TY - CHAP AB - Image translation refers to the task of mapping images from a visual domain to another. Given two unpaired collections of images, we aim to learn a mapping between the corpus-level style of each collection, while preserving semantic content shared across the two domains. We introduce xgan, a dual adversarial auto-encoder, which captures a shared representation of the common domain semantic content in an unsupervised way, while jointly learning the domain-to-domain image translations in both directions. We exploit ideas from the domain adaptation literature and define a semantic consistency loss which encourages the learned embedding to preserve semantics shared across domains. We report promising qualitative results for the task of face-to-cartoon translation. The cartoon dataset we collected for this purpose, “CartoonSet”, is also publicly available as a new benchmark for semantic style transfer at https://google.github.io/cartoonset/index.html. AU - Royer, Amélie AU - Bousmalis, Konstantinos AU - Gouws, Stephan AU - Bertsch, Fred AU - Mosseri, Inbar AU - Cole, Forrester AU - Murphy, Kevin ED - Singh, Richa ED - Vatsa, Mayank ED - Patel, Vishal M. ED - Ratha, Nalini ID - 8092 SN - 9783030306717 T2 - Domain Adaptation for Visual Understanding TI - XGAN: Unsupervised image-to-image translation for many-to-many mappings ER - TY - THES AB - 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. AU - Masárová, Zuzana ID - 7944 KW - reconfiguration KW - reconfiguration graph KW - triangulations KW - flip KW - constrained triangulations KW - shellability KW - piecewise-linear balls KW - token swapping KW - trees KW - coloured weighted token swapping SN - 2663-337X TI - Reconfiguration problems ER - TY - JOUR AB - Inspired by the possibility to experimentally manipulate and enhance chemical reactivity in helium nanodroplets, we investigate the effective interaction and the resulting correlations between two diatomic molecules immersed in a bath of bosons. By analogy with the bipolaron, we introduce the biangulon quasiparticle describing two rotating molecules that align with respect to each other due to the effective attractive interaction mediated by the excitations of the bath. We study this system in different parameter regimes and apply several theoretical approaches to describe its properties. Using a Born–Oppenheimer approximation, we investigate the dependence of the effective intermolecular interaction on the rotational state of the two molecules. In the strong-coupling regime, a product-state ansatz shows that the molecules tend to have a strong alignment in the ground state. To investigate the system in the weak-coupling regime, we apply a one-phonon excitation variational ansatz, which allows us to access the energy spectrum. In comparison to the angulon quasiparticle, the biangulon shows shifted angulon instabilities and an additional spectral instability, where resonant angular momentum transfer between the molecules and the bath takes place. These features are proposed as an experimentally observable signature for the formation of the biangulon quasiparticle. Finally, by using products of single angulon and bare impurity wave functions as basis states, we introduce a diagonalization scheme that allows us to describe the transition from two separated angulons to a biangulon as a function of the distance between the two molecules. AU - Li, Xiang AU - Yakaboylu, Enderalp AU - Bighin, Giacomo AU - Schmidt, Richard AU - Lemeshko, Mikhail AU - Deuchert, Andreas ID - 8587 IS - 16 JF - The Journal of Chemical Physics KW - Physical and Theoretical Chemistry KW - General Physics and Astronomy SN - 0021-9606 TI - Intermolecular forces and correlations mediated by a phonon bath VL - 152 ER - TY - THES AB - One of the most striking hallmarks of the eukaryotic cell is the presence of intracellular vesicles and organelles. Each of these membrane-enclosed compartments has a distinct composition of lipids and proteins, which is essential for accurate membrane traffic and homeostasis. Interestingly, their biochemical identities are achieved with the help of small GTPases of the Rab family, which cycle between GDP- and GTP-bound forms on the selected membrane surface. While this activity switch is well understood for an individual protein, how Rab GTPases collectively transition between states to generate decisive signal propagation in space and time is unclear. In my PhD thesis, I present in vitro reconstitution experiments with theoretical modeling to systematically study a minimal Rab5 activation network from bottom-up. We find that positive feedback based on known molecular interactions gives rise to bistable GTPase activity switching on system’s scale. Furthermore, we determine that collective transition near the critical point is intrinsically stochastic and provide evidence that the inactive Rab5 abundance on the membrane can shape the network response. Finally, we demonstrate that collective switching can spread on the lipid bilayer as a traveling activation wave, representing a possible emergent activity pattern in endosomal maturation. Together, our findings reveal new insights into the self-organization properties of signaling networks away from chemical equilibrium. Our work highlights the importance of systematic characterization of biochemical systems in well-defined physiological conditions. This way, we were able to answer long-standing open questions in the field and close the gap between regulatory processes on a molecular scale and emergent responses on system’s level. AU - Bezeljak, Urban ID - 8341 SN - 2663-337X TI - In vitro reconstitution of a Rab activation switch ER - TY - JOUR AB - The eukaryotic endomembrane system is controlled by small GTPases of the Rab family, which are activated at defined times and locations in a switch-like manner. While this switch is well understood for an individual protein, how regulatory networks produce intracellular activity patterns is currently not known. Here, we combine in vitro reconstitution experiments with computational modeling to study a minimal Rab5 activation network. We find that the molecular interactions in this system give rise to a positive feedback and bistable collective switching of Rab5. Furthermore, we find that switching near the critical point is intrinsically stochastic and provide evidence that controlling the inactive population of Rab5 on the membrane can shape the network response. Notably, we demonstrate that collective switching can spread on the membrane surface as a traveling wave of Rab5 activation. Together, our findings reveal how biochemical signaling networks control vesicle trafficking pathways and how their nonequilibrium properties define the spatiotemporal organization of the cell. AU - Bezeljak, Urban AU - Loya, Hrushikesh AU - Kaczmarek, Beata M AU - Saunders, Timothy E. AU - Loose, Martin ID - 7580 IS - 12 JF - Proceedings of the National Academy of Sciences SN - 0027-8424 TI - Stochastic activation and bistability in a Rab GTPase regulatory network VL - 117 ER - TY - THES AB - 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. AU - Huszár, Kristóf ID - 8032 SN - 2663-337X TI - Combinatorial width parameters for 3-dimensional manifolds ER - TY - CONF AB - 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. AU - Kragl, Bernhard AU - Qadeer, Shaz AU - Henzinger, Thomas A ID - 8195 SN - 0302-9743 T2 - Computer Aided Verification TI - Refinement for structured concurrent programs VL - 12224 ER - TY - CONF AB - Asynchronous programs are notoriously difficult to reason about because they spawn computation tasks which take effect asynchronously in a nondeterministic way. Devising inductive invariants for such programs requires understanding and stating complex relationships between an unbounded number of computation tasks in arbitrarily long executions. In this paper, we introduce inductive sequentialization, a new proof rule that sidesteps this complexity via a sequential reduction, a sequential program 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. We have implemented and integrated our proof rule in the CIVL verifier, allowing us to provably derive fine-grained implementations of asynchronous programs. We have successfully applied our proof rule to a diverse set of message-passing protocols, including leader election protocols, two-phase commit, and Paxos. AU - Kragl, Bernhard AU - Enea, Constantin AU - Henzinger, Thomas A AU - Mutluergil, Suha Orhun AU - Qadeer, Shaz ID - 8012 SN - 9781450376136 T2 - Proceedings of the 41st ACM SIGPLAN Conference on Programming Language Design and Implementation TI - Inductive sequentialization of asynchronous programs ER - TY - THES AB - During bacterial cell division, the tubulin-homolog FtsZ forms a ring-like structure at the center of the cell. This so-called Z-ring acts as a scaffold recruiting several division-related proteins to mid-cell and plays a key role in distributing proteins at the division site, a feature driven by the treadmilling motion of FtsZ filaments around the septum. What regulates the architecture, dynamics and stability of the Z-ring is still poorly understood, but FtsZ-associated proteins (Zaps) are known to play an important role. Advances in fluorescence microscopy and in vitro reconstitution experiments have helped to shed light into some of the dynamic properties of these complex systems, but methods that allow to collect and analyze large quantitative data sets of the underlying polymer dynamics are still missing. Here, using an in vitro reconstitution approach, we studied how different Zaps affect FtsZ filament dynamics and organization into large-scale patterns, giving special emphasis to the role of the well-conserved protein ZapA. For this purpose, we use high-resolution fluorescence microscopy combined with novel image analysis workfows to study pattern organization and polymerization dynamics of active filaments. We quantified the influence of Zaps on FtsZ on three diferent spatial scales: the large-scale organization of the membrane-bound filament network, the underlying polymerization dynamics and the behavior of single molecules. We found that ZapA cooperatively increases the spatial order of the filament network, binds only transiently to FtsZ filaments and has no effect on filament length and treadmilling velocity. Our data provides a model for how FtsZ-associated proteins can increase the precision and stability of the bacterial cell division machinery in a switch-like manner, without compromising filament dynamics. Furthermore, we believe that our automated quantitative methods can be used to analyze a large variety of dynamic cytoskeletal systems, using standard time-lapse movies of homogeneously labeled proteins obtained from experiments in vitro or even inside the living cell. AU - Dos Santos Caldas, Paulo R ID - 8358 SN - 2663-337X TI - Organization and dynamics of treadmilling filaments in cytoskeletal networks of FtsZ and its crosslinkers ER - TY - CONF AB - 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. AU - Osang, Georg F AU - Rouxel-Labbé, Mael AU - Teillaud, Monique ID - 8703 SN - 18688969 T2 - 28th Annual European Symposium on Algorithms TI - Generalizing CGAL periodic Delaunay triangulations VL - 173 ER - TY - CONF AB - 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. AU - Bui Thi Mai, Phuong AU - Lampert, Christoph ID - 7481 T2 - 8th International Conference on Learning Representations TI - Functional vs. parametric equivalence of ReLU networks ER - TY - JOUR AB - 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. AU - Feliciangeli, Dario AU - Seiringer, Robert ID - 9781 IS - 1 JF - SIAM Journal on Mathematical Analysis KW - Applied Mathematics KW - Computational Mathematics KW - Analysis SN - 0036-1410 TI - Uniqueness and nondegeneracy of minimizers of the Pekar functional on a ball VL - 52 ER - TY - JOUR AB - 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. AU - Fischer, Julian L AU - Hensel, Sebastian ID - 7489 JF - Archive for Rational Mechanics and Analysis SN - 00039527 TI - Weak–strong uniqueness for the Navier–Stokes equation for two fluids with surface tension VL - 236 ER - TY - GEN AB - 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. AU - Fischer, Julian L AU - Hensel, Sebastian AU - Laux, Tim AU - Simon, Thilo ID - 10012 T2 - arXiv TI - The local structure of the energy landscape in multiphase mean curvature flow: weak-strong uniqueness and stability of evolutions ER - TY - JOUR AB - The superconducting circuit community has recently discovered the promising potential of superinductors. These circuit elements have a characteristic impedance exceeding the resistance quantum RQ ≈ 6.45 kΩ which leads to a suppression of ground state charge fluctuations. Applications include the realization of hardware protected qubits for fault tolerant quantum computing, improved coupling to small dipole moment objects and defining a new quantum metrology standard for the ampere. In this work we refute the widespread notion that superinductors can only be implemented based on kinetic inductance, i.e. using disordered superconductors or Josephson junction arrays. We present modeling, fabrication and characterization of 104 planar aluminum coil resonators with a characteristic impedance up to 30.9 kΩ at 5.6 GHz and a capacitance down to ≤ 1 fF, with lowloss and a power handling reaching 108 intra-cavity photons. Geometric superinductors are free of uncontrolled tunneling events and offer high reproducibility, linearity and the ability to couple magnetically - properties that significantly broaden the scope of future quantum circuits. AU - Peruzzo, Matilda AU - Trioni, Andrea AU - Hassani, Farid AU - Zemlicka, Martin AU - Fink, Johannes M ID - 8755 IS - 4 JF - Physical Review Applied TI - Surpassing the resistance quantum with a geometric superinductor VL - 14 ER - TY - JOUR AB - 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. AU - Gladbach, Peter AU - Kopfer, Eva AU - Maas, Jan AU - Portinale, Lorenzo ID - 7573 IS - 7 JF - Journal de Mathematiques Pures et Appliquees SN - 00217824 TI - Homogenisation of one-dimensional discrete optimal transport VL - 139 ER - TY - GEN AB - 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. AU - Forkert, Dominik L AU - Maas, Jan AU - Portinale, Lorenzo ID - 10022 T2 - arXiv TI - Evolutionary Γ-convergence of entropic gradient flow structures for Fokker-Planck equations in multiple dimensions ER - TY - CONF AB - 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. AU - Konstantinov, Nikola H AU - Frantar, Elias AU - Alistarh, Dan-Adrian AU - Lampert, Christoph ID - 8724 SN - 2640-3498 T2 - Proceedings of the 37th International Conference on Machine Learning TI - On the sample complexity of adversarial multi-source PAC learning VL - 119 ER - TY - JOUR AB - 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. AU - Rzadkowski, Wojciech AU - Defenu, N AU - Chiacchiera, S AU - Trombettoni, A AU - Bighin, Giacomo ID - 8644 IS - 9 JF - New Journal of Physics SN - 13672630 TI - Detecting composite orders in layered models via machine learning VL - 22 ER - TY - JOUR AB - We consider the quantum mechanical many-body problem of a single impurity particle immersed in a weakly interacting Bose gas. The impurity interacts with the bosons via a two-body potential. We study the Hamiltonian of this system in the mean-field limit and rigorously show that, at low energies, the problem is well described by the Fröhlich polaron model. AU - Mysliwy, Krzysztof AU - Seiringer, Robert ID - 8705 IS - 12 JF - Annales Henri Poincare SN - 1424-0637 TI - Microscopic derivation of the Fröhlich Hamiltonian for the Bose polaron in the mean-field limit VL - 21 ER - TY - JOUR AB - We introduce in this paper AMT2.0, a tool for qualitative and quantitative analysis of hybrid continuous and Boolean signals that combine numerical values and discrete events. The evaluation of the signals is based on rich temporal specifications expressed in extended signal temporal logic, which integrates timed regular expressions within signal temporal logic. The tool features qualitative monitoring (property satisfaction checking), trace diagnostics for explaining and justifying property violations and specification-driven measurement of quantitative features of the signal. We demonstrate the tool functionality on several running examples and case studies, and evaluate its performance. AU - Nickovic, Dejan AU - Lebeltel, Olivier AU - Maler, Oded AU - Ferrere, Thomas AU - Ulus, Dogan ID - 10861 IS - 6 JF - International Journal on Software Tools for Technology Transfer KW - Information Systems KW - Software SN - 1433-2779 TI - AMT 2.0: Qualitative and quantitative trace analysis with extended signal temporal logic VL - 22 ER - TY - JOUR AB - Motivation: Recent technological advances have led to an increase in the production and availability of single-cell data. The ability to integrate a set of multi-technology measurements would allow the identification of biologically or clinically meaningful observations through the unification of the perspectives afforded by each technology. In most cases, however, profiling technologies consume the used cells and thus pairwise correspondences between datasets are lost. Due to the sheer size single-cell datasets can acquire, scalable algorithms that are able to universally match single-cell measurements carried out in one cell to its corresponding sibling in another technology are needed. Results: We propose Single-Cell data Integration via Matching (SCIM), a scalable approach to recover such correspondences in two or more technologies. SCIM assumes that cells share a common (low-dimensional) underlying structure and that the underlying cell distribution is approximately constant across technologies. It constructs a technology-invariant latent space using an autoencoder framework with an adversarial objective. Multi-modal datasets are integrated by pairing cells across technologies using a bipartite matching scheme that operates on the low-dimensional latent representations. We evaluate SCIM on a simulated cellular branching process and show that the cell-to-cell matches derived by SCIM reflect the same pseudotime on the simulated dataset. Moreover, we apply our method to two real-world scenarios, a melanoma tumor sample and a human bone marrow sample, where we pair cells from a scRNA dataset to their sibling cells in a CyTOF dataset achieving 90% and 78% cell-matching accuracy for each one of the samples, respectively. AU - Stark, Stefan G AU - Ficek, Joanna AU - Locatello, Francesco AU - Bonilla, Ximena AU - Chevrier, Stéphane AU - Singer, Franziska AU - Aebersold, Rudolf AU - Al-Quaddoomi, Faisal S AU - Albinus, Jonas AU - Alborelli, Ilaria AU - Andani, Sonali AU - Attinger, Per-Olof AU - Bacac, Marina AU - Baumhoer, Daniel AU - Beck-Schimmer, Beatrice AU - Beerenwinkel, Niko AU - Beisel, Christian AU - Bernasconi, Lara AU - Bertolini, Anne AU - Bodenmiller, Bernd AU - Bonilla, Ximena AU - Casanova, Ruben AU - Chevrier, Stéphane AU - Chicherova, Natalia AU - D'Costa, Maya AU - Danenberg, Esther AU - Davidson, Natalie AU - gan, Monica-Andreea Dră AU - Dummer, Reinhard AU - Engler, Stefanie AU - Erkens, Martin AU - Eschbach, Katja AU - Esposito, Cinzia AU - Fedier, André AU - Ferreira, Pedro AU - Ficek, Joanna AU - Frei, Anja L AU - Frey, Bruno AU - Goetze, Sandra AU - Grob, Linda AU - Gut, Gabriele AU - Günther, Detlef AU - Haberecker, Martina AU - Haeuptle, Pirmin AU - Heinzelmann-Schwarz, Viola AU - Herter, Sylvia AU - Holtackers, Rene AU - Huesser, Tamara AU - Irmisch, Anja AU - Jacob, Francis AU - Jacobs, Andrea AU - Jaeger, Tim M AU - Jahn, Katharina AU - James, Alva R AU - Jermann, Philip M AU - Kahles, André AU - Kahraman, Abdullah AU - Koelzer, Viktor H AU - Kuebler, Werner AU - Kuipers, Jack AU - Kunze, Christian P AU - Kurzeder, Christian AU - Lehmann, Kjong-Van AU - Levesque, Mitchell AU - Lugert, Sebastian AU - Maass, Gerd AU - Manz, Markus AU - Markolin, Philipp AU - Mena, Julien AU - Menzel, Ulrike AU - Metzler, Julian M AU - Miglino, Nicola AU - Milani, Emanuela S AU - Moch, Holger AU - Muenst, Simone AU - Murri, Riccardo AU - Ng, Charlotte KY AU - Nicolet, Stefan AU - Nowak, Marta AU - Pedrioli, Patrick GA AU - Pelkmans, Lucas AU - Piscuoglio, Salvatore AU - Prummer, Michael AU - Ritter, Mathilde AU - Rommel, Christian AU - Rosano-González, María L AU - Rätsch, Gunnar AU - Santacroce, Natascha AU - Castillo, Jacobo Sarabia del AU - Schlenker, Ramona AU - Schwalie, Petra C AU - Schwan, Severin AU - Schär, Tobias AU - Senti, Gabriela AU - Singer, Franziska AU - Sivapatham, Sujana AU - Snijder, Berend AU - Sobottka, Bettina AU - Sreedharan, Vipin T AU - Stark, Stefan AU - Stekhoven, Daniel J AU - Theocharides, Alexandre PA AU - Thomas, Tinu M AU - Tolnay, Markus AU - Tosevski, Vinko AU - Toussaint, Nora C AU - Tuncel, Mustafa A AU - Tusup, Marina AU - Drogen, Audrey Van AU - Vetter, Marcus AU - Vlajnic, Tatjana AU - Weber, Sandra AU - Weber, Walter P AU - Wegmann, Rebekka AU - Weller, Michael AU - Wendt, Fabian AU - Wey, Norbert AU - Wicki, Andreas AU - Wollscheid, Bernd AU - Yu, Shuqing AU - Ziegler, Johanna AU - Zimmermann, Marc AU - Zoche, Martin AU - Zuend, Gregor AU - Rätsch, Gunnar AU - Lehmann, Kjong-Van ID - 14125 IS - Supplement_2 JF - Bioinformatics KW - Computational Mathematics KW - Computational Theory and Mathematics KW - Computer Science Applications KW - Molecular Biology KW - Biochemistry KW - Statistics and Probability TI - SCIM: Universal single-cell matching with unpaired feature sets VL - 36 ER - TY - CONF AB - The goal of the unsupervised learning of disentangled representations is to separate the independent explanatory factors of variation in the data without access to supervision. In this paper, we summarize the results of Locatello et al., 2019, and focus on their implications for practitioners. We discuss the theoretical result showing that the unsupervised learning of disentangled representations is fundamentally impossible without inductive biases and the practical challenges it entails. Finally, we comment on our experimental findings, highlighting the limitations of state-of-the-art approaches and directions for future research. AU - Locatello, Francesco AU - Bauer, Stefan AU - Lucic, Mario AU - Rätsch, Gunnar AU - Gelly, Sylvain AU - Schölkopf, Bernhard AU - Bachem, Olivier ID - 14186 IS - 9 SN - 9781577358350 T2 - The 34th AAAI Conference on Artificial Intelligence TI - A commentary on the unsupervised learning of disentangled representations VL - 34 ER - TY - CONF AB - Intelligent agents should be able to learn useful representations by observing changes in their environment. We model such observations as pairs of non-i.i.d. images sharing at least one of the underlying factors of variation. First, we theoretically show that only knowing how many factors have changed, but not which ones, is sufficient to learn disentangled representations. Second, we provide practical algorithms that learn disentangled representations from pairs of images without requiring annotation of groups, individual factors, or the number of factors that have changed. Third, we perform a large-scale empirical study and show that such pairs of observations are sufficient to reliably learn disentangled representations on several benchmark data sets. Finally, we evaluate our learned representations and find that they are simultaneously useful on a diverse suite of tasks, including generalization under covariate shifts, fairness, and abstract reasoning. Overall, our results demonstrate that weak supervision enables learning of useful disentangled representations in realistic scenarios. AU - Locatello, Francesco AU - Poole, Ben AU - Rätsch, Gunnar AU - Schölkopf, Bernhard AU - Bachem, Olivier AU - Tschannen, Michael ID - 14188 T2 - Proceedings of the 37th International Conference on Machine Learning TI - Weakly-supervised disentanglement without compromises VL - 119 ER - TY - CONF AB - We propose a novel Stochastic Frank-Wolfe (a.k.a. conditional gradient) algorithm for constrained smooth finite-sum minimization with a generalized linear prediction/structure. This class of problems includes empirical risk minimization with sparse, low-rank, or other structured constraints. The proposed method is simple to implement, does not require step-size tuning, and has a constant per-iteration cost that is independent of the dataset size. Furthermore, as a byproduct of the method we obtain a stochastic estimator of the Frank-Wolfe gap that can be used as a stopping criterion. Depending on the setting, the proposed method matches or improves on the best computational guarantees for Stochastic Frank-Wolfe algorithms. Benchmarks on several datasets highlight different regimes in which the proposed method exhibits a faster empirical convergence than related methods. Finally, we provide an implementation of all considered methods in an open-source package. AU - Négiar, Geoffrey AU - Dresdner, Gideon AU - Tsai, Alicia AU - Ghaoui, Laurent El AU - Locatello, Francesco AU - Freund, Robert M. AU - Pedregosa, Fabian ID - 14187 T2 - Proceedings of the 37th International Conference on Machine Learning TI - Stochastic Frank-Wolfe for constrained finite-sum minimization VL - 119 ER - TY - JOUR AB - The idea behind the unsupervised learning of disentangled representations is that real-world data is generated by a few explanatory factors of variation which can be recovered by unsupervised learning algorithms. In this paper, we provide a sober look at recent progress in the field and challenge some common assumptions. We first theoretically show that the unsupervised learning of disentangled representations is fundamentally impossible without inductive biases on both the models and the data. Then, we train over 14000 models covering most prominent methods and evaluation metrics in a reproducible large-scale experimental study on eight data sets. We observe that while the different methods successfully enforce properties “encouraged” by the corresponding losses, well-disentangled models seemingly cannot be identified without supervision. Furthermore, different evaluation metrics do not always agree on what should be considered “disentangled” and exhibit systematic differences in the estimation. Finally, increased disentanglement does not seem to necessarily lead to a decreased sample complexity of learning for downstream tasks. Our results suggest that future work on disentanglement learning should be explicit about the role of inductive biases and (implicit) supervision, investigate concrete benefits of enforcing disentanglement of the learned representations, and consider a reproducible experimental setup covering several data sets. AU - Locatello, Francesco AU - Bauer, Stefan AU - Lucic, Mario AU - Rätsch, Gunnar AU - Gelly, Sylvain AU - Schölkopf, Bernhard AU - Bachem, Olivier ID - 14195 JF - Journal of Machine Learning Research TI - A sober look at the unsupervised learning of disentangled representations and their evaluation VL - 21 ER - TY - JOUR AB - Genes differ in the frequency at which they are expressed and in the form of regulation used to control their activity. In particular, positive or negative regulation can lead to activation of a gene in response to an external signal. Previous works proposed that the form of regulation of a gene correlates with its frequency of usage: positive regulation when the gene is frequently expressed and negative regulation when infrequently expressed. Such network design means that, in the absence of their regulators, the genes are found in their least required activity state, hence regulatory intervention is often necessary. Due to the multitude of genes and regulators, spurious binding and unbinding events, called “crosstalk”, could occur. To determine how the form of regulation affects the global crosstalk in the network, we used a mathematical model that includes multiple regulators and multiple target genes. We found that crosstalk depends non-monotonically on the availability of regulators. Our analysis showed that excess use of regulation entailed by the formerly suggested network design caused high crosstalk levels in a large part of the parameter space. We therefore considered the opposite ‘idle’ design, where the default unregulated state of genes is their frequently required activity state. We found, that ‘idle’ design minimized the use of regulation and thus minimized crosstalk. In addition, we estimated global crosstalk of S. cerevisiae using transcription factors binding data. We demonstrated that even partial network data could suffice to estimate its global crosstalk, suggesting its applicability to additional organisms. We found that S. cerevisiae estimated crosstalk is lower than that of a random network, suggesting that natural selection reduces crosstalk. In summary, our study highlights a new type of protein production cost which is typically overlooked: that of regulatory interference caused by the presence of excess regulators in the cell. It demonstrates the importance of whole-network descriptions, which could show effects missed by single-gene models. AU - Grah, Rok AU - Friedlander, Tamar ID - 7569 IS - 2 JF - PLOS Computational Biology SN - 1553-7358 TI - The relation between crosstalk and gene regulation form revisited VL - 16 ER - TY - GEN AB - In mammals, chromatin marks at imprinted genes are asymmetrically inherited to control parentally-biased gene expression. This control is thought predominantly to involve parent-specific differentially methylated regions (DMR) in genomic DNA. However, neither parent-of-origin-specific transcription nor DMRs have been comprehensively mapped. We here address this by integrating transcriptomic and epigenomic approaches in mouse preimplantation embryos (blastocysts). Transcriptome-analysis identified 71 genes expressed with previously unknown parent-of-origin-specific expression in blastocysts (nBiX: novel blastocyst-imprinted expression). Uniparental expression of nBiX genes disappeared soon after implantation. Micro-whole-genome bisulfite sequencing (μWGBS) of individual uniparental blastocysts detected 859 DMRs. Only 18% of nBiXs were associated with a DMR, whereas 60% were associated with parentally-biased H3K27me3. This suggests a major role for Polycomb-mediated imprinting in blastocysts. Five nBiX-clusters contained at least one known imprinted gene, and five novel clusters contained exclusively nBiX-genes. These data suggest a complex program of stage-specific imprinting involving different tiers of regulation. AU - Santini, Laura AU - Halbritter, Florian AU - Titz-Teixeira, Fabian AU - Suzuki, Toru AU - Asami, Maki AU - Ramesmayer, Julia AU - Ma, Xiaoyan AU - Lackner, Andreas AU - Warr, Nick AU - Pauler, Florian AU - Hippenmeyer, Simon AU - Laue, Ernest AU - Farlik, Matthias AU - Bock, Christoph AU - Beyer, Andreas AU - Perry, Anthony C. F. AU - Leeb, Martin ID - 8813 T2 - bioRxiv TI - Novel imprints in mouse blastocysts are predominantly DNA methylation independent ER - TY - GEN AU - Grah, Rok AU - Friedlander, Tamar ID - 9777 TI - Maximizing crosstalk ER - TY - THES AB - 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. AU - Kragl, Bernhard ID - 8332 SN - 2663-337X TI - Verifying concurrent programs: Refinement, synchronization, sequentialization ER - TY - CONF AB - Learning object-centric representations of complex scenes is a promising step towards enabling efficient abstract reasoning from low-level perceptual features. Yet, most deep learning approaches learn distributed representations that do not capture the compositional properties of natural scenes. In this paper, we present the Slot Attention module, an architectural component that interfaces with perceptual representations such as the output of a convolutional neural network and produces a set of task-dependent abstract representations which we call slots. These slots are exchangeable and can bind to any object in the input by specializing through a competitive procedure over multiple rounds of attention. We empirically demonstrate that Slot Attention can extract object-centric representations that enable generalization to unseen compositions when trained on unsupervised object discovery and supervised property prediction tasks. AU - Locatello, Francesco AU - Weissenborn, Dirk AU - Unterthiner, Thomas AU - Mahendran, Aravindh AU - Heigold, Georg AU - Uszkoreit, Jakob AU - Dosovitskiy, Alexey AU - Kipf, Thomas ID - 14326 SN - 9781713829546 T2 - Advances in Neural Information Processing Systems TI - Object-centric learning with slot attention VL - 33 ER - TY - JOUR AB - We consider dynamical transport metrics for probability measures on discretisations of a bounded convex domain in ℝd. These metrics are natural discrete counterparts to the Kantorovich metric 𝕎2, defined using a Benamou-Brenier type formula. Under mild assumptions we prove an asymptotic upper bound for the discrete transport metric Wt in terms of 𝕎2, as the size of the mesh T tends to 0. However, we show that the corresponding lower bound may fail in general, even on certain one-dimensional and symmetric two-dimensional meshes. In addition, we show that the asymptotic lower bound holds under an isotropy assumption on the mesh, which turns out to be essentially necessary. This assumption is satisfied, e.g., for tilings by convex regular polygons, and it implies Gromov-Hausdorff convergence of the transport metric. AU - Gladbach, Peter AU - Kopfer, Eva AU - Maas, Jan ID - 71 IS - 3 JF - SIAM Journal on Mathematical Analysis SN - 00361410 TI - Scaling limits of discrete optimal transport VL - 52 ER - TY - JOUR AB - We introduce dynamically warping grids for adaptive liquid simulation. Our primary contributions are a strategy for dynamically deforming regular grids over the course of a simulation and a method for efficiently utilizing these deforming grids for liquid simulation. Prior work has shown that unstructured grids are very effective for adaptive fluid simulations. However, unstructured grids often lead to complicated implementations and a poor cache hit rate due to inconsistent memory access. Regular grids, on the other hand, provide a fast, fixed memory access pattern and straightforward implementation. Our method combines the advantages of both: we leverage the simplicity of regular grids while still achieving practical and controllable spatial adaptivity. We demonstrate that our method enables adaptive simulations that are fast, flexible, and robust to null-space issues. At the same time, our method is simple to implement and takes advantage of existing highly-tuned algorithms. AU - Hikaru, Ibayashi AU - Wojtan, Christopher J AU - Thuerey, Nils AU - Igarashi, Takeo AU - Ando, Ryoichi ID - 5681 IS - 6 JF - IEEE Transactions on Visualization and Computer Graphics SN - 10772626 TI - Simulating liquids on dynamically warping grids VL - 26 ER - TY - THES AB - The oft-quoted dictum by Arthur Schawlow: ``A diatomic molecule has one atom too many'' has been disavowed. Inspired by the possibility to experimentally manipulate and enhance chemical reactivity in helium nanodroplets, we investigate the rotation of coupled cold molecules in the presence of a many-body environment. In this thesis, we introduce new variational approaches to quantum impurities and apply them to the Fröhlich polaron - a quasiparticle formed out of an electron (or other point-like impurity) in a polar medium, and to the angulon - a quasiparticle formed out of a rotating molecule in a bosonic bath. With this theoretical toolbox, we reveal the self-localization transition for the angulon quasiparticle. We show that, unlike for polarons, self-localization of angulons occurs at finite impurity-bath coupling already at the mean-field level. The transition is accompanied by the spherical-symmetry breaking of the angulon ground state and a discontinuity in the first derivative of the ground-state energy. Moreover, the type of symmetry breaking is dictated by the symmetry of the microscopic impurity-bath interaction, which leads to a number of distinct self-localized states. For the system containing multiple impurities, by analogy with the bipolaron, we introduce the biangulon quasiparticle describing two rotating molecules that align with respect to each other due to the effective attractive interaction mediated by the excitations of the bath. We study this system from the strong-coupling regime to the weak molecule-bath interaction regime. We show that the molecules tend to have a strong alignment in the ground state, the biangulon shows shifted angulon instabilities and an additional spectral instability, where resonant angular momentum transfer between the molecules and the bath takes place. Finally, we introduce a diagonalization scheme that allows us to describe the transition from two separated angulons to a biangulon as a function of the distance between the two molecules. AU - Li, Xiang ID - 8958 SN - 2663-337X TI - Rotation of coupled cold molecules in the presence of a many-body environment ER - TY - THES AB - Form versus function is a long-standing debate in various design-related fields, such as architecture as well as graphic and industrial design. A good design that balances form and function often requires considerable human effort and collaboration among experts from different professional fields. Computational design tools provide a new paradigm for designing functional objects. In computational design, form and function are represented as mathematical quantities, with the help of numerical and combinatorial algorithms, they can assist even novice users in designing versatile models that exhibit their desired functionality. This thesis presents three disparate research studies on the computational design of functional objects: The appearance of 3d print—we optimize the volumetric material distribution for faithfully replicating colored surface texture in 3d printing; the dynamic motion of mechanical structures— our design system helps the novice user to retarget various mechanical templates with different functionality to complex 3d shapes; and a more abstract functionality, multistability—our algorithm automatically generates models that exhibit multiple stable target poses. For each of these cases, our computational design tools not only ensure the functionality of the results but also permit the user aesthetic freedom over the form. Moreover, fabrication constraints were taken into account, which allow for the immediate creation of physical realization via 3D printing or laser cutting. AU - Zhang, Ran ID - 8386 SN - 2663-337X TI - Structure-aware computational design and its application to 3D printable volume scattering, mechanism, and multistability ER - TY - THES AB - Quantum computation enables the execution of algorithms that have exponential complexity. This might open the path towards the synthesis of new materials or medical drugs, optimization of transport or financial strategies etc., intractable on even the fastest classical computers. A quantum computer consists of interconnected two level quantum systems, called qubits, that satisfy DiVincezo’s criteria. Worldwide, there are ongoing efforts to find the qubit architecture which will unite quantum error correction compatible single and two qubit fidelities, long distance qubit to qubit coupling and calability. Superconducting qubits have gone the furthest in this race, demonstrating an algorithm running on 53 coupled qubits, but still the fidelities are not even close to those required for realizing a single logical qubit. emiconductor qubits offer extremely good characteristics, but they are currently investigated across different platforms. Uniting those good characteristics into a single platform might be a big step towards the quantum computer realization. Here we describe the implementation of a hole spin qubit hosted in a Ge hut wire double quantum dot. The high and tunable spin-orbit coupling together with a heavy hole state character is expected to allow fast spin manipulation and long coherence times. Furthermore large lever arms, for hut wire devices, should allow good coupling to superconducting resonators enabling efficient long distance spin to spin coupling and a sensitive gate reflectometry spin readout. The developed cryogenic setup (printed circuit board sample holders, filtering, high-frequency wiring) enabled us to perform low temperature spin dynamics experiments. Indeed, we measured the fastest single spin qubit Rabi frequencies reported so far, reaching 140 MHz, while the dephasing times of 130 ns oppose the long decoherence predictions. In order to further investigate this, a double quantum dot gate was connected directly to a lumped element resonator which enabled gate reflectometry readout. The vanishing inter-dot transition signal, for increasing external magnetic field, revealed the spin nature of the measured quantity. AU - Kukucka, Josip ID - 7996 SN - 2663-337X TI - Implementation of a hole spin qubit in Ge hut wires and dispersive spin sensing ER - TY - CONF AB - We study turn-based stochastic zero-sum games with lexicographic preferences over reachability and safety objectives. Stochastic games are standard models in control, verification, and synthesis of stochastic reactive systems that exhibit both randomness as well as angelic and demonic non-determinism. Lexicographic order allows to consider multiple objectives with a strict preference order over the satisfaction of the objectives. To the best of our knowledge, stochastic games with lexicographic objectives have not been studied before. We establish determinacy of such games and present strategy and computational complexity results. For strategy complexity, we show that lexicographically optimal strategies exist that are deterministic and memory is only required to remember the already satisfied and violated objectives. For a constant number of objectives, we show that the relevant decision problem is in NP∩coNP , matching the current known bound for single objectives; and in general the decision problem is PSPACE -hard and can be solved in NEXPTIME∩coNEXPTIME . We present an algorithm that computes the lexicographically optimal strategies via a reduction to computation of optimal strategies in a sequence of single-objectives games. We have implemented our algorithm and report experimental results on various case studies. AU - Chatterjee, Krishnendu AU - Katoen, Joost P AU - Weininger, Maximilian AU - Winkler, Tobias ID - 8272 SN - 03029743 T2 - International Conference on Computer Aided Verification TI - Stochastic games with lexicographic reachability-safety objectives VL - 12225 ER - TY - CHAP AB - The polymerization–depolymerization dynamics of cytoskeletal proteins play essential roles in the self-organization of cytoskeletal structures, in eukaryotic as well as prokaryotic cells. While advances in fluorescence microscopy and in vitro reconstitution experiments have helped to study the dynamic properties of these complex systems, methods that allow to collect and analyze large quantitative datasets of the underlying polymer dynamics are still missing. Here, we present a novel image analysis workflow to study polymerization dynamics of active filaments in a nonbiased, highly automated manner. Using treadmilling filaments of the bacterial tubulin FtsZ as an example, we demonstrate that our method is able to specifically detect, track and analyze growth and shrinkage of polymers, even in dense networks of filaments. We believe that this automated method can facilitate the analysis of a large variety of dynamic cytoskeletal systems, using standard time-lapse movies obtained from experiments in vitro as well as in the living cell. Moreover, we provide scripts implementing this method as supplementary material. AU - Dos Santos Caldas, Paulo R AU - Radler, Philipp AU - Sommer, Christoph M AU - Loose, Martin ED - Tran, Phong ID - 7572 SN - 0091679X T2 - Methods in Cell Biology TI - Computational analysis of filament polymerization dynamics in cytoskeletal networks VL - 158 ER - TY - JOUR AB - Most bacteria accomplish cell division with the help of a dynamic protein complex called the divisome, which spans the cell envelope in the plane of division. Assembly and activation of this machinery are coordinated by the tubulin-related GTPase FtsZ, which was found to form treadmilling filaments on supported bilayers in vitro1, as well as in live cells, in which filaments circle around the cell division site2,3. Treadmilling of FtsZ is thought to actively move proteins around the division septum, thereby distributing peptidoglycan synthesis and coordinating the inward growth of the septum to form the new poles of the daughter cells4. However, the molecular mechanisms underlying this function are largely unknown. Here, to study how FtsZ polymerization dynamics are coupled to downstream proteins, we reconstituted part of the bacterial cell division machinery using its purified components FtsZ, FtsA and truncated transmembrane proteins essential for cell division. We found that the membrane-bound cytosolic peptides of FtsN and FtsQ co-migrated with treadmilling FtsZ–FtsA filaments, but despite their directed collective behaviour, individual peptides showed random motion and transient confinement. Our work suggests that divisome proteins follow treadmilling FtsZ filaments by a diffusion-and-capture mechanism, which can give rise to a moving zone of signalling activity at the division site. AU - Baranova, Natalia S. AU - Radler, Philipp AU - Hernández-Rocamora, Víctor M. AU - Alfonso, Carlos AU - Lopez Pelegrin, Maria D AU - Rivas, Germán AU - Vollmer, Waldemar AU - Loose, Martin ID - 7387 JF - Nature Microbiology SN - 2058-5276 TI - Diffusion and capture permits dynamic coupling between treadmilling FtsZ filaments and cell division proteins VL - 5 ER - TY - JOUR AB - Fejes Tóth [3] studied approximations of smooth surfaces in three-space by piecewise flat triangular meshes with a given number of vertices on the surface that are optimal with respect to Hausdorff distance. He proves that this Hausdorff distance decreases inversely proportional with the number of vertices of the approximating mesh if the surface is convex. He also claims that this Hausdorff distance is inversely proportional to the square of the number of vertices for a specific non-convex surface, namely a one-sheeted hyperboloid of revolution bounded by two congruent circles. We refute this claim, and show that the asymptotic behavior of the Hausdorff distance is linear, that is the same as for convex surfaces. AU - Vegter, Gert AU - Wintraecken, Mathijs ID - 8163 IS - 2 JF - Studia Scientiarum Mathematicarum Hungarica SN - 0081-6906 TI - Refutation of a claim made by Fejes Tóth on the accuracy of surface meshes VL - 57 ER - TY - JOUR AB - We study relations between evidence theory and S-approximation spaces. Both theories have their roots in the analysis of Dempsterchr('39')s multivalued mappings and lower and upper probabilities, and have close relations to rough sets. We show that an S-approximation space, satisfying a monotonicity condition, can induce a natural belief structure which is a fundamental block in evidence theory. We also demonstrate that one can induce a natural belief structure on one set, given a belief structure on another set, if the two sets are related by a partial monotone S-approximation space. AU - Shakiba, A. AU - Goharshady, Amir Kafshdar AU - Hooshmandasl, M.R. AU - Alambardar Meybodi, M. ID - 8671 IS - 2 JF - Iranian Journal of Mathematical Sciences and Informatics SN - 1735-4463 TI - A note on belief structures and s-approximation spaces VL - 15 ER - TY - JOUR AB - The strong rate of convergence of the Euler-Maruyama scheme for nondegenerate SDEs with irregular drift coefficients is considered. In the case of α-Hölder drift in the recent literature the rate α/2 was proved in many related situations. By exploiting the regularising effect of the noise more efficiently, we show that the rate is in fact arbitrarily close to 1/2 for all α>0. The result extends to Dini continuous coefficients, while in d=1 also to all bounded measurable coefficients. AU - Dareiotis, Konstantinos AU - Gerencser, Mate ID - 6359 JF - Electronic Journal of Probability TI - On the regularisation of the noise for the Euler-Maruyama scheme with irregular drift VL - 25 ER - TY - THES AB - Deep neural networks have established a new standard for data-dependent feature extraction pipelines in the Computer Vision literature. Despite their remarkable performance in the standard supervised learning scenario, i.e. when models are trained with labeled data and tested on samples that follow a similar distribution, neural networks have been shown to struggle with more advanced generalization abilities, such as transferring knowledge across visually different domains, or generalizing to new unseen combinations of known concepts. In this thesis we argue that, in contrast to the usual black-box behavior of neural networks, leveraging more structured internal representations is a promising direction for tackling such problems. In particular, we focus on two forms of structure. First, we tackle modularity: We show that (i) compositional architectures are a natural tool for modeling reasoning tasks, in that they efficiently capture their combinatorial nature, which is key for generalizing beyond the compositions seen during training. We investigate how to to learn such models, both formally and experimentally, for the task of abstract visual reasoning. Then, we show that (ii) in some settings, modularity allows us to efficiently break down complex tasks into smaller, easier, modules, thereby improving computational efficiency; We study this behavior in the context of generative models for colorization, as well as for small objects detection. Secondly, we investigate the inherently layered structure of representations learned by neural networks, and analyze its role in the context of transfer learning and domain adaptation across visually dissimilar domains. AU - Royer, Amélie ID - 8390 SN - 2663-337X TI - Leveraging structure in Computer Vision tasks for flexible Deep Learning models ER - TY - CONF AB - Numerous methods have been proposed for probabilistic generative modelling of 3D objects. However, none of these is able to produce textured objects, which renders them of limited use for practical tasks. In this work, we present the first generative model of textured 3D meshes. Training such a model would traditionally require a large dataset of textured meshes, but unfortunately, existing datasets of meshes lack detailed textures. We instead propose a new training methodology that allows learning from collections of 2D images without any 3D information. To do so, we train our model to explain a distribution of images by modelling each image as a 3D foreground object placed in front of a 2D background. Thus, it learns to generate meshes that when rendered, produce images similar to those in its training set. A well-known problem when generating meshes with deep networks is the emergence of self-intersections, which are problematic for many use-cases. As a second contribution we therefore introduce a new generation process for 3D meshes that guarantees no self-intersections arise, based on the physical intuition that faces should push one another out of the way as they move. We conduct extensive experiments on our approach, reporting quantitative and qualitative results on both synthetic data and natural images. These show our method successfully learns to generate plausible and diverse textured 3D samples for five challenging object classes. AU - Henderson, Paul M AU - Tsiminaki, Vagia AU - Lampert, Christoph ID - 8186 T2 - Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition TI - Leveraging 2D data to learn textured 3D mesh generation ER - TY - JOUR AB - Earlier, we demonstrated that transcript levels of METAL TOLERANCE PROTEIN2 (MTP2) and of HEAVY METAL ATPase2 (HMA2) increase strongly in roots of Arabidopsis upon prolonged zinc (Zn) deficiency and respond to shoot physiological Zn status, and not to the local Zn status in roots. This provided evidence for shoot-to-root communication in the acclimation of plants to Zn deficiency. Zn-deficient soils limit both the yield and quality of agricultural crops and can result in clinically relevant nutritional Zn deficiency in human populations. Implementing Zn deficiency during cultivation of the model plant Arabidopsis thaliana on agar-solidified media is difficult because trace element contaminations are present in almost all commercially available agars. Here, we demonstrate root morphological acclimations to Zn deficiency on agar-solidified medium following the effective removal of contaminants. These advancements allow reproducible phenotyping toward understanding fundamental plant responses to deficiencies of Zn and other essential trace elements. AU - Sinclair, Scott A AU - Krämer, U. ID - 7416 IS - 1 JF - Plant Signaling & Behavior SN - 1559-2324 TI - Generation of effective zinc-deficient agar-solidified media allows identification of root morphology changes in response to zinc limitation VL - 15 ER - TY - JOUR AB - In order to provide a local description of a regular function in a small neighbourhood of a point x, it is sufficient by Taylor’s theorem to know the value of the function as well as all of its derivatives up to the required order at the point x itself. In other words, one could say that a regular function is locally modelled by the set of polynomials. The theory of regularity structures due to Hairer generalizes this observation and provides an abstract setup, which in the application to singular SPDE extends the set of polynomials by functionals constructed from, e.g., white noise. In this context, the notion of Taylor polynomials is lifted to the notion of so-called modelled distributions. The celebrated reconstruction theorem, which in turn was inspired by Gubinelli’s \textit {sewing lemma}, is of paramount importance for the theory. It enables one to reconstruct a modelled distribution as a true distribution on Rd which is locally approximated by this extended set of models or “monomials”. In the original work of Hairer, the error is measured by means of Hölder norms. This was then generalized to the whole scale of Besov spaces by Hairer and Labbé. It is the aim of this work to adapt the analytic part of the theory of regularity structures to the scale of Triebel–Lizorkin spaces. AU - Hensel, Sebastian AU - Rosati, Tommaso ID - 9196 IS - 3 JF - Studia Mathematica KW - General Mathematics SN - 0039-3223 TI - Modelled distributions of Triebel–Lizorkin type VL - 252 ER - TY - JOUR AB - Retrovirus assembly is driven by the multidomain structural protein Gag. Interactions between the capsid domains (CA) of Gag result in Gag multimerization, leading to an immature virus particle that is formed by a protein lattice based on dimeric, trimeric, and hexameric protein contacts. Among retroviruses the inter- and intra-hexamer contacts differ, especially in the N-terminal sub-domain of CA (CANTD). For HIV-1 the cellular molecule inositol hexakisphosphate (IP6) interacts with and stabilizes the immature hexamer, and is required for production of infectious virus particles. We have used in vitro assembly, cryo-electron tomography and subtomogram averaging, atomistic molecular dynamics simulations and mutational analyses to study the HIV-related lentivirus equine infectious anemia virus (EIAV). In particular, we sought to understand the structural conservation of the immature lentivirus lattice and the role of IP6 in EIAV assembly. Similar to HIV-1, IP6 strongly promoted in vitro assembly of EIAV Gag proteins into virus-like particles (VLPs), which took three morphologically highly distinct forms: narrow tubes, wide tubes, and spheres. Structural characterization of these VLPs to sub-4Å resolution unexpectedly showed that all three morphologies are based on an immature lattice with preserved key structural components, highlighting the structural versatility of CA to form immature assemblies. A direct comparison between EIAV and HIV revealed that both lentiviruses maintain similar immature interfaces, which are established by both conserved and non-conserved residues. In both EIAV and HIV-1, IP6 regulates immature assembly via conserved lysine residues within the CACTD and SP. Lastly, we demonstrate that IP6 stimulates in vitro assembly of immature particles of several other retroviruses in the lentivirus genus, suggesting a conserved role for IP6 in lentiviral assembly. AU - Dick, Robert A. AU - Xu, Chaoyi AU - Morado, Dustin R. AU - Kravchuk, Vladyslav AU - Ricana, Clifton L. AU - Lyddon, Terri D. AU - Broad, Arianna M. AU - Feathers, J. Ryan AU - Johnson, Marc C. AU - Vogt, Volker M. AU - Perilla, Juan R. AU - Briggs, John A. G. AU - Schur, Florian KM ID - 7464 IS - 1 JF - PLOS Pathogens SN - 1553-7374 TI - Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly VL - 16 ER - TY - JOUR AB - The fixation probability of a single mutant invading a population of residents is among the most widely-studied quantities in evolutionary dynamics. Amplifiers of natural selection are population structures that increase the fixation probability of advantageous mutants, compared to well-mixed populations. Extensive studies have shown that many amplifiers exist for the Birth-death Moran process, some of them substantially increasing the fixation probability or even guaranteeing fixation in the limit of large population size. On the other hand, no amplifiers are known for the death-Birth Moran process, and computer-assisted exhaustive searches have failed to discover amplification. In this work we resolve this disparity, by showing that any amplification under death-Birth updating is necessarily bounded and transient. Our boundedness result states that even if a population structure does amplify selection, the resulting fixation probability is close to that of the well-mixed population. Our transience result states that for any population structure there exists a threshold r⋆ such that the population structure ceases to amplify selection if the mutant fitness advantage r is larger than r⋆. Finally, we also extend the above results to δ-death-Birth updating, which is a combination of Birth-death and death-Birth updating. On the positive side, we identify population structures that maintain amplification for a wide range of values r and δ. These results demonstrate that amplification of natural selection depends on the specific mechanisms of the evolutionary process. AU - Tkadlec, Josef AU - Pavlogiannis, Andreas AU - Chatterjee, Krishnendu AU - Nowak, Martin A. ID - 7212 JF - PLoS computational biology TI - Limits on amplifiers of natural selection under death-Birth updating VL - 16 ER - TY - THES AB - In this thesis we study certain mathematical aspects of evolution. The two primary forces that drive an evolutionary process are mutation and selection. Mutation generates new variants in a population. Selection chooses among the variants depending on the reproductive rates of individuals. Evolutionary processes are intrinsically random – a new mutation that is initially present in the population at low frequency can go extinct, even if it confers a reproductive advantage. The overall rate of evolution is largely determined by two quantities: the probability that an invading advantageous mutation spreads through the population (called fixation probability) and the time until it does so (called fixation time). Both those quantities crucially depend not only on the strength of the invading mutation but also on the population structure. In this thesis, we aim to understand how the underlying population structure affects the overall rate of evolution. Specifically, we study population structures that increase the fixation probability of advantageous mutants (called amplifiers of selection). Broadly speaking, our results are of three different types: We present various strong amplifiers, we identify regimes under which only limited amplification is feasible, and we propose population structures that provide different tradeoffs between high fixation probability and short fixation time. AU - Tkadlec, Josef ID - 7196 TI - A role of graphs in evolutionary processes ER - TY - CONF AB - The optimization of multilayer neural networks typically leads to a solution with zero training error, yet the landscape can exhibit spurious local minima and the minima can be disconnected. In this paper, we shed light on this phenomenon: we show that the combination of stochastic gradient descent (SGD) and over-parameterization makes the landscape of multilayer neural networks approximately connected and thus more favorable to optimization. More specifically, we prove that SGD solutions are connected via a piecewise linear path, and the increase in loss along this path vanishes as the number of neurons grows large. This result is a consequence of the fact that the parameters found by SGD are increasingly dropout stable as the network becomes wider. We show that, if we remove part of the neurons (and suitably rescale the remaining ones), the change in loss is independent of the total number of neurons, and it depends only on how many neurons are left. Our results exhibit a mild dependence on the input dimension: they are dimension-free for two-layer networks and depend linearly on the dimension for multilayer networks. We validate our theoretical findings with numerical experiments for different architectures and classification tasks. AU - Shevchenko, Alexander AU - Mondelli, Marco ID - 9198 T2 - Proceedings of the 37th International Conference on Machine Learning TI - Landscape connectivity and dropout stability of SGD solutions for over-parameterized neural networks VL - 119 ER -