Consistent with this, induced HDAC3 expression in cultured cells shows selective toxicity to neurons. Despite an established role for HDAC3 in neuronal pathology, little is known regarding the mechanism of this pathology.}, author = {Schmitt, Heather M. and Fehrman, Rachel L. and Maes, Margaret E and Yang, Huan and Guo, Lian Wang and Schlamp, Cassandra L. and Pelzel, Heather R. and Nickells, Robert W.}, issn = {1552-5783}, journal = {Investigative Ophthalmology and Visual Science}, number = {10}, publisher = {Association for Research in Vision and Ophthalmology}, title = {{Increased susceptibility and intrinsic apoptotic signaling in neurons by induced HDAC3 expression}}, doi = {10.1167/IOVS.62.10.14}, volume = {62}, year = {2021}, } @inproceedings{10002, abstract = {We present a faster symbolic algorithm for the following central problem in probabilistic verification: Compute the maximal end-component (MEC) decomposition of Markov decision processes (MDPs). This problem generalizes the SCC decomposition problem of graphs and closed recurrent sets of Markov chains. The model of symbolic algorithms is widely used in formal verification and model-checking, where access to the input model is restricted to only symbolic operations (e.g., basic set operations and computation of one-step neighborhood). For an input MDP with n vertices and m edges, the classical symbolic algorithm from the 1990s for the MEC decomposition requires O(n2) symbolic operations and O(1) symbolic space. The only other symbolic algorithm for the MEC decomposition requires O(nm−−√) symbolic operations and O(m−−√) symbolic space. A main open question is whether the worst-case O(n2) bound for symbolic operations can be beaten. We present a symbolic algorithm that requires O˜(n1.5) symbolic operations and O˜(n−−√) symbolic space. Moreover, the parametrization of our algorithm provides a trade-off between symbolic operations and symbolic space: for all 0<ϵ≤1/2 the symbolic algorithm requires O˜(n2−ϵ) symbolic operations and O˜(nϵ) symbolic space ( O˜ hides poly-logarithmic factors). Using our techniques we present faster algorithms for computing the almost-sure winning regions of ω -regular objectives for MDPs. We consider the canonical parity objectives for ω -regular objectives, and for parity objectives with d -priorities we present an algorithm that computes the almost-sure winning region with O˜(n2−ϵ) symbolic operations and O˜(nϵ) symbolic space, for all 0<ϵ≤1/2 .}, author = {Chatterjee, Krishnendu and Dvorak, Wolfgang and Henzinger, Monika H and Svozil, Alexander}, booktitle = {Proceedings of the 36th Annual ACM/IEEE Symposium on Logic in Computer Science}, isbn = {978-1-6654-4896-3}, issn = {1043-6871}, keywords = {Computer science, Computational modeling, Markov processes, Probabilistic logic, Formal verification, Game Theory}, location = {Rome, Italy}, pages = {1--13}, publisher = {Institute of Electrical and Electronics Engineers}, title = {{Symbolic time and space tradeoffs for probabilistic verification}}, doi = {10.1109/LICS52264.2021.9470739}, year = {2021}, } @inproceedings{10004, abstract = {Markov chains are the de facto finite-state model for stochastic dynamical systems, and Markov decision processes (MDPs) extend Markov chains by incorporating non-deterministic behaviors. Given an MDP and rewards on states, a classical optimization criterion is the maximal expected total reward where the MDP stops after T steps, which can be computed by a simple dynamic programming algorithm. We consider a natural generalization of the problem where the stopping times can be chosen according to a probability distribution, such that the expected stopping time is T, to optimize the expected total reward. Quite surprisingly we establish inter-reducibility of the expected stopping-time problem for Markov chains with the Positivity problem (which is related to the well-known Skolem problem), for which establishing either decidability or undecidability would be a major breakthrough. Given the hardness of the exact problem, we consider the approximate version of the problem: we show that it can be solved in exponential time for Markov chains and in exponential space for MDPs.}, author = {Chatterjee, Krishnendu and Doyen, Laurent}, booktitle = {Proceedings of the 36th Annual ACM/IEEE Symposium on Logic in Computer Science}, isbn = {978-1-6654-4896-3}, issn = {1043-6871}, keywords = {Computer science, Heuristic algorithms, Memory management, Automata, Markov processes, Probability distribution, Complexity theory}, location = {Rome, Italy}, pages = {1--13}, publisher = {Institute of Electrical and Electronics Engineers}, title = {{Stochastic processes with expected stopping time}}, doi = {10.1109/LICS52264.2021.9470595}, year = {2021}, } @article{10005, abstract = {We study systems of nonlinear partial differential equations of parabolic type, in which the elliptic operator is replaced by the first-order divergence operator acting on a flux function, which is related to the spatial gradient of the unknown through an additional implicit equation. This setting, broad enough in terms of applications, significantly expands the paradigm of nonlinear parabolic problems. Formulating four conditions concerning the form of the implicit equation, we first show that these conditions describe a maximal monotone p-coercive graph. We then establish the global-in-time and large-data existence of a (weak) solution and its uniqueness. To this end, we adopt and significantly generalize Minty’s method of monotone mappings. A unified theory, containing several novel tools, is developed in a way to be tractable from the point of view of numerical approximations.}, author = {Bulíček, Miroslav and Maringová, Erika and Málek, Josef}, issn = {1793-6314}, journal = {Mathematical Models and Methods in Applied Sciences}, keywords = {Nonlinear parabolic systems, implicit constitutive theory, weak solutions, existence, uniqueness}, number = {09}, publisher = {World Scientific Publishing}, title = {{On nonlinear problems of parabolic type with implicit constitutive equations involving flux}}, doi = {10.1142/S0218202521500457}, volume = {31}, year = {2021}, } @phdthesis{10007, abstract = {The present thesis is concerned with the derivation of weak-strong uniqueness principles for curvature driven interface evolution problems not satisfying a comparison principle. The specific examples being treated are two-phase Navier-Stokes flow with surface tension, modeling the evolution of two incompressible, viscous and immiscible fluids separated by a sharp interface, and multiphase mean curvature flow, which serves as an idealized model for the motion of grain boundaries in an annealing polycrystalline material. Our main results - obtained in joint works with Julian Fischer, Tim Laux and Theresa M. Simon - state that prior to the formation of geometric singularities due to topology changes, the weak solution concept of Abels (Interfaces Free Bound. 9, 2007) to two-phase Navier-Stokes flow with surface tension and the weak solution concept of Laux and Otto (Calc. Var. Partial Differential Equations 55, 2016) to multiphase mean curvature flow (for networks in R^2 or double bubbles in R^3) represents the unique solution to these interface evolution problems within the class of classical solutions, respectively. To the best of the author's knowledge, for interface evolution problems not admitting a geometric comparison principle the derivation of a weak-strong uniqueness principle represented an open problem, so that the works contained in the present thesis constitute the first positive results in this direction. The key ingredient of our approach consists of the introduction of a novel concept of relative entropies for a class of curvature driven interface evolution problems, for which the associated energy contains an interfacial contribution being proportional to the surface area of the evolving (network of) interface(s). The interfacial part of the relative entropy gives sufficient control on the interface error between a weak and a classical solution, and its time evolution can be computed, at least in principle, for any energy dissipating weak solution concept. A resulting stability estimate for the relative entropy essentially entails the above mentioned weak-strong uniqueness principles. The present thesis contains a detailed introduction to our relative entropy approach, which in particular highlights potential applications to other problems in curvature driven interface evolution not treated in this thesis.}, author = {Hensel, Sebastian}, issn = {2663-337X}, pages = {300}, publisher = {Institute of Science and Technology Austria}, title = {{Curvature driven interface evolution: Uniqueness properties of weak solution concepts}}, doi = {10.15479/at:ista:10007}, year = {2021}, } @unpublished{10013, abstract = {We derive a weak-strong uniqueness principle for BV solutions to multiphase mean curvature flow of triple line clusters in three dimensions. Our proof is based on the explicit construction of a gradient-flow calibration in the sense of the recent work of Fischer et al. [arXiv:2003.05478] for any such cluster. This extends the two-dimensional construction to the three-dimensional case of surfaces meeting along triple junctions.}, author = {Hensel, Sebastian and Laux, Tim}, booktitle = {arXiv}, title = {{Weak-strong uniqueness for the mean curvature flow of double bubbles}}, doi = {10.48550/arXiv.2108.01733}, year = {2021}, } @article{10023, abstract = {We study the temporal dissipation of variance and relative entropy for ergodic Markov Chains in continuous time, and compute explicitly the corresponding dissipation rates. These are identified, as is well known, in the case of the variance in terms of an appropriate Hilbertian norm; and in the case of the relative entropy, in terms of a Dirichlet form which morphs into a version of the familiar Fisher information under conditions of detailed balance. Here we obtain trajectorial versions of these results, valid along almost every path of the random motion and most transparent in the backwards direction of time. Martingale arguments and time reversal play crucial roles, as in the recent work of Karatzas, Schachermayer and Tschiderer for conservative diffusions. Extensions are developed to general “convex divergences” and to countable state-spaces. The steepest descent and gradient flow properties for the variance, the relative entropy, and appropriate generalizations, are studied along with their respective geometries under conditions of detailed balance, leading to a very direct proof for the HWI inequality of Otto and Villani in the present context.}, author = {Karatzas, Ioannis and Maas, Jan and Schachermayer, Walter}, issn = {1526-7555}, journal = {Communications in Information and Systems}, keywords = {Markov Chain, relative entropy, time reversal, steepest descent, gradient flow}, number = {4}, pages = {481--536}, publisher = {International Press}, title = {{Trajectorial dissipation and gradient flow for the relative entropy in Markov chains}}, doi = {10.4310/CIS.2021.v21.n4.a1}, volume = {21}, year = {2021}, } @article{10024, abstract = {In this paper, we introduce a random environment for the exclusion process in obtained by assigning a maximal occupancy to each site. This maximal occupancy is allowed to randomly vary among sites, and partial exclusion occurs. Under the assumption of ergodicity under translation and uniform ellipticity of the environment, we derive a quenched hydrodynamic limit in path space by strengthening the mild solution approach initiated in Nagy (2002) and Faggionato (2007). To this purpose, we prove, employing the technology developed for the random conductance model, a homogenization result in the form of an arbitrary starting point quenched invariance principle for a single particle in the same environment, which is a result of independent interest. The self-duality property of the partial exclusion process allows us to transfer this homogenization result to the particle system and, then, apply the tightness criterion in Redig et al. (2020).}, author = {Floreani, Simone and Redig, Frank and Sau, Federico}, issn = {0304-4149}, journal = {Stochastic Processes and their Applications}, keywords = {hydrodynamic limit, random environment, random conductance model, arbitrary starting point quenched invariance principle, duality, mild solution}, pages = {124--158}, publisher = {Elsevier}, title = {{Hydrodynamics for the partial exclusion process in random environment}}, doi = {10.1016/j.spa.2021.08.006}, volume = {142}, year = {2021}, } @article{10025, abstract = {Ferromagnetism is most common in transition metal compounds but may also arise in low-density two-dimensional electron systems, with signatures observed in silicon, III-V semiconductor systems, and graphene moiré heterostructures. Here we show that gate-tuned van Hove singularities in rhombohedral trilayer graphene drive the spontaneous ferromagnetic polarization of the electron system into one or more spin- and valley flavors. Using capacitance measurements on graphite-gated van der Waals heterostructures, we find a cascade of density- and electronic displacement field tuned phase transitions marked by negative electronic compressibility. The transitions define the boundaries between phases where quantum oscillations have either four-fold, two-fold, or one-fold degeneracy, associated with a spin and valley degenerate normal metal, spin-polarized `half-metal', and spin and valley polarized `quarter metal', respectively. For electron doping, the salient features are well captured by a phenomenological Stoner model with a valley-anisotropic Hund's coupling, likely arising from interactions at the lattice scale. For hole filling, we observe a richer phase diagram featuring a delicate interplay of broken symmetries and transitions in the Fermi surface topology. Finally, by rotational alignment of a hexagonal boron nitride substrate to induce a moiré superlattice, we find that the superlattice perturbs the preexisting isospin order only weakly, leaving the basic phase diagram intact while catalyzing the formation of topologically nontrivial gapped states whenever itinerant half- or quarter metal states occur at half- or quarter superlattice band filling. Our results show that rhombohedral trilayer graphene is an ideal platform for well-controlled tests of many-body theory and reveal magnetism in moiré materials to be fundamentally itinerant in nature.}, author = {Zhou, Haoxin and Xie, Tian and Ghazaryan, Areg and Holder, Tobias and Ehrets, James R. and Spanton, Eric M. and Taniguchi, Takashi and Watanabe, Kenji and Berg, Erez and Serbyn, Maksym and Young, Andrea F.}, issn = {1476-4687}, journal = {Nature}, keywords = {condensed matter - mesoscale and nanoscale physics, condensed matter - strongly correlated electrons, multidisciplinary}, publisher = {Springer Nature}, title = {{Half and quarter metals in rhombohedral trilayer graphene}}, doi = {10.1038/s41586-021-03938-w}, year = {2021}, } @unpublished{10029, abstract = {Superconductor-semiconductor hybrids are platforms for realizing effective p-wave superconductivity. Spin-orbit coupling, combined with the proximity effect, causes the two-dimensional semiconductor to inherit p±ip intraband pairing, and application of magnetic field can then result in transitions to the normal state, partial Bogoliubov Fermi surfaces, or topological phases with Majorana modes. Experimentally probing the hybrid superconductor-semiconductor interface is challenging due to the shunting effect of the conventional superconductor. Consequently, the nature of induced pairing remains an open question. Here, we use the circuit quantum electrodynamics architecture to probe induced superconductivity in a two dimensional Al-InAs hybrid system. We observe a strong suppression of superfluid density and enhanced dissipation driven by magnetic field, which cannot be accounted for by the depairing theory of an s-wave superconductor. These observations are explained by a picture of independent intraband p±ip superconductors giving way to partial Bogoliubov Fermi surfaces, and allow for the first characterization of key properties of the hybrid superconducting system.}, author = {Phan, Duc T and Senior, Jorden L and Ghazaryan, Areg and Hatefipour, M. and Strickland, W. M. and Shabani, J. and Serbyn, Maksym and Higginbotham, Andrew P}, booktitle = {arXiv}, title = {{Breakdown of induced p±ip pairing in a superconductor-semiconductor hybrid}}, doi = {10.48550/arXiv.2107.03695}, year = {2021}, } @phdthesis{10030, abstract = {This PhD thesis is primarily focused on the study of discrete transport problems, introduced for the first time in the seminal works of Maas [Maa11] and Mielke [Mie11] on finite state Markov chains and reaction-diffusion equations, respectively. More in detail, my research focuses on the study of transport costs on graphs, in particular the convergence and the stability of such problems in the discrete-to-continuum limit. This thesis also includes some results concerning non-commutative optimal transport. The first chapter of this thesis consists of a general introduction to the optimal transport problems, both in the discrete, the continuous, and the non-commutative setting. Chapters 2 and 3 present the content of two works, obtained in collaboration with Peter Gladbach, Eva Kopfer, and Jan Maas, where we have been able to show the convergence of discrete transport costs on periodic graphs to suitable continuous ones, which can be described by means of a homogenisation result. We first focus on the particular case of quadratic costs on the real line and then extending the result to more general costs in arbitrary dimension. Our results are the first complete characterisation of limits of transport costs on periodic graphs in arbitrary dimension which do not rely on any additional symmetry. In Chapter 4 we turn our attention to one of the intriguing connection between evolution equations and optimal transport, represented by the theory of gradient flows. We show that discrete gradient flow structures associated to a finite volume approximation of a certain class of diffusive equations (Fokker–Planck) is stable in the limit of vanishing meshes, reproving the convergence of the scheme via the method of evolutionary Γ-convergence and exploiting a more variational point of view on the problem. This is based on a collaboration with Dominik Forkert and Jan Maas. Chapter 5 represents a change of perspective, moving away from the discrete world and reaching the non-commutative one. As in the discrete case, we discuss how classical tools coming from the commutative optimal transport can be translated into the setting of density matrices. In particular, in this final chapter we present a non-commutative version of the Schrödinger problem (or entropic regularised optimal transport problem) and discuss existence and characterisation of minimisers, a duality result, and present a non-commutative version of the well-known Sinkhorn algorithm to compute the above mentioned optimisers. This is based on a joint work with Dario Feliciangeli and Augusto Gerolin. Finally, Appendix A and B contain some additional material and discussions, with particular attention to Harnack inequalities and the regularity of flows on discrete spaces.}, author = {Portinale, Lorenzo}, issn = {2663-337X}, publisher = {Institute of Science and Technology Austria}, title = {{Discrete-to-continuum limits of transport problems and gradient flows in the space of measures}}, doi = {10.15479/at:ista:10030}, year = {2021}, } @article{10033, abstract = {The ⊗*-monoidal structure on the category of sheaves on the Ran space is not pro-nilpotent in the sense of [3]. However, under some connectivity assumptions, we prove that Koszul duality induces an equivalence of categories and that this equivalence behaves nicely with respect to Verdier duality on the Ran space and integrating along the Ran space, i.e. taking factorization homology. Based on ideas sketched in [4], we show that these results also offer a simpler alternative to one of the two main steps in the proof of the Atiyah-Bott formula given in [7] and [5].}, author = {Ho, Quoc P}, issn = {1090-2082}, journal = {Advances in Mathematics}, keywords = {Chiral algebras, Chiral homology, Factorization algebras, Koszul duality, Ran space}, publisher = {Elsevier}, title = {{The Atiyah-Bott formula and connectivity in chiral Koszul duality}}, doi = {10.1016/j.aim.2021.107992}, volume = {392}, year = {2021}, }