@inproceedings{9356,
abstract = {In runtime verification, a monitor watches a trace of a system and, if possible, decides after observing each finite prefix whether or not the unknown infinite trace satisfies a given specification. We generalize the theory of runtime verification to monitors that attempt to estimate numerical values of quantitative trace properties (instead of attempting to conclude boolean values of trace specifications), such as maximal or average response time along a trace. Quantitative monitors are approximate: with every finite prefix, they can improve their estimate of the infinite trace's unknown property value. Consequently, quantitative monitors can be compared with regard to a precision-cost trade-off: better approximations of the property value require more monitor resources, such as states (in the case of finite-state monitors) or registers, and additional resources yield better approximations. We introduce a formal framework for quantitative and approximate monitoring, show how it conservatively generalizes the classical boolean setting for monitoring, and give several precision-cost trade-offs for monitors. For example, we prove that there are quantitative properties for which every additional register improves monitoring precision.},
author = {Henzinger, Thomas A and Sarac, Naci E},
booktitle = {Proceedings of the 36th Annual ACM/IEEE Symposium on Logic in Computer Science},
location = {Online},
publisher = {Association for Computing Machinery},
title = {{Quantitative and approximate monitoring}},
year = {2021},
}
@article{8198,
abstract = {We investigate how the critical driving amplitude at the Floquet many-body localized (MBL) to ergodic phase transition differs between smooth and nonsmooth drives. To this end, we numerically study a disordered spin-1/2 chain which is periodically driven by a sine or square-wave drive over a wide range of driving frequencies. In both cases the critical driving amplitude increases monotonically with the frequency, and at large frequencies it is identical for the two drives. However, at low and intermediate frequencies the critical amplitude of the square-wave drive depends strongly on the frequency, while that of the sinusoidal drive is almost constant over a wide frequency range. By analyzing the density of drive-induced resonances we conclude that this difference is due to resonances induced by the higher harmonics which are present (absent) in the Fourier spectrum of the square-wave (sine) drive. Furthermore, we suggest a numerically efficient method for estimating the frequency dependence of the critical driving amplitudes for different drives which is based on calculating the density of drive-induced resonances. We conclude that delocalization occurs once the density of drive-induced resonances reaches a critical value determined only by the static system.},
author = {Diringer, Asaf A. and Gulden, Tobias},
issn = {24699969},
journal = {Physical Review B},
number = {21},
publisher = {American Physical Society},
title = {{Impact of drive harmonics on the stability of Floquet many-body localization}},
doi = {10.1103/PhysRevB.103.214204},
volume = {103},
year = {2021},
}
@article{8317,
abstract = {When can a polyomino piece of paper be folded into a unit cube? Prior work studied tree-like polyominoes, but polyominoes with holes remain an intriguing open problem. We present sufficient conditions for a polyomino with one or several holes to fold into a cube, and conditions under which cube folding is impossible. In particular, we show that all but five special “basic” holes guarantee foldability.},
author = {Aichholzer, Oswin and Akitaya, Hugo A. and Cheung, Kenneth C. and Demaine, Erik D. and Demaine, Martin L. and Fekete, Sándor P. and Kleist, Linda and Kostitsyna, Irina and Löffler, Maarten and Masárová, Zuzana and Mundilova, Klara and Schmidt, Christiane},
issn = {09257721},
journal = {Computational Geometry: Theory and Applications},
publisher = {Elsevier},
title = {{Folding polyominoes with holes into a cube}},
doi = {10.1016/j.comgeo.2020.101700},
volume = {93},
year = {2021},
}
@article{7463,
abstract = {Resting-state brain activity is characterized by the presence of neuronal avalanches showing absence of characteristic size. Such evidence has been interpreted in the context of criticality and associated with the normal functioning of the brain. A distinctive attribute of systems at criticality is the presence of long-range correlations. Thus, to verify the hypothesis that the brain operates close to a critical point and consequently assess deviations from criticality for diagnostic purposes, it is of primary importance to robustly and reliably characterize correlations in resting-state brain activity. Recent works focused on the analysis of narrow-band electroencephalography (EEG) and magnetoencephalography (MEG) signal amplitude envelope, showing evidence of long-range temporal correlations (LRTC) in neural oscillations. However, brain activity is a broadband phenomenon, and a significant piece of information useful to precisely discriminate between normal (critical) and pathological behavior (non-critical), may be encoded in the broadband spatio-temporal cortical dynamics. Here we propose to characterize the temporal correlations in the broadband brain activity through the lens of neuronal avalanches. To this end, we consider resting-state EEG and long-term MEG recordings, extract the corresponding neuronal avalanche sequences, and study their temporal correlations. We demonstrate that the broadband resting-state brain activity consistently exhibits long-range power-law correlations in both EEG and MEG recordings, with similar values of the scaling exponents. Importantly, although we observe that the avalanche size distribution depends on scale parameters, scaling exponents characterizing long-range correlations are quite robust. In particular, they are independent of the temporal binning (scale of analysis), indicating that our analysis captures intrinsic characteristics of the underlying dynamics. Because neuronal avalanches constitute a fundamental feature of neural systems with universal characteristics, the proposed approach may serve as a general, systems- and experiment-independent procedure to infer the existence of underlying long-range correlations in extended neural systems, and identify pathological behaviors in the complex spatio-temporal interplay of cortical rhythms.},
author = {Lombardi, Fabrizio and Shriki, Oren and Herrmann, Hans J and de Arcangelis, Lucilla},
issn = {18728286},
journal = {Neurocomputing},
publisher = {Elsevier},
title = {{Long-range temporal correlations in the broadband resting state activity of the human brain revealed by neuronal avalanches}},
doi = {10.1016/j.neucom.2020.05.126},
year = {2021},
}
@inproceedings{9605,
abstract = {Given a finite set A ⊂ ℝ^d, let Cov_{r,k} denote the set of all points within distance r to at least k points of A. Allowing r and k to vary, we obtain a 2-parameter family of spaces that grow larger when r increases or k decreases, called the multicover bifiltration. Motivated by the problem of computing the homology of this bifiltration, we introduce two closely related combinatorial bifiltrations, one polyhedral and the other simplicial, which are both topologically equivalent to the multicover bifiltration and far smaller than a Čech-based model considered in prior work of Sheehy. Our polyhedral construction is a bifiltration of the rhomboid tiling of Edelsbrunner and Osang, and can be efficiently computed using a variant of an algorithm given by these authors as well. Using an implementation for dimension 2 and 3, we provide experimental results. Our simplicial construction is useful for understanding the polyhedral construction and proving its correctness. },
author = {Corbet, René and Kerber, Michael and Lesnick, Michael and Osang, Georg F},
booktitle = {Leibniz International Proceedings in Informatics},
isbn = {9783959771849},
issn = {18688969},
location = {Online},
publisher = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik},
title = {{Computing the multicover bifiltration}},
doi = {10.4230/LIPIcs.SoCG.2021.27},
volume = {189},
year = {2021},
}
@article{9571,
abstract = {As the size and complexity of models and datasets grow, so does the need for communication-efficient variants of stochastic gradient descent that can be deployed to perform parallel model training. One popular communication-compression method for data-parallel SGD is QSGD (Alistarh et al., 2017), which quantizes and encodes gradients to reduce communication costs. The baseline variant of QSGD provides strong theoretical guarantees, however, for practical purposes, the authors proposed a heuristic variant which we call QSGDinf, which demonstrated impressive empirical gains for distributed training of large neural networks. In this paper, we build on this work to propose a new gradient quantization scheme, and show that it has both stronger theoretical guarantees than QSGD, and matches and exceeds the empirical performance of the QSGDinf heuristic and of other compression methods.},
author = {Ramezani-Kebrya, Ali and Faghri, Fartash and Markov, Ilya and Aksenov, Vitalii and Alistarh, Dan-Adrian and Roy, Daniel M.},
issn = {15337928},
journal = {Journal of Machine Learning Research},
number = {114},
pages = {1−43},
publisher = {Journal of Machine Learning Research},
title = {{NUQSGD: Provably communication-efficient data-parallel SGD via nonuniform quantization}},
volume = {22},
year = {2021},
}
@article{9669,
abstract = {The set of known stable phases of water may not be complete, and some of the phase boundaries between them are fuzzy. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the phase diagram at three hybrid density-functional-theory levels of approximation, accounting for thermal and nuclear fluctuations as well as proton disorder. Such calculations are only made tractable because we combine machine-learning methods and advanced free-energy techniques. The computed phase diagram is in qualitative agreement with experiment, particularly at pressures ≲ 8000 bar, and the discrepancy in chemical potential is comparable with the subtle uncertainties introduced by proton disorder and the spread between the three hybrid functionals. None of the hypothetical ice phases considered is thermodynamically stable in our calculations, suggesting the completeness of the experimental water phase diagram in the region considered. Our work demonstrates the feasibility of predicting the phase diagram of a polymorphic system from first principles and provides a thermodynamic way of testing the limits of quantum-mechanical calculations.},
author = {Reinhardt, Aleks and Cheng, Bingqing},
issn = {2041-1723},
journal = {Nature Communications},
number = {1},
publisher = {Springer Nature},
title = {{Quantum-mechanical exploration of the phase diagram of water}},
doi = {10.1038/s41467-020-20821-w},
volume = {12},
year = {2021},
}
@article{9641,
abstract = {At the encounter with a novel environment, contextual memory formation is greatly enhanced, accompanied with increased arousal and active exploration. Although this phenomenon has been widely observed in animal and human daily life, how the novelty in the environment is detected and contributes to contextual memory formation has lately started to be unveiled. The hippocampus has been studied for many decades for its largely known roles in encoding spatial memory, and a growing body of evidence indicates a differential involvement of dorsal and ventral hippocampal divisions in novelty detection. In this brief review article, we discuss the recent findings of the role of mossy cells in the ventral hippocampal moiety in novelty detection and put them in perspective with other novelty-related pathways in the hippocampus. We propose a mechanism for novelty-driven memory acquisition in the dentate gyrus by the direct projection of ventral mossy cells to dorsal dentate granule cells. By this projection, the ventral hippocampus sends novelty signals to the dorsal hippocampus, opening a gate for memory encoding in dentate granule cells based on information coming from the entorhinal cortex. We conclude that, contrary to the presently accepted functional independence, the dorsal and ventral hippocampi cooperate to link the novelty and contextual information, and this dorso-ventral interaction is crucial for the novelty-dependent memory formation.},
author = {Fredes, Felipe and Shigemoto, Ryuichi},
issn = {10959564},
journal = {Neurobiology of Learning and Memory},
publisher = {Elsevier},
title = {{The role of hippocampal mossy cells in novelty detection}},
doi = {10.1016/j.nlm.2021.107486},
volume = {183},
year = {2021},
}
@article{9679,
abstract = {The relative motion of three impenetrable particles on a ring, in our case two identical fermions and one impurity, is isomorphic to a triangular quantum billiard. Depending on the ratio κ of the impurity and fermion masses, the billiards can be integrable or non-integrable (also referred to in the main text as chaotic). To set the stage, we first investigate the energy level distributions of the billiards as a function of 1/κ ∈ [0, 1] and find no evidence of integrable cases beyond the limiting values 1/κ = 1 and 1/κ = 0. Then, we use machine learning tools to analyze properties of probability distributions of individual quantum states. We find that convolutional neural networks can correctly classify integrable and non-integrable states. The decisive features of the wave functions are the normalization and a large number of zero elements, corresponding to the existence of a nodal line. The network achieves typical accuracies of 97%, suggesting that machine learning tools can be used to analyze and classify the morphology of probability densities obtained in theory or experiment.},
author = {Huber, David and Marchukov, Oleksandr V. and Hammer, Hans Werner and Volosniev, Artem},
issn = {13672630},
journal = {New Journal of Physics},
number = {6},
publisher = {IOP Publishing},
title = {{Morphology of three-body quantum states from machine learning}},
doi = {10.1088/1367-2630/ac0576},
volume = {23},
year = {2021},
}
@article{9657,
abstract = {To overcome nitrogen deficiency, legume roots establish symbiotic interactions with nitrogen-fixing rhizobia that is fostered in specialized organs (nodules). Similar to other organs, nodule formation is determined by a local maximum of the phytohormone auxin at the primordium site. However, how auxin regulates nodule development remains poorly understood. Here, we found that in soybean, (Glycine max), dynamic auxin transport driven by PIN-FORMED (PIN) transporter GmPIN1 is involved in nodule primordium formation. GmPIN1 was specifically expressed in nodule primordium cells and GmPIN1 was polarly localized in these cells. Two nodulation regulators, (iso)flavonoids trigger expanded distribution of GmPIN1b to root cortical cells, and cytokinin rearranges GmPIN1b polarity. Gmpin1abc triple mutants generated with CRISPR-Cas9 showed impaired establishment of auxin maxima in nodule meristems and aberrant divisions in the nodule primordium cells. Moreover, overexpression of GmPIN1 suppressed nodule primordium initiation. GmPIN9d, an ortholog of Arabidopsis thaliana PIN2, acts together with GmPIN1 later in nodule development to acropetally transport auxin in vascular bundles, fine-tuning the auxin supply for nodule enlargement. Our findings reveal how PIN-dependent auxin transport modulates different aspects of soybean nodule development and suggest that establishment of auxin gradient is a prerequisite for the proper interaction between legumes and rhizobia.},
author = {Gao, Z and Chen, Z and Cui, Y and Ke, M and Xu, H and Xu, Q and Chen, J and Li, Y and Huang, L and Zhao, H and Huang, D and Mai, S and Xu, T and Liu, X and Li, S and Guan, Y and Yang, W and Friml, Jiří and Petrášek, J and Zhang, J and Chen, X},
issn = {1532-298x},
journal = {Plant Cell},
publisher = {American Society of Plant Biologists},
title = {{GmPIN-dependent polar auxin transport is involved in soybean nodule development}},
doi = {10.1093/plcell/koab183},
year = {2021},
}
@unpublished{9695,
abstract = {Real-world data typically contain a large number of features that are often heterogeneous in nature, relevance, and also units of measure. When assessing the similarity between data points, one can build various distance measures using subsets of these features. Using the fewest features but still retaining sufficient information about the system is crucial in many statistical learning approaches, particularly when data are sparse. We introduce a statistical test that can assess the relative information retained when using two different distance measures, and determine if they are equivalent, independent, or if one is more informative than the other. This in turn allows finding the most informative distance measure out of a pool of candidates. The approach is applied to find the most relevant policy variables for controlling the Covid-19 epidemic and to find compact yet informative representations of atomic structures, but its potential applications are wide ranging in many branches of science.},
author = {Glielmo, Aldo and Zeni, Claudio and Cheng, Bingqing and Csanyi, Gabor and Laio, Alessandro},
booktitle = {arXiv},
title = {{Ranking the information content of distance measures}},
year = {2021},
}
@article{9627,
abstract = {We compute the deficiency spaces of operators of the form 𝐻𝐴⊗̂ 𝐼+𝐼⊗̂ 𝐻𝐵, for symmetric 𝐻𝐴 and self-adjoint 𝐻𝐵. This enables us to construct self-adjoint extensions (if they exist) by means of von Neumann's theory. The structure of the deficiency spaces for this case was asserted already in Ibort et al. [Boundary dynamics driven entanglement, J. Phys. A: Math. Theor. 47(38) (2014) 385301], but only proven under the restriction of 𝐻𝐵 having discrete, non-degenerate spectrum.},
author = {Lenz, Daniel and Weinmann, Timon and Wirth, Melchior},
issn = {14643839},
journal = {Proceedings of the Edinburgh Mathematical Society},
pages = {1--15},
publisher = {Cambridge University Press},
title = {{Self-adjoint extensions of bipartite Hamiltonians}},
doi = {10.1017/S0013091521000080},
year = {2021},
}
@unpublished{9696,
abstract = {Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to overcome the limitations of quantum mechanical simulations, and characterize hydrogen diffusion, superionic transitions, and phase behaviors of water at extreme conditions. We predict that a close-packed superionic phase with mixed stacking is stable over a wide temperature and pressure range, while a body-centered cubic phase is only thermodynamically stable in a small window but is kinetically favored. Our phase boundaries, which are consistent with the existing-albeit scarce-experimental observations, help resolve the fractions of insulating ice, different superionic phases, and liquid water inside of ice giants.},
author = {Cheng, Bingqing and Bethkenhagen, Mandy and Pickard, Chris J. and Hamel, Sebastien},
booktitle = {arXiv},
title = {{Predicting the phase behaviors of superionic water at planetary conditions}},
year = {2021},
}
@article{9647,
abstract = {Gene expression is regulated by the set of transcription factors (TFs) that bind to the promoter. The ensuing regulating function is often represented as a combinational logic circuit, where output (gene expression) is determined by current input values (promoter bound TFs) only. However, the simultaneous arrival of TFs is a strong assumption, since transcription and translation of genes introduce intrinsic time delays and there is no global synchronisation among the arrival times of different molecular species at their targets. We present an experimentally implementable genetic circuit with two inputs and one output, which in the presence of small delays in input arrival, exhibits qualitatively distinct population-level phenotypes, over timescales that are longer than typical cell doubling times. From a dynamical systems point of view, these phenotypes represent long-lived transients: although they converge to the same value eventually, they do so after a very long time span. The key feature of this toy model genetic circuit is that, despite having only two inputs and one output, it is regulated by twenty-three distinct DNA-TF configurations, two of which are more stable than others (DNA looped states), one promoting and another blocking the expression of the output gene. Small delays in input arrival time result in a majority of cells in the population quickly reaching the stable state associated with the first input, while exiting of this stable state occurs at a slow timescale. In order to mechanistically model the behaviour of this genetic circuit, we used a rule-based modelling language, and implemented a grid-search to find parameter combinations giving rise to long-lived transients. Our analysis shows that in the absence of feedback, there exist path-dependent gene regulatory mechanisms based on the long timescale of transients. The behaviour of this toy model circuit suggests that gene regulatory networks can exploit event timing to create phenotypes, and it opens the possibility that they could use event timing to memorise events, without regulatory feedback. The model reveals the importance of (i) mechanistically modelling the transitions between the different DNA-TF states, and (ii) employing transient analysis thereof.},
author = {Petrov, Tatjana and Igler, Claudia and Sezgin, Ali and Henzinger, Thomas A and Guet, Calin C},
issn = {03043975},
journal = {Theoretical Computer Science},
publisher = {Elsevier},
title = {{Long lived transients in gene regulation}},
doi = {10.1016/j.tcs.2021.05.023},
year = {2021},
}
@inproceedings{9646,
abstract = {We consider the fundamental problem of deriving quantitative bounds on the probability that a given assertion is violated in a probabilistic program. We provide automated algorithms that obtain both lower and upper bounds on the assertion violation probability. The main novelty of our approach is that we prove new and dedicated fixed-point theorems which serve as the theoretical basis of our algorithms and enable us to reason about assertion violation bounds in terms of pre and post fixed-point functions. To synthesize such fixed-points, we devise algorithms that utilize a wide range of mathematical tools, including repulsing ranking supermartingales, Hoeffding's lemma, Minkowski decompositions, Jensen's inequality, and convex optimization. On the theoretical side, we provide (i) the first automated algorithm for lower-bounds on assertion violation probabilities, (ii) the first complete algorithm for upper-bounds of exponential form in affine programs, and (iii) provably and significantly tighter upper-bounds than the previous approaches. On the practical side, we show our algorithms can handle a wide variety of programs from the literature and synthesize bounds that are remarkably tighter than previous results, in some cases by thousands of orders of magnitude.},
author = {Wang, Jinyi and Sun, Yican and Fu, Hongfei and Chatterjee, Krishnendu and Goharshady, Amir Kafshdar},
booktitle = {Proceedings of the 42nd ACM SIGPLAN International Conference on Programming Language Design and Implementation},
isbn = {9781450383912},
location = {Online},
pages = {1171--1186},
publisher = {Association for Computing Machinery},
title = {{Quantitative analysis of assertion violations in probabilistic programs}},
doi = {10.1145/3453483.3454102},
year = {2021},
}
@inproceedings{9645,
abstract = {We consider the fundamental problem of reachability analysis over imperative programs with real variables. Previous works that tackle reachability are either unable to handle programs consisting of general loops (e.g. symbolic execution), or lack completeness guarantees (e.g. abstract interpretation), or are not automated (e.g. incorrectness logic). In contrast, we propose a novel approach for reachability analysis that can handle general and complex loops, is complete, and can be entirely automated for a wide family of programs. Through the notion of Inductive Reachability Witnesses (IRWs), our approach extends ideas from both invariant generation and termination to reachability analysis.
We first show that our IRW-based approach is sound and complete for reachability analysis of imperative programs. Then, we focus on linear and polynomial programs and develop automated methods for synthesizing linear and polynomial IRWs. In the linear case, we follow the well-known approaches using Farkas' Lemma. Our main contribution is in the polynomial case, where we present a push-button semi-complete algorithm. We achieve this using a novel combination of classical theorems in real algebraic geometry, such as Putinar's Positivstellensatz and Hilbert's Strong Nullstellensatz. Finally, our experimental results show we can prove complex reachability objectives over various benchmarks that were beyond the reach of previous methods.},
author = {Asadi, Ali and Chatterjee, Krishnendu and Fu, Hongfei and Goharshady, Amir Kafshdar and Mahdavi, Mohammad},
booktitle = {Proceedings of the 42nd ACM SIGPLAN International Conference on Programming Language Design and Implementation},
isbn = {9781450383912},
location = {Online},
pages = {772--787},
publisher = {Association for Computing Machinery},
title = {{Polynomial reachability witnesses via Stellensätze}},
doi = {10.1145/3453483.3454076},
year = {2021},
}
@inproceedings{9644,
abstract = {We present a new approach to proving non-termination of non-deterministic integer programs. Our technique is rather simple but efficient. It relies on a purely syntactic reversal of the program's transition system followed by a constraint-based invariant synthesis with constraints coming from both the original and the reversed transition system. The latter task is performed by a simple call to an off-the-shelf SMT-solver, which allows us to leverage the latest advances in SMT-solving. Moreover, our method offers a combination of features not present (as a whole) in previous approaches: it handles programs with non-determinism, provides relative completeness guarantees and supports programs with polynomial arithmetic. The experiments performed with our prototype tool RevTerm show that our approach, despite its simplicity and stronger theoretical guarantees, is at least on par with the state-of-the-art tools, often achieving a non-trivial improvement under a proper configuration of its parameters.},
author = {Chatterjee, Krishnendu and Goharshady, Ehsan Kafshdar and Novotný, Petr and Zikelic, Dorde},
booktitle = {Proceedings of the 42nd ACM SIGPLAN International Conference on Programming Language Design and Implementation},
isbn = {9781450383912},
location = {Online},
pages = {1033--1048},
publisher = {Association for Computing Machinery},
title = {{Proving non-termination by program reversal}},
doi = {10.1145/3453483.3454093},
year = {2021},
}
@article{9649,
abstract = {Isomanifolds are the generalization of isosurfaces to arbitrary dimension and codimension, i.e. manifolds defined as the zero set of some multivariate vector-valued smooth function f : Rd → Rd−n. A natural (and efficient) way to approximate an isomanifold is to consider its Piecewise-Linear (PL) approximation based on a triangulation T of the ambient space Rd. In this paper, we give conditions under which the PL-approximation of an isomanifold is topologically equivalent to the isomanifold. The conditions are easy to satisfy in the sense that they can always be met by taking a sufficiently
fine triangulation T . This contrasts with previous results on the triangulation of manifolds where, in arbitrary dimensions, delicate perturbations are needed to guarantee topological correctness, which leads to strong limitations in practice. We further give a bound on the Fréchet distance between the original isomanifold and its PL-approximation. Finally we show analogous results for the PL-approximation of an isomanifold with boundary.},
author = {Boissonnat, Jean-Daniel and Wintraecken, Mathijs},
journal = {Foundations of Computational Mathematics },
publisher = {Springer Nature},
title = {{The topological correctness of PL approximations of isomanifolds}},
doi = {10.1007/s10208-021-09520-0},
year = {2021},
}
@unpublished{9698,
abstract = {Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this requires a confluence and coaction of expertise in computer science and physical sciences. This review is written for new and experienced researchers working at the intersection of both fields. We first provide concise tutorials of computational chemistry and machine learning methods, showing how insights involving both can be achieved. We then follow with a critical review of noteworthy applications that demonstrate how computational chemistry and machine learning can be used together to provide insightful (and useful) predictions in molecular and materials modeling, retrosyntheses, catalysis, and drug design.},
author = {Keith, John A. and Valentin Vassilev-Galindo, Valentin and Cheng, Bingqing and Chmiela, Stefan and Gastegger, Michael and Müller, Klaus-Robert and Tkatchenko, Alexandre},
booktitle = {arXiv},
title = {{Combining machine learning and computational chemistry for predictive insights into chemical systems}},
year = {2021},
}
@inproceedings{9678,
abstract = {We introduce a new graph problem, the token dropping game, and we show how to solve it efficiently in a distributed setting. We use the token dropping game as a tool to design an efficient distributed algorithm for stable orientations and more generally for locally optimal semi-matchings. The prior work by Czygrinow et al. (DISC 2012) finds a stable orientation in O(Δ^5) rounds in graphs of maximum degree Δ, while we improve it to O(Δ^4) and also prove a lower bound of Ω(Δ). For the more general problem of locally optimal semi-matchings, the prior upper bound is O(S^5) and our new algorithm runs in O(C · S^4) rounds, which is an improvement for C = o(S); here C and S are the maximum degrees of customers and servers, respectively.},
author = {Brandt, Sebastian and Keller, Barbara and Rybicki, Joel and Suomela, Jukka and Uitto, Jara},
booktitle = {Annual ACM Symposium on Parallelism in Algorithms and Architectures},
isbn = {9781450380706},
location = { Virtual Event, United States},
pages = {129--139},
title = {{Efficient load-balancing through distributed token dropping}},
doi = {10.1145/3409964.3461785},
year = {2021},
}
@inproceedings{9441,
abstract = {Isomanifolds are the generalization of isosurfaces to arbitrary dimension and codimension, i.e. submanifolds of ℝ^d defined as the zero set of some multivariate multivalued smooth function f: ℝ^d → ℝ^{d-n}, where n is the intrinsic dimension of the manifold. A natural way to approximate a smooth isomanifold M is to consider its Piecewise-Linear (PL) approximation M̂ based on a triangulation 𝒯 of the ambient space ℝ^d. In this paper, we describe a simple algorithm to trace isomanifolds from a given starting point. The algorithm works for arbitrary dimensions n and d, and any precision D. Our main result is that, when f (or M) has bounded complexity, the complexity of the algorithm is polynomial in d and δ = 1/D (and unavoidably exponential in n). Since it is known that for δ = Ω (d^{2.5}), M̂ is O(D²)-close and isotopic to M, our algorithm produces a faithful PL-approximation of isomanifolds of bounded complexity in time polynomial in d. Combining this algorithm with dimensionality reduction techniques, the dependency on d in the size of M̂ can be completely removed with high probability. We also show that the algorithm can handle isomanifolds with boundary and, more generally, isostratifolds. The algorithm for isomanifolds with boundary has been implemented and experimental results are reported, showing that it is practical and can handle cases that are far ahead of the state-of-the-art. },
author = {Boissonnat, Jean-Daniel and Kachanovich, Siargey and Wintraecken, Mathijs},
booktitle = {37th International Symposium on Computational Geometry (SoCG 2021)},
isbn = {978-3-95977-184-9},
issn = {1868-8969},
location = {Virtual},
pages = {17:1--17:16},
publisher = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik},
title = {{Tracing isomanifolds in Rd in time polynomial in d using Coxeter-Freudenthal-Kuhn triangulations}},
doi = {10.4230/LIPIcs.SoCG.2021.17},
volume = {189},
year = {2021},
}
@inproceedings{9620,
abstract = {In this note, we introduce a distributed twist on the classic coupon collector problem: a set of m collectors wish to each obtain a set of n coupons; for this, they can each sample coupons uniformly at random, but can also meet in pairwise interactions, during which they can exchange coupons. By doing so, they hope to reduce the number of coupons that must be sampled by each collector in order to obtain a full set. This extension is natural when considering real-world manifestations of the coupon collector phenomenon, and has been remarked upon and studied empirically (Hayes and Hannigan 2006, Ahmad et al. 2014, Delmarcelle 2019).
We provide the first theoretical analysis for such a scenario. We find that “coupon collecting with friends” can indeed significantly reduce the number of coupons each collector must sample, and raises interesting connections to the more traditional variants of the problem. While our analysis is in most cases asymptotically tight, there are several open questions raised, regarding finer-grained analysis of both “coupon collecting with friends,” and of a long-studied variant of the original problem in which a collector requires multiple full sets of coupons.},
author = {Alistarh, Dan-Adrian and Davies, Peter},
booktitle = {Structural Information and Communication Complexity},
isbn = {9783030795269},
issn = {1611-3349},
location = {Wrocław, Poland},
pages = {3--12},
publisher = {Springer Nature},
title = {{Collecting coupons is faster with friends}},
doi = {10.1007/978-3-030-79527-6_1},
volume = {12810},
year = {2021},
}
@inproceedings{9200,
abstract = {Formal design of embedded and cyber-physical systems relies on mathematical modeling. In this paper, we consider the model class of hybrid automata whose dynamics are defined by affine differential equations. Given a set of time-series data, we present an algorithmic approach to synthesize a hybrid automaton exhibiting behavior that is close to the data, up to a specified precision, and changes in synchrony with the data. A fundamental problem in our synthesis algorithm is to check membership of a time series in a hybrid automaton. Our solution integrates reachability and optimization techniques for affine dynamical systems to obtain both a sufficient and a necessary condition for membership, combined in a refinement framework. The algorithm processes one time series at a time and hence can be interrupted, provide an intermediate result, and be resumed. We report experimental results demonstrating the applicability of our synthesis approach.},
author = {Garcia Soto, Miriam and Henzinger, Thomas A and Schilling, Christian},
booktitle = {HSCC '21: Proceedings of the 24th International Conference on Hybrid Systems: Computation and Control},
isbn = {9781450383394},
keywords = {hybrid automaton, membership, system identification},
location = {Nashville, TN, United States},
pages = {2102.12734},
publisher = {Association for Computing Machinery},
title = {{Synthesis of hybrid automata with affine dynamics from time-series data}},
doi = {10.1145/3447928.3456704},
year = {2021},
}
@inproceedings{9345,
abstract = {Modeling a crystal as a periodic point set, we present a fingerprint consisting of density functionsthat facilitates the efficient search for new materials and material properties. We prove invarianceunder isometries, continuity, and completeness in the generic case, which are necessary featuresfor the reliable comparison of crystals. The proof of continuity integrates methods from discretegeometry and lattice theory, while the proof of generic completeness combines techniques fromgeometry with analysis. The fingerprint has a fast algorithm based on Brillouin zones and relatedinclusion-exclusion formulae. We have implemented the algorithm and describe its application tocrystal structure prediction.},
author = {Edelsbrunner, Herbert and Heiss, Teresa and Kurlin , Vitaliy and Smith, Philip and Wintraecken, Mathijs},
booktitle = {37th International Symposium on Computational Geometry (SoCG 2021)},
issn = {1868-8969},
location = {Virtual},
pages = {32:1--32:16},
publisher = {Schloss Dagstuhl - Leibniz-Zentrum für Informatik},
title = {{The density fingerprint of a periodic point set}},
doi = {10.4230/LIPIcs.SoCG.2021.32},
volume = {189},
year = {2021},
}
@inproceedings{9296,
abstract = { matching is compatible to two or more labeled point sets of size n with labels {1,…,n} if its straight-line drawing on each of these point sets is crossing-free. We study the maximum number of edges in a matching compatible to two or more labeled point sets in general position in the plane. We show that for any two labeled convex sets of n points there exists a compatible matching with ⌊2n−−√⌋ edges. More generally, for any ℓ labeled point sets we construct compatible matchings of size Ω(n1/ℓ) . As a corresponding upper bound, we use probabilistic arguments to show that for any ℓ given sets of n points there exists a labeling of each set such that the largest compatible matching has O(n2/(ℓ+1)) edges. Finally, we show that Θ(logn) copies of any set of n points are necessary and sufficient for the existence of a labeling such that any compatible matching consists only of a single edge.},
author = {Aichholzer, Oswin and Arroyo Guevara, Alan M and Masárová, Zuzana and Parada, Irene and Perz, Daniel and Pilz, Alexander and Tkadlec, Josef and Vogtenhuber, Birgit},
booktitle = {15th International Conference on Algorithms and Computation},
isbn = {9783030682101},
issn = {16113349},
location = {Yangon, Myanmar},
pages = {221--233},
publisher = {Springer Nature},
title = {{On compatible matchings}},
doi = {10.1007/978-3-030-68211-8_18},
volume = {12635},
year = {2021},
}
@article{9640,
abstract = {Selection and random drift determine the probability that novel mutations fixate in a population. Population structure is known to affect the dynamics of the evolutionary process. Amplifiers of selection are population structures that increase the fixation probability of beneficial mutants compared to well-mixed populations. Over the past 15 years, extensive research has produced remarkable structures called strong amplifiers which guarantee that every beneficial mutation fixates with high probability. But strong amplification has come at the cost of considerably delaying the fixation event, which can slow down the overall rate of evolution. However, the precise relationship between fixation probability and time has remained elusive. Here we characterize the slowdown effect of strong amplification. First, we prove that all strong amplifiers must delay the fixation event at least to some extent. Second, we construct strong amplifiers that delay the fixation event only marginally as compared to the well-mixed populations. Our results thus establish a tight relationship between fixation probability and time: Strong amplification always comes at a cost of a slowdown, but more than a marginal slowdown is not needed.},
author = {Tkadlec, Josef and Pavlogiannis, Andreas and Chatterjee, Krishnendu and Nowak, Martin A.},
issn = {20411723},
journal = {Nature Communications},
number = {1},
publisher = {Springer Nature},
title = {{Fast and strong amplifiers of natural selection}},
doi = {10.1038/s41467-021-24271-w},
volume = {12},
year = {2021},
}
@phdthesis{9418,
abstract = {Deep learning is best known for its empirical success across a wide range of applications
spanning computer vision, natural language processing and speech. Of equal significance,
though perhaps less known, are its ramifications for learning theory: deep networks have
been observed to perform surprisingly well in the high-capacity regime, aka the overfitting
or underspecified regime. Classically, this regime on the far right of the bias-variance curve
is associated with poor generalisation; however, recent experiments with deep networks
challenge this view.
This thesis is devoted to investigating various aspects of underspecification in deep learning.
First, we argue that deep learning models are underspecified on two levels: a) any given
training dataset can be fit by many different functions, and b) any given function can be
expressed by many different parameter configurations. We refer to the second kind of
underspecification as parameterisation redundancy and we precisely characterise its extent.
Second, we characterise the implicit criteria (the inductive bias) that guide learning in the
underspecified regime. Specifically, we consider a nonlinear but tractable classification
setting, and show that given the choice, neural networks learn classifiers with a large margin.
Third, we consider learning scenarios where the inductive bias is not by itself sufficient to
deal with underspecification. We then study different ways of ‘tightening the specification’: i)
In the setting of representation learning with variational autoencoders, we propose a hand-
crafted regulariser based on mutual information. ii) In the setting of binary classification, we
consider soft-label (real-valued) supervision. We derive a generalisation bound for linear
networks supervised in this way and verify that soft labels facilitate fast learning. Finally, we
explore an application of soft-label supervision to the training of multi-exit models.},
author = {Bui Thi Mai, Phuong},
pages = {125},
publisher = {IST Austria},
title = {{Underspecification in Deep Learning}},
doi = {10.15479/AT:ISTA:9418},
year = {2021},
}
@inproceedings{9543,
abstract = {We consider the problem ofdistributed mean estimation (DME), in which n machines are each given a local d-dimensional vector xv∈Rd, and must cooperate to estimate the mean of their inputs μ=1n∑nv=1xv, while minimizing total communication cost. DME is a fundamental construct in distributed machine learning, and there has been considerable work on variants of this problem, especially in the context of distributed variance reduction for stochastic gradients in parallel SGD. Previous work typically assumes an upper bound on the norm of the input vectors, and achieves an error bound in terms of this norm. However, in many real applications, the input vectors are concentrated around the correct output μ, but μ itself has large norm. In such cases, previous output error bounds perform poorly. In this paper, we show that output error bounds need not depend on input norm. We provide a method of quantization which allows distributed mean estimation to be performed with solution quality dependent only on the distance between inputs, not on input norm, and show an analogous result for distributed variance reduction. The technique is based on a new connection with lattice theory. We also provide lower bounds showing that the communication to error trade-off of our algorithms is asymptotically optimal. As the lattices achieving optimal bounds under l2-norm can be computationally impractical, we also present an extension which leverages easy-to-use cubic lattices, and is loose only up to a logarithmic factor ind. We show experimentally that our method yields practical improvements for common applications, relative to prior approaches.},
author = {Davies, Peter and Gurunanthan, Vijaykrishna and Moshrefi, Niusha and Ashkboos, Saleh and Alistarh, Dan-Adrian},
booktitle = {9th International Conference on Learning Representations},
location = {Virtual},
title = {{New bounds for distributed mean estimation and variance reduction}},
year = {2021},
}
@inproceedings{9416,
abstract = {We study the inductive bias of two-layer ReLU networks trained by gradient flow. We identify a class of easy-to-learn (`orthogonally separable') datasets, and characterise the solution that ReLU networks trained on such datasets converge to. Irrespective of network width, the solution turns out to be a combination of two max-margin classifiers: one corresponding to the positive data subset and one corresponding to the negative data subset. The proof is based on the recently introduced concept of extremal sectors, for which we prove a number of properties in the context of orthogonal separability. In particular, we prove stationarity of activation patterns from some time onwards, which enables a reduction of the ReLU network to an ensemble of linear subnetworks.},
author = {Bui Thi Mai, Phuong and Lampert, Christoph},
booktitle = {9th International Conference on Learning Representations},
location = {Virtual},
title = {{The inductive bias of ReLU networks on orthogonally separable data}},
year = {2021},
}
@article{9467,
abstract = {Turbulence in the flow of fluid through a pipe can be suppressed by buoyancy forces. As the suppression of turbulence leads to severe heat transfer deterioration, this is an important and undesirable phenomenon in both heating and cooling applications. Vertical flow is often considered, as the axial buoyancy force can help drive the flow. With heating measured by the buoyancy parameter 𝐶, our direct numerical simulations show that shear-driven turbulence may either be completely laminarised or it transitions to a relatively quiescent convection-driven state. Buoyancy forces cause a flattening of the base flow profile, which in isothermal pipe flow has recently been linked to complete suppression of turbulence (Kühnen et al., Nat. Phys., vol. 14, 2018, pp. 386–390), and the flattened laminar base profile has enhanced nonlinear stability (Marensi et al., J. Fluid Mech., vol. 863, 2019, pp. 50–875). In agreement with these findings, the nonlinear lower-branch travelling-wave solution analysed here, which is believed to mediate transition to turbulence in isothermal pipe flow, is shown to be suppressed by buoyancy. A linear instability of the laminar base flow is responsible for the appearance of the relatively quiescent convection driven state for 𝐶≳4 across the range of Reynolds numbers considered. In the suppression of turbulence, however, i.e. in the transition from turbulence, we find clearer association with the analysis of He et al. (J. Fluid Mech., vol. 809, 2016, pp. 31–71) than with the above dynamical systems approach, which describes better the transition to turbulence. The laminarisation criterion He et al. propose, based on an apparent Reynolds number of the flow as measured by its driving pressure gradient, is found to capture the critical 𝐶=𝐶𝑐𝑟(𝑅𝑒) above which the flow will be laminarised or switch to the convection-driven type. Our analysis suggests that it is the weakened rolls, rather than the streaks, which appear to be critical for laminarisation.},
author = {Marensi, Elena and He, Shuisheng and Willis, Ashley P.},
issn = {14697645},
journal = {Journal of Fluid Mechanics},
publisher = {Cambridge University Press},
title = {{Suppression of turbulence and travelling waves in a vertical heated pipe}},
doi = {10.1017/jfm.2021.371},
volume = {919},
year = {2021},
}
@article{9761,
abstract = {The important roles of mitochondrial function and dysfunction in the process of neurodegeneration are widely acknowledged. Retinal ganglion cells (RGCs) appear to be a highly vulnerable neuronal cell type in the central nervous system with respect to mitochondrial dysfunction but the actual reasons for this are still incompletely understood. These cells have a unique circumstance where unmyelinated axons must bend nearly 90° to exit the eye and then cross a translaminar pressure gradient before becoming myelinated in the optic nerve. This region, the optic nerve head, contains some of the highest density of mitochondria present in these cells. Glaucoma represents a perfect storm of events occurring at this location, with a combination of changes in the translaminar pressure gradient and reassignment of the metabolic support functions of supporting glia, which appears to apply increased metabolic stress to the RGC axons leading to a failure of axonal transport mechanisms. However, RGCs themselves are also extremely sensitive to genetic mutations, particularly in genes affecting mitochondrial dynamics and mitochondrial clearance. These mutations, which systemically affect the mitochondria in every cell, often lead to an optic neuropathy as the sole pathologic defect in affected patients. This review summarizes knowledge of mitochondrial structure and function, the known energy demands of neurons in general, and places these in the context of normal and pathological characteristics of mitochondria attributed to RGCs. },
author = {Muench, Nicole A. and Patel, Sonia and Maes, Margaret E and Donahue, Ryan J. and Ikeda, Akihiro and Nickells, Robert W.},
issn = {20734409},
journal = {Cells},
number = {7},
publisher = {MDPI},
title = {{The influence of mitochondrial dynamics and function on retinal ganglion cell susceptibility in optic nerve disease}},
doi = {10.3390/cells10071593},
volume = {10},
year = {2021},
}
@article{9601,
abstract = {In mammalian genomes, differentially methylated regions (DMRs) and histone marks including trimethylation of histone 3 lysine 27 (H3K27me3) at imprinted genes are asymmetrically inherited to control parentally-biased gene expression. However, neither parent-of-origin-specific transcription nor imprints have been comprehensively mapped at the blastocyst stage of preimplantation development. Here, we address this by integrating transcriptomic and epigenomic approaches in mouse preimplantation embryos. We find that seventy-one genes exhibit previously unreported parent-of-origin-specific expression in blastocysts (nBiX: novel blastocyst-imprinted expressed). Uniparental expression of nBiX genes disappears soon after implantation. Micro-whole-genome bisulfite sequencing (µWGBS) of individual uniparental blastocysts detects 859 DMRs. We further find that 16% of nBiX genes are associated with a DMR, whereas most are associated with parentally-biased H3K27me3, suggesting a role for Polycomb-mediated imprinting in blastocysts. nBiX genes are clustered: five clusters contained at least one published imprinted gene, and five clusters exclusively contained nBiX genes. These data suggest that early development undergoes a complex program of stage-specific imprinting involving different tiers of regulation.},
author = {Santini, Laura and Halbritter, Florian and Titz-Teixeira, Fabian and Suzuki, Toru and Asami, Maki and Ma, Xiaoyan and Ramesmayer, Julia and Lackner, Andreas and Warr, Nick and Pauler, Florian and Hippenmeyer, Simon and Laue, Ernest and Farlik, Matthias and Bock, Christoph and Beyer, Andreas and Perry, Anthony C.F. and Leeb, Martin},
issn = {20411723},
journal = {Nature Communications},
number = {1},
publisher = {Springer Nature},
title = {{Genomic imprinting in mouse blastocysts is predominantly associated with H3K27me3}},
doi = {10.1038/s41467-021-23510-4},
volume = {12},
year = {2021},
}
@article{9602,
abstract = {An ordered graph is a graph with a linear ordering on its vertex set. We prove that for every positive integer k, there exists a constant ck > 0 such that any ordered graph G on n vertices with the property that neither G nor its complement contains an induced monotone path of size k, has either a clique or an independent set of size at least n^ck . This strengthens a result of Bousquet, Lagoutte, and Thomassé, who proved the analogous result for unordered graphs.
A key idea of the above paper was to show that any unordered graph on n vertices that does not contain an induced path of size k, and whose maximum degree is at most c(k)n for some small c(k) > 0, contains two disjoint linear size subsets with no edge between them. This approach fails for ordered graphs, because the analogous statement is false for k ≥ 3, by a construction of Fox. We provide some further examples showing that this statement also fails for ordered graphs avoiding other ordered trees.},
author = {Pach, János and Tomon, István},
issn = {00958956},
journal = {Journal of Combinatorial Theory. Series B},
pages = {21--37},
publisher = {Elsevier},
title = {{Erdős-Hajnal-type results for monotone paths}},
doi = {10.1016/j.jctb.2021.05.004},
volume = {151},
year = {2021},
}
@article{9759,
author = {Bartlett, Michael John and Arslan, Feyza N and Bankston, Adriana and Sarabipour, Sarvenaz},
issn = {15537358},
journal = {PLoS Computational Biology},
number = {7},
publisher = {Public Library of Science},
title = {{Ten simple rules to improve academic work- life balance}},
doi = {10.1371/journal.pcbi.1009124},
volume = {17},
year = {2021},
}
@article{9760,
abstract = {The quantum approximate optimization algorithm (QAOA) is a prospective near-term quantum algorithm due to its modest circuit depth and promising benchmarks. However, an external parameter optimization required in the QAOA could become a performance bottleneck. This motivates studies of the optimization landscape and search for heuristic ways of parameter initialization. In this work we visualize the optimization landscape of the QAOA applied to the MaxCut problem on random graphs, demonstrating that random initialization of the QAOA is prone to converging to local minima with suboptimal performance. We introduce the initialization of QAOA parameters based on the Trotterized quantum annealing (TQA) protocol, parameterized by the Trotter time step. We find that the TQA initialization allows to circumvent
the issue of false minima for a broad range of time steps, yielding the same performance as the best result out of an exponentially scaling number of random initializations. Moreover, we demonstrate that the optimal value of the time step coincides with the point of proliferation of Trotter errors in quantum annealing. Our results suggest practical ways of initializing QAOA protocols on near-term quantum devices and reveal new connections between QAOA and quantum annealing.},
author = {Sack, Stefan and Serbyn, Maksym},
issn = {2521327X},
journal = {Quantum},
publisher = {Quantum},
title = {{Quantum annealing initialization of the quantum approximate optimization algorithm}},
doi = {10.22331/Q-2021-07-01-491},
volume = {5},
year = {2021},
}
@article{7553,
abstract = {Normative theories and statistical inference provide complementary approaches for the study of biological systems. A normative theory postulates that organisms have adapted to efficiently solve essential tasks, and proceeds to mathematically work out testable consequences of such optimality; parameters that maximize the hypothesized organismal function can be derived ab initio, without reference to experimental data. In contrast, statistical inference focuses on efficient utilization of data to learn model parameters, without reference to any a priori notion of biological function, utility, or fitness. Traditionally, these two approaches were developed independently and applied separately. Here we unify them in a coherent Bayesian framework that embeds a normative theory into a family of maximum-entropy “optimization priors.” This family defines a smooth interpolation between a data-rich inference regime (characteristic of “bottom-up” statistical models), and a data-limited ab inito prediction regime (characteristic of “top-down” normative theory). We demonstrate the applicability of our framework using data from the visual cortex, and argue that the flexibility it affords is essential to address a number of fundamental challenges relating to inference and prediction in complex, high-dimensional biological problems.},
author = {Mlynarski, Wiktor F and Hledik, Michal and Sokolowski, Thomas R and Tkačik, Gašper},
journal = {Neuron},
number = {7},
pages = {1227--1241.e5},
publisher = {Cell Press},
title = {{Statistical analysis and optimality of neural systems}},
doi = {10.1016/j.neuron.2021.01.020},
volume = {109},
year = {2021},
}
@article{9316,
abstract = {Embryo morphogenesis is impacted by dynamic changes in tissue material properties, which have been proposed to occur via processes akin to phase transitions (PTs). Here, we show that rigidity percolation provides a simple and robust theoretical framework to predict material/structural PTs of embryonic tissues from local cell connectivity. By using percolation theory, combined with directly monitoring dynamic changes in tissue rheology and cell contact mechanics, we demonstrate that the zebrafish blastoderm undergoes a genuine rigidity PT, brought about by a small reduction in adhesion-dependent cell connectivity below a critical value. We quantitatively predict and experimentally verify hallmarks of PTs, including power-law exponents and associated discontinuities of macroscopic observables. Finally, we show that this uniform PT depends on blastoderm cells undergoing meta-synchronous divisions causing random and, consequently, uniform changes in cell connectivity. Collectively, our theoretical and experimental findings reveal the structural basis of material PTs in an organismal context.},
author = {Petridou, Nicoletta and Corominas-Murtra, Bernat and Heisenberg, Carl-Philipp J and Hannezo, Edouard B},
issn = {10974172},
journal = {Cell},
number = {7},
pages = {1914--1928.e19},
publisher = {Elsevier},
title = {{Rigidity percolation uncovers a structural basis for embryonic tissue phase transitions}},
doi = {10.1016/j.cell.2021.02.017},
volume = {184},
year = {2021},
}
@article{8430,
abstract = {While recent advancements in computation and modelling have improved the analysis of complex traits, our understanding of the genetic basis of the time at symptom onset remains limited. Here, we develop a Bayesian approach (BayesW) that provides probabilistic inference of the genetic architecture of age-at-onset phenotypes in a sampling scheme that facilitates biobank-scale time-to-event analyses. We show in extensive simulation work the benefits BayesW provides in terms of number of discoveries, model performance and genomic prediction. In the UK Biobank, we find many thousands of common genomic regions underlying the age-at-onset of high blood pressure (HBP), cardiac disease (CAD), and type-2 diabetes (T2D), and for the genetic basis of onset reflecting the underlying genetic liability to disease. Age-at-menopause and age-at-menarche are also highly polygenic, but with higher variance contributed by low frequency variants. Genomic prediction into the Estonian Biobank data shows that BayesW gives higher prediction accuracy than other approaches.},
author = {Ojavee, Sven E and Kousathanas, Athanasios and Trejo Banos, Daniel and Orliac, Etienne J and Patxot, Marion and Lall, Kristi and Magi, Reedik and Fischer, Krista and Kutalik, Zoltan and Robinson, Matthew Richard},
issn = {20411723},
journal = {Nature Communications},
number = {1},
publisher = {Nature Research},
title = {{Genomic architecture and prediction of censored time-to-event phenotypes with a Bayesian genome-wide analysis}},
doi = {10.1038/s41467-021-22538-w},
volume = {12},
year = {2021},
}
@article{9407,
abstract = {High impact epidemics constitute one of the largest threats humanity is facing in the 21st century. In the absence of pharmaceutical interventions, physical distancing together with testing, contact tracing and quarantining are crucial in slowing down epidemic dynamics. Yet, here we show that if testing capacities are limited, containment may fail dramatically because such combined countermeasures drastically change the rules of the epidemic transition: Instead of continuous, the response to countermeasures becomes discontinuous. Rather than following the conventional exponential growth, the outbreak that is initially strongly suppressed eventually accelerates and scales faster than exponential during an explosive growth period. As a consequence, containment measures either suffice to stop the outbreak at low total case numbers or fail catastrophically if marginally too weak, thus implying large uncertainties in reliably estimating overall epidemic dynamics, both during initial phases and during second wave scenarios.},
author = {Scarselli, Davide and Budanur, Nazmi B and Timme, Marc and Hof, Björn},
issn = {20411723},
journal = {Nature Communications},
number = {1},
publisher = {Springer Nature},
title = {{Discontinuous epidemic transition due to limited testing}},
doi = {10.1038/s41467-021-22725-9},
volume = {12},
year = {2021},
}
@article{9778,
abstract = {The hippocampal mossy fiber synapse is a key synapse of the trisynaptic circuit. Post-tetanic potentiation (PTP) is the most powerful form of plasticity at this synaptic connection. It is widely believed that mossy fiber PTP is an entirely presynaptic phenomenon, implying that PTP induction is input-specific, and requires neither activity of multiple inputs nor stimulation of postsynaptic neurons. To directly test cooperativity and associativity, we made paired recordings between single mossy fiber terminals and postsynaptic CA3 pyramidal neurons in rat brain slices. By stimulating non-overlapping mossy fiber inputs converging onto single CA3 neurons, we confirm that PTP is input-specific and non-cooperative. Unexpectedly, mossy fiber PTP exhibits anti-associative induction properties. EPSCs show only minimal PTP after combined pre- and postsynaptic high-frequency stimulation with intact postsynaptic Ca2+ signaling, but marked PTP in the absence of postsynaptic spiking and after suppression of postsynaptic Ca2+ signaling (10 mM EGTA). PTP is largely recovered by inhibitors of voltage-gated R- and L-type Ca2+ channels, group II mGluRs, and vacuolar-type H+-ATPase, suggesting the involvement of retrograde vesicular glutamate signaling. Transsynaptic regulation of PTP extends the repertoire of synaptic computations, implementing a brake on mossy fiber detonation and a “smart teacher” function of hippocampal mossy fiber synapses.},
author = {Vandael, David H and Okamoto, Yuji and Jonas, Peter M},
issn = {2041-1723},
journal = {Nature Communications},
keywords = {General Physics and Astronomy, General Biochemistry, Genetics and Molecular Biology, General Chemistry},
number = {1},
publisher = {Springer},
title = {{Transsynaptic modulation of presynaptic short-term plasticity in hippocampal mossy fiber synapses}},
doi = {10.1038/s41467-021-23153-5},
volume = {12},
year = {2021},
}
@article{9431,
abstract = {Inositol hexakisphosphate (IP6) is an assembly cofactor for HIV-1. We report here that IP6 is also used for assembly of Rous sarcoma virus (RSV), a retrovirus from a different genus. IP6 is ~100-fold more potent at promoting RSV mature capsid protein (CA) assembly than observed for HIV-1 and removal of IP6 in cells reduces infectivity by 100-fold. Here, visualized by cryo-electron tomography and subtomogram averaging, mature capsid-like particles show an IP6-like density in the CA hexamer, coordinated by rings of six lysines and six arginines. Phosphate and IP6 have opposing effects on CA in vitro assembly, inducing formation of T = 1 icosahedrons and tubes, respectively, implying that phosphate promotes pentamer and IP6 hexamer formation. Subtomogram averaging and classification optimized for analysis of pleomorphic retrovirus particles reveal that the heterogeneity of mature RSV CA polyhedrons results from an unexpected, intrinsic CA hexamer flexibility. In contrast, the CA pentamer forms rigid units organizing the local architecture. These different features of hexamers and pentamers determine the structural mechanism to form CA polyhedrons of variable shape in mature RSV particles.},
author = {Obr, Martin and Ricana, Clifton L. and Nikulin, Nadia and Feathers, Jon-Philip R. and Klanschnig, Marco and Thader, Andreas and Johnson, Marc C. and Vogt, Volker M. and Schur, Florian KM and Dick, Robert A.},
issn = {2041-1723},
journal = {Nature Communications},
keywords = {General Biochemistry, Genetics and Molecular Biology, General Physics and Astronomy, General Chemistry},
number = {1},
publisher = {Nature Research},
title = {{Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer}},
doi = {10.1038/s41467-021-23506-0},
volume = {12},
year = {2021},
}
@article{8909,
abstract = {Spin qubits are considered to be among the most promising candidates for building a quantum processor. Group IV hole spin qubits have moved into the focus of interest due to the ease of operation and compatibility with Si technology. In addition, Ge offers the option for monolithic superconductor-semiconductor integration. Here we demonstrate a hole spin qubit operating at fields below 10 mT, the critical field of Al, by exploiting the large out-of-plane hole g-factors in planar Ge and by encoding the qubit into the singlet-triplet states of a double quantum dot. We observe electrically controlled X and Z-rotations with tunable frequencies exceeding 100 MHz and dephasing times of 1μs which we extend beyond 15μs with echo techniques. These results show that Ge hole singlet triplet qubits outperform their electronic Si and GaAs based counterparts in speed and coherence, respectively. In addition, they are on par with Ge single spin qubits, but can be operated at much lower fields underlining their potential for on chip integration with superconducting technologies.},
author = {Jirovec, Daniel and Hofmann, Andrea C and Ballabio, Andrea and Mutter, Philipp M. and Tavani, Giulio and Botifoll, Marc and Crippa, Alessandro and Kukucka, Josip and Sagi, Oliver and Martins, Frederico and Saez Mollejo, Jaime and Prieto Gonzalez, Ivan and Borovkov, Maksim and Arbiol, Jordi and Chrastina, Daniel and Isella, Giovanni and Katsaros, Georgios},
issn = {1476-4660},
journal = {Nature Materials},
number = {8},
pages = {1106–1112},
publisher = {Springer Nature},
title = {{A singlet triplet hole spin qubit in planar Ge}},
doi = {10.1038/s41563-021-01022-2},
volume = {20},
year = {2021},
}
@misc{9323,
abstract = {This .zip File contains the data for figures presented in the main text and supplementary material of "A singlet triplet hole spin qubit in planar Ge" by D. Jirovec, et. al. The measurements were done using Labber Software and the data is stored in the hdf5 file format. The files can be opened using either the Labber Log Browser (https://labber.org/overview/) or Labber Python API (http://labber.org/online-doc/api/LogFile.html). A single file is acquired with QCodes and features the corresponding data type. XRD data are in .dat format and a code to open the data is provided. The code for simulations is as well provided in Python.},
author = {Jirovec, Daniel},
publisher = {IST Austria},
title = {{Research data for "A singlet-triplet hole spin qubit planar Ge"}},
doi = {10.15479/AT:ISTA:9323},
year = {2021},
}
@unpublished{9034,
abstract = {We determine an asymptotic formula for the number of integral points of bounded height on a blow-up of $\mathbb{P}^3$ outside certain planes using universal torsors.},
author = {Wilsch, Florian Alexander},
booktitle = {arXiv},
title = {{Integral points of bounded height on a log Fano threefold}},
year = {2021},
}
@article{9642,
abstract = {Perineuronal nets (PNNs), components of the extracellular matrix, preferentially coat parvalbumin-positive interneurons and constrain critical-period plasticity in the adult cerebral cortex. Current strategies to remove PNN are long-lasting, invasive, and trigger neuropsychiatric symptoms. Here, we apply repeated anesthetic ketamine as a method with minimal behavioral effect. We find that this paradigm strongly reduces PNN coating in the healthy adult brain and promotes juvenile-like plasticity. Microglia are critically involved in PNN loss because they engage with parvalbumin-positive neurons in their defined cortical layer. We identify external 60-Hz light-flickering entrainment to recapitulate microglia-mediated PNN removal. Importantly, 40-Hz frequency, which is known to remove amyloid plaques, does not induce PNN loss, suggesting microglia might functionally tune to distinct brain frequencies. Thus, our 60-Hz light-entrainment strategy provides an alternative form of PNN intervention in the healthy adult brain.},
author = {Venturino, Alessandro and Schulz, Rouven and De Jesús-Cortés, Héctor and Maes, Margaret E and Nagy, Balint and Reilly-Andújar, Francis and Colombo, Gloria and Cubero, Ryan J and Schoot Uiterkamp, Florianne E and Bear, Mark F. and Siegert, Sandra},
issn = {22111247},
journal = {Cell Reports},
number = {1},
publisher = {Elsevier},
title = {{Microglia enable mature perineuronal nets disassembly upon anesthetic ketamine exposure or 60-Hz light entrainment in the healthy brain}},
doi = {10.1016/j.celrep.2021.109313},
volume = {36},
year = {2021},
}
@article{9603,
abstract = {Mosaic analysis with double markers (MADM) offers one approach to visualize and concomitantly manipulate genetically defined cells in mice with single-cell resolution. MADM applications include the analysis of lineage, single-cell morphology and physiology, genomic imprinting phenotypes, and dissection of cell-autonomous gene functions in vivo in health and disease. Yet, MADM can only be applied to <25% of all mouse genes on select chromosomes to date. To overcome this limitation, we generate transgenic mice with knocked-in MADM cassettes near the centromeres of all 19 autosomes and validate their use across organs. With this resource, >96% of the entire mouse genome can now be subjected to single-cell genetic mosaic analysis. Beyond a proof of principle, we apply our MADM library to systematically trace sister chromatid segregation in distinct mitotic cell lineages. We find striking chromosome-specific biases in segregation patterns, reflecting a putative mechanism for the asymmetric segregation of genetic determinants in somatic stem cell division.},
author = {Contreras, Ximena and Amberg, Nicole and Davaatseren, Amarbayasgalan and Hansen, Andi H and Sonntag, Johanna and Andersen, Lill and Bernthaler, Tina and Streicher, Carmen and Heger, Anna-Magdalena and Johnson, Randy L. and Schwarz, Lindsay A. and Luo, Liqun and Rülicke, Thomas and Hippenmeyer, Simon},
issn = {22111247},
journal = {Cell Reports},
number = {12},
publisher = {Cell Press},
title = {{A genome-wide library of MADM mice for single-cell genetic mosaic analysis}},
doi = {10.1016/j.celrep.2021.109274},
volume = {35},
year = {2021},
}
@article{8910,
abstract = {A semiconducting nanowire fully wrapped by a superconducting shell has been proposed as a platform for obtaining Majorana modes at small magnetic fields. In this study, we demonstrate that the appearance of subgap states in such structures is actually governed by the junction region in tunneling spectroscopy measurements and not the full-shell nanowire itself. Short tunneling regions never show subgap states, whereas longer junctions always do. This can be understood in terms of quantum dots forming in the junction and hosting Andreev levels in the Yu-Shiba-Rusinov regime. The intricate magnetic field dependence of the Andreev levels, through both the Zeeman and Little-Parks effects, may result in robust zero-bias peaks—features that could be easily misinterpreted as originating from Majorana zero modes but are unrelated to topological superconductivity.},
author = {Valentini, Marco and Peñaranda, Fernando and Hofmann, Andrea C and Brauns, Matthias and Hauschild, Robert and Krogstrup, Peter and San-Jose, Pablo and Prada, Elsa and Aguado, Ramón and Katsaros, Georgios},
issn = {10959203},
journal = {Science},
number = {6550},
publisher = {American Association for the Advancement of Science},
title = {{Nontopological zero-bias peaks in full-shell nanowires induced by flux-tunable Andreev states}},
doi = {10.1126/science.abf1513},
volume = {373},
year = {2021},
}
@article{6965,
abstract = {The central object of investigation of this paper is the Hirzebruch class, a deformation of the Todd class, given by Hirzebruch (for smooth varieties). The generalization for singular varieties is due to Brasselet–Schürmann–Yokura. Following the work of Weber, we investigate its equivariant version for (possibly singular) toric varieties. The local decomposition of the Hirzebruch class to the fixed points of the torus action and a formula for the local class in terms of the defining fan are recalled. After this review part, we prove the positivity of local Hirzebruch classes for all toric varieties, thus proving false the alleged counterexample given by Weber.},
author = {Rychlewicz, Kamil P},
issn = {1469-2120},
journal = {Bulletin of the London Mathematical Society},
number = {2},
pages = {560--574},
publisher = {Wiley},
title = {{The positivity of local equivariant Hirzebruch class for toric varieties}},
doi = {10.1112/blms.12442},
volume = {53},
year = {2021},
}
@misc{9389,
abstract = {This .zip File contains the transport data for "Non-topological zero bias peaks in full-shell nanowires induced by flux tunable Andreev states" by M. Valentini, et. al.
The measurements were done using Labber Software and the data is stored in the hdf5 file format.
Instructions of how to read the data are in "Notebook_Valentini.pdf".},
author = {Valentini, Marco},
publisher = {IST Austria},
title = {{Research data for "Non-topological zero bias peaks in full-shell nanowires induced by flux tunable Andreev states"}},
doi = {10.15479/AT:ISTA:9389},
year = {2021},
}
@article{9037,
abstract = {We continue our study of ‘no‐dimension’ analogues of basic theorems in combinatorial and convex geometry in Banach spaces. We generalize some results of the paper (Adiprasito, Bárány and Mustafa, ‘Theorems of Carathéodory, Helly, and Tverberg without dimension’, Proceedings of the Thirtieth Annual ACM‐SIAM Symposium on Discrete Algorithms (Society for Industrial and Applied Mathematics, San Diego, California, 2019) 2350–2360) and prove no‐dimension versions of the colored Tverberg theorem, the selection lemma and the weak 𝜀 ‐net theorem in Banach spaces of type 𝑝>1 . To prove these results, we use the original ideas of Adiprasito, Bárány and Mustafa for the Euclidean case, our no‐dimension version of the Radon theorem and slightly modified version of the celebrated Maurey lemma.},
author = {Ivanov, Grigory},
issn = {14692120},
journal = {Bulletin of the London Mathematical Society},
number = {2},
pages = {631--641},
publisher = {London Mathematical Society},
title = {{No-dimension Tverberg's theorem and its corollaries in Banach spaces of type p}},
doi = {10.1112/blms.12449},
volume = {53},
year = {2021},
}