@article{8170, abstract = {Alignment of OCS, CS2, and I2 molecules embedded in helium nanodroplets is measured as a function of time following rotational excitation by a nonresonant, comparatively weak ps laser pulse. The distinct peaks in the power spectra, obtained by Fourier analysis, are used to determine the rotational, B, and centrifugal distortion, D, constants. For OCS, B and D match the values known from IR spectroscopy. For CS2 and I2, they are the first experimental results reported. The alignment dynamics calculated from the gas-phase rotational Schrödinger equation, using the experimental in-droplet B and D values, agree in detail with the measurement for all three molecules. The rotational spectroscopy technique for molecules in helium droplets introduced here should apply to a range of molecules and complexes.}, author = {Chatterley, Adam S. and Christiansen, Lars and Schouder, Constant A. and Jørgensen, Anders V. and Shepperson, Benjamin and Cherepanov, Igor and Bighin, Giacomo and Zillich, Robert E. and Lemeshko, Mikhail and Stapelfeldt, Henrik}, issn = {1079-7114}, journal = {Physical Review Letters}, number = {1}, publisher = {American Physical Society}, title = {{Rotational coherence spectroscopy of molecules in Helium nanodroplets: Reconciling the time and the frequency domains}}, doi = {10.1103/PhysRevLett.125.013001}, volume = {125}, year = {2020}, } @inbook{8173, abstract = {Understanding how the activity of membrane receptors and cellular signaling pathways shapes cell behavior is of fundamental interest in basic and applied research. Reengineering receptors to react to light instead of their cognate ligands allows for generating defined signaling inputs with high spatial and temporal precision and facilitates the dissection of complex signaling networks. Here, we describe fundamental considerations in the design of light-regulated receptor tyrosine kinases (Opto-RTKs) and appropriate control experiments. We also introduce methods for transient receptor expression in HEK293 cells, quantitative assessment of signaling activity in reporter gene assays, semiquantitative assessment of (in)activation time courses through Western blot (WB) analysis, and easy to implement light stimulation hardware.}, author = {Kainrath, Stephanie and Janovjak, Harald L}, booktitle = {Photoswitching Proteins}, editor = {Niopek, Dominik}, isbn = {9781071607541}, issn = {1940-6029}, pages = {233--246}, publisher = {Springer Nature}, title = {{Design and application of light-regulated receptor tyrosine kinases}}, doi = {10.1007/978-1-0716-0755-8_16}, volume = {2173}, year = {2020}, } @inproceedings{8186, abstract = {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.}, author = {Henderson, Paul M and Tsiminaki, Vagia and Lampert, Christoph}, booktitle = {Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition}, issn = {2575-7075}, location = {Virtual}, pages = {7498--7507}, publisher = {IEEE}, title = {{Leveraging 2D data to learn textured 3D mesh generation}}, doi = {10.1109/CVPR42600.2020.00752}, year = {2020}, } @inproceedings{8188, abstract = {A natural approach to generative modeling of videos is to represent them as a composition of moving objects. Recent works model a set of 2D sprites over a slowly-varying background, but without considering the underlying 3D scene that gives rise to them. We instead propose to model a video as the view seen while moving through a scene with multiple 3D objects and a 3D background. Our model is trained from monocular videos without any supervision, yet learns to generate coherent 3D scenes containing several moving objects. We conduct detailed experiments on two datasets, going beyond the visual complexity supported by state-of-the-art generative approaches. We evaluate our method on depth-prediction and 3D object detection---tasks which cannot be addressed by those earlier works---and show it out-performs them even on 2D instance segmentation and tracking.}, author = {Henderson, Paul M and Lampert, Christoph}, booktitle = {34th Conference on Neural Information Processing Systems}, isbn = {9781713829546}, location = {Vancouver, Canada}, pages = {3106–3117}, publisher = {Neural Information Processing Systems Foundation}, title = {{Unsupervised object-centric video generation and decomposition in 3D}}, volume = {33}, year = {2020}, } @article{8189, abstract = {Direct ethanol fuel cells (DEFCs) show a huge potential to power future electric vehicles and portable electronics, but their deployment is currently limited by the unavailability of proper electrocatalysis for the ethanol oxidation reaction (EOR). In this work, we engineer a new electrocatalyst by incorporating phosphorous into a palladium-tin alloy and demonstrate a significant performance improvement toward EOR. We first detail a synthetic method to produce Pd2Sn:P nanocrystals that incorporate 35% of phosphorus. These nanoparticles are supported on carbon black and tested for EOR. Pd2Sn:P/C catalysts exhibit mass current densities up to 5.03 A mgPd−1, well above those of Pd2Sn/C, PdP2/C and Pd/C reference catalysts. Furthermore, a twofold lower Tafel slope and a much longer durability are revealed for the Pd2Sn:P/C catalyst compared with Pd/C. The performance improvement is rationalized with the aid of density functional theory (DFT) calculations considering different phosphorous chemical environments. Depending on its oxidation state, surface phosphorus introduces sites with low energy OH− adsorption and/or strongly influences the electronic structure of palladium and tin to facilitate the oxidation of the acetyl to acetic acid, which is considered the EOR rate limiting step. DFT calculations also points out that the durability improvement of Pd2Sn:P/C catalyst is associated to the promotion of OH adsorption that accelerates the oxidation of intermediate poisoning COads, reactivating the catalyst surface.}, author = {Yu, Xiaoting and Liu, Junfeng and Li, Junshan and Luo, Zhishan and Zuo, Yong and Xing, Congcong and Llorca, Jordi and Nasiou, Déspina and Arbiol, Jordi and Pan, Kai and Kleinhanns, Tobias and Xie, Ying and Cabot, Andreu}, issn = {2211-2855}, journal = {Nano Energy}, number = {11}, publisher = {Elsevier}, title = {{Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation}}, doi = {10.1016/j.nanoen.2020.105116}, volume = {77}, year = {2020}, } @inproceedings{8191, abstract = {There has been a significant amount of research on hardware and software support for efficient concurrent data structures; yet, the question of how to build correct, simple, and scalable data structures has not yet been definitively settled. In this paper, we revisit this question from a minimalist perspective, and ask: what is the smallest amount of synchronization required for correct and efficient concurrent search data structures, and how could this minimal synchronization support be provided in hardware? To address these questions, we introduce memory tagging, a simple hardware mechanism which enables the programmer to "tag" a dynamic set of memory locations, at cache-line granularity, and later validate whether the memory has been concurrently modified, with the possibility of updating one of the underlying locations atomically if validation succeeds. We provide several examples showing that this mechanism can enable fast and arguably simple concurrent data structure designs, such as lists, binary search trees, balanced search trees, range queries, and Software Transactional Memory (STM) implementations. We provide an implementation of memory tags in the Graphite multi-core simulator, showing that the mechanism can be implemented entirely at the level of L1 cache, and that it can enable non-trivial speedups versus existing implementations of the above data structures.}, author = {Alistarh, Dan-Adrian and Brown, Trevor A and Singhal, Nandini}, booktitle = {Annual ACM Symposium on Parallelism in Algorithms and Architectures}, isbn = {9781450369350}, location = {Virtual Event, United States}, number = {7}, pages = {37--49}, publisher = {Association for Computing Machinery}, title = {{Memory tagging: Minimalist synchronization for scalable concurrent data structures}}, doi = {10.1145/3350755.3400213}, year = {2020}, } @inproceedings{8193, abstract = {Multiple-environment Markov decision processes (MEMDPs) are MDPs equipped with not one, but multiple probabilistic transition functions, which represent the various possible unknown environments. While the previous research on MEMDPs focused on theoretical properties for long-run average payoff, we study them with discounted-sum payoff and focus on their practical advantages and applications. MEMDPs can be viewed as a special case of Partially observable and Mixed observability MDPs: the state of the system is perfectly observable, but not the environment. We show that the specific structure of MEMDPs allows for more efficient algorithmic analysis, in particular for faster belief updates. We demonstrate the applicability of MEMDPs in several domains. In particular, we formalize the sequential decision-making approach to contextual recommendation systems as MEMDPs and substantially improve over the previous MDP approach.}, author = {Chatterjee, Krishnendu and Chmelik, Martin and Karkhanis, Deep and Novotný, Petr and Royer, Amélie}, booktitle = {Proceedings of the 30th International Conference on Automated Planning and Scheduling}, issn = {2334-0843}, location = {Nancy, France}, pages = {48--56}, publisher = {Association for the Advancement of Artificial Intelligence}, title = {{Multiple-environment Markov decision processes: Efficient analysis and applications}}, volume = {30}, year = {2020}, } @inproceedings{8194, abstract = {Fixed-point arithmetic is a popular alternative to floating-point arithmetic on embedded systems. Existing work on the verification of fixed-point programs relies on custom formalizations of fixed-point arithmetic, which makes it hard to compare the described techniques or reuse the implementations. In this paper, we address this issue by proposing and formalizing an SMT theory of fixed-point arithmetic. We present an intuitive yet comprehensive syntax of the fixed-point theory, and provide formal semantics for it based on rational arithmetic. We also describe two decision procedures for this theory: one based on the theory of bit-vectors and the other on the theory of reals. We implement the two decision procedures, and evaluate our implementations using existing mature SMT solvers on a benchmark suite we created. Finally, we perform a case study of using the theory we propose to verify properties of quantized neural networks.}, author = {Baranowski, Marek and He, Shaobo and Lechner, Mathias and Nguyen, Thanh Son and Rakamarić, Zvonimir}, booktitle = {Automated Reasoning}, isbn = {9783030510732}, issn = {1611-3349}, location = {Paris, France}, pages = {13--31}, publisher = {Springer Nature}, title = {{An SMT theory of fixed-point arithmetic}}, doi = {10.1007/978-3-030-51074-9_2}, volume = {12166}, year = {2020}, } @inproceedings{8195, abstract = {This paper presents a foundation for refining concurrent programs with structured control flow. The verification problem is decomposed into subproblems that aid interactive program development, proof reuse, and automation. The formalization in this paper is the basis of a new design and implementation of the Civl verifier.}, author = {Kragl, Bernhard and Qadeer, Shaz and Henzinger, Thomas A}, booktitle = {Computer Aided Verification}, isbn = {9783030532871}, issn = {1611-3349}, pages = {275--298}, publisher = {Springer Nature}, title = {{Refinement for structured concurrent programs}}, doi = {10.1007/978-3-030-53288-8_14}, volume = {12224}, year = {2020}, } @article{8199, abstract = {We investigate a mechanism to transiently stabilize topological phenomena in long-lived quasi-steady states of isolated quantum many-body systems driven at low frequencies. We obtain an analytical bound for the lifetime of the quasi-steady states which is exponentially large in the inverse driving frequency. Within this lifetime, the quasi-steady state is characterized by maximum entropy subject to the constraint of fixed number of particles in the system's Floquet-Bloch bands. In such a state, all the non-universal properties of these bands are washed out, hence only the topological properties persist.}, author = {Gulden, Tobias and Berg, Erez and Rudner, Mark Spencer and Lindner, Netanel}, issn = {2542-4653}, journal = {SciPost Physics}, publisher = {SciPost Foundation}, title = {{Exponentially long lifetime of universal quasi-steady states in topological Floquet pumps}}, doi = {10.21468/scipostphys.9.1.015}, volume = {9}, year = {2020}, } @article{8203, abstract = {Using inelastic cotunneling spectroscopy we observe a zero field splitting within the spin triplet manifold of Ge hut wire quantum dots. The states with spin ±1 in the confinement direction are energetically favored by up to 55 μeV compared to the spin 0 triplet state because of the strong spin–orbit coupling. The reported effect should be observable in a broad class of strongly confined hole quantum-dot systems and might need to be considered when operating hole spin qubits.}, author = {Katsaros, Georgios and Kukucka, Josip and Vukušić, Lada and Watzinger, Hannes and Gao, Fei and Wang, Ting and Zhang, Jian-Jun and Held, Karsten}, issn = {1530-6992}, journal = {Nano Letters}, number = {7}, pages = {5201--5206}, publisher = {American Chemical Society}, title = {{Zero field splitting of heavy-hole states in quantum dots}}, doi = {10.1021/acs.nanolett.0c01466}, volume = {20}, year = {2020}, } @article{8220, abstract = {Understanding to what extent stem cell potential is a cell-intrinsic property or an emergent behavior coming from global tissue dynamics and geometry is a key outstanding question of systems and stem cell biology. Here, we propose a theory of stem cell dynamics as a stochastic competition for access to a spatially localized niche, giving rise to a stochastic conveyor-belt model. Cell divisions produce a steady cellular stream which advects cells away from the niche, while random rearrangements enable cells away from the niche to be favorably repositioned. Importantly, even when assuming that all cells in a tissue are molecularly equivalent, we predict a common (“universal”) functional dependence of the long-term clonal survival probability on distance from the niche, as well as the emergence of a well-defined number of functional stem cells, dependent only on the rate of random movements vs. mitosis-driven advection. We test the predictions of this theory on datasets of pubertal mammary gland tips and embryonic kidney tips, as well as homeostatic intestinal crypts. Importantly, we find good agreement for the predicted functional dependency of the competition as a function of position, and thus functional stem cell number in each organ. This argues for a key role of positional fluctuations in dictating stem cell number and dynamics, and we discuss the applicability of this theory to other settings.}, author = {Corominas-Murtra, Bernat and Scheele, Colinda L.G.J. and Kishi, Kasumi and Ellenbroek, Saskia I.J. and Simons, Benjamin D. and Van Rheenen, Jacco and Hannezo, Edouard B}, issn = {1091-6490}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, number = {29}, pages = {16969--16975}, publisher = {National Academy of Sciences}, title = {{Stem cell lineage survival as a noisy competition for niche access}}, doi = {10.1073/pnas.1921205117}, volume = {117}, year = {2020}, } @misc{8254, abstract = {Here are the research data underlying the publication "Estimating inbreeding and its effects in a long-term study of snapdragons (Antirrhinum majus)". Further information are summed up in the README document. The files for this record have been updated and are now found in the linked DOI https://doi.org/10.15479/AT:ISTA:9192.}, author = {Arathoon, Louise S}, publisher = {Institute of Science and Technology Austria}, title = {{Estimating inbreeding and its effects in a long-term study of snapdragons (Antirrhinum majus)}}, doi = {10.15479/AT:ISTA:8254}, year = {2020}, } @article{8261, abstract = {Dentate gyrus granule cells (GCs) connect the entorhinal cortex to the hippocampal CA3 region, but how they process spatial information remains enigmatic. To examine the role of GCs in spatial coding, we measured excitatory postsynaptic potentials (EPSPs) and action potentials (APs) in head-fixed mice running on a linear belt. Intracellular recording from morphologically identified GCs revealed that most cells were active, but activity level varied over a wide range. Whereas only ∼5% of GCs showed spatially tuned spiking, ∼50% received spatially tuned input. Thus, the GC population broadly encodes spatial information, but only a subset relays this information to the CA3 network. Fourier analysis indicated that GCs received conjunctive place-grid-like synaptic input, suggesting code conversion in single neurons. GC firing was correlated with dendritic complexity and intrinsic excitability, but not extrinsic excitatory input or dendritic cable properties. Thus, functional maturation may control input-output transformation and spatial code conversion.}, author = {Zhang, Xiaomin and Schlögl, Alois and Jonas, Peter M}, issn = {0896-6273}, journal = {Neuron}, number = {6}, pages = {1212--1225}, publisher = {Elsevier}, title = {{Selective routing of spatial information flow from input to output in hippocampal granule cells}}, doi = {10.1016/j.neuron.2020.07.006}, volume = {107}, year = {2020}, } @article{8268, abstract = {Modern scientific instruments produce vast amounts of data, which can overwhelm the processing ability of computer systems. Lossy compression of data is an intriguing solution, but comes with its own drawbacks, such as potential signal loss, and the need for careful optimization of the compression ratio. In this work, we focus on a setting where this problem is especially acute: compressive sensing frameworks for interferometry and medical imaging. We ask the following question: can the precision of the data representation be lowered for all inputs, with recovery guarantees and practical performance Our first contribution is a theoretical analysis of the normalized Iterative Hard Thresholding (IHT) algorithm when all input data, meaning both the measurement matrix and the observation vector are quantized aggressively. We present a variant of low precision normalized IHT that, under mild conditions, can still provide recovery guarantees. The second contribution is the application of our quantization framework to radio astronomy and magnetic resonance imaging. We show that lowering the precision of the data can significantly accelerate image recovery. We evaluate our approach on telescope data and samples of brain images using CPU and FPGA implementations achieving up to a 9x speedup with negligible loss of recovery quality.}, author = {Gurel, Nezihe Merve and Kara, Kaan and Stojanov, Alen and Smith, Tyler and Lemmin, Thomas and Alistarh, Dan-Adrian and Puschel, Markus and Zhang, Ce}, issn = {1941-0476}, journal = {IEEE Transactions on Signal Processing}, pages = {4268--4282}, publisher = {IEEE}, title = {{Compressive sensing using iterative hard thresholding with low precision data representation: Theory and applications}}, doi = {10.1109/TSP.2020.3010355}, volume = {68}, year = {2020}, } @article{8271, author = {He, Peng and Zhang, Yuzhou and Xiao, Guanghui}, issn = {1752-9867}, journal = {Molecular Plant}, number = {9}, pages = {1238--1240}, publisher = {Elsevier}, title = {{Origin of a subgenome and genome evolution of allotetraploid cotton species}}, doi = {10.1016/j.molp.2020.07.006}, volume = {13}, year = {2020}, } @inproceedings{8272, abstract = {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.}, author = {Chatterjee, Krishnendu and Katoen, Joost P and Weininger, Maximilian and Winkler, Tobias}, booktitle = {International Conference on Computer Aided Verification}, isbn = {9783030532901}, issn = {1611-3349}, pages = {398--420}, publisher = {Springer Nature}, title = {{Stochastic games with lexicographic reachability-safety objectives}}, doi = {10.1007/978-3-030-53291-8_21}, volume = {12225}, year = {2020}, } @article{8284, abstract = {Multiple resistance and pH adaptation (Mrp) antiporters are multi-subunit Na+ (or K+)/H+ exchangers representing an ancestor of many essential redox-driven proton pumps, such as respiratory complex I. The mechanism of coupling between ion or electron transfer and proton translocation in this large protein family is unknown. Here, we present the structure of the Mrp complex from Anoxybacillus flavithermus solved by cryo-EM at 3.0 Å resolution. It is a dimer of seven-subunit protomers with 50 trans-membrane helices each. Surface charge distribution within each monomer is remarkably asymmetric, revealing probable proton and sodium translocation pathways. On the basis of the structure we propose a mechanism where the coupling between sodium and proton translocation is facilitated by a series of electrostatic interactions between a cation and key charged residues. This mechanism is likely to be applicable to the entire family of redox proton pumps, where electron transfer to substrates replaces cation movements.}, author = {Steiner, Julia and Sazanov, Leonid A}, issn = {2050-084X}, journal = {eLife}, publisher = {eLife Sciences Publications}, title = {{Structure and mechanism of the Mrp complex, an ancient cation/proton antiporter}}, doi = {10.7554/eLife.59407}, volume = {9}, year = {2020}, } @inproceedings{8287, abstract = {Reachability analysis aims at identifying states reachable by a system within a given time horizon. This task is known to be computationally expensive for linear hybrid systems. Reachability analysis works by iteratively applying continuous and discrete post operators to compute states reachable according to continuous and discrete dynamics, respectively. In this paper, we enhance both of these operators and make sure that most of the involved computations are performed in low-dimensional state space. In particular, we improve the continuous-post operator by performing computations in high-dimensional state space only for time intervals relevant for the subsequent application of the discrete-post operator. Furthermore, the new discrete-post operator performs low-dimensional computations by leveraging the structure of the guard and assignment of a considered transition. We illustrate the potential of our approach on a number of challenging benchmarks.}, author = {Bogomolov, Sergiy and Forets, Marcelo and Frehse, Goran and Potomkin, Kostiantyn and Schilling, Christian}, booktitle = {Proceedings of the International Conference on Embedded Software}, keywords = {reachability, hybrid systems, decomposition}, location = {Virtual }, title = {{Reachability analysis of linear hybrid systems via block decomposition}}, year = {2020}, } @article{8308, abstract = {Many-body localization provides a mechanism to avoid thermalization in isolated interacting quantum systems. The breakdown of thermalization may be complete, when all eigenstates in the many-body spectrum become localized, or partial, when the so-called many-body mobility edge separates localized and delocalized parts of the spectrum. Previously, De Roeck et al. [Phys. Rev. B 93, 014203 (2016)] suggested a possible instability of the many-body mobility edge in energy density. The local ergodic regions—so-called “bubbles”—resonantly spread throughout the system, leading to delocalization. In order to study such instability mechanism, in this work we design a model featuring many-body mobility edge in particle density: the states at small particle density are localized, while increasing the density of particles leads to delocalization. Using numerical simulations with matrix product states, we demonstrate the stability of many-body localization with respect to small bubbles in large dilute systems for experimentally relevant timescales. In addition, we demonstrate that processes where the bubble spreads are favored over processes that lead to resonant tunneling, suggesting a possible mechanism behind the observed stability of many-body mobility edge. We conclude by proposing experiments to probe particle density mobility edge in the Bose-Hubbard model.}, author = {Brighi, Pietro and Abanin, Dmitry A. and Serbyn, Maksym}, issn = {2469-9969}, journal = {Physical Review B}, number = {6}, publisher = {American Physical Society}, title = {{Stability of mobility edges in disordered interacting systems}}, doi = {10.1103/physrevb.102.060202}, volume = {102}, year = {2020}, }