@article{14751, abstract = {We consider zero-error communication over a two-transmitter deterministic adversarial multiple access channel (MAC) governed by an adversary who has access to the transmissions of both senders (hence called omniscient ) and aims to maliciously corrupt the communication. None of the encoders, jammer and decoder is allowed to randomize using private or public randomness. This enforces a combinatorial nature of the problem. Our model covers a large family of channels studied in the literature, including all deterministic discrete memoryless noisy or noiseless MACs. In this work, given an arbitrary two-transmitter deterministic omniscient adversarial MAC, we characterize when the capacity region: 1) has nonempty interior (in particular, is two-dimensional); 2) consists of two line segments (in particular, has empty interior); 3) consists of one line segment (in particular, is one-dimensional); 4) or only contains (0,0) (in particular, is zero-dimensional). This extends a recent result by Wang et al. (201 9) from the point-to-point setting to the multiple access setting. Indeed, our converse arguments build upon their generalized Plotkin bound and involve delicate case analysis. One of the technical challenges is to take care of both “joint confusability” and “marginal confusability”. In particular, the treatment of marginal confusability does not follow from the point-to-point results by Wang et al. Our achievability results follow from random coding with expurgation.}, author = {Zhang, Yihan}, issn = {1557-9654}, journal = {IEEE Transactions on Information Theory}, keywords = {Computer Science Applications, Information Systems}, number = {7}, pages = {4093--4127}, publisher = {Institute of Electrical and Electronics Engineers}, title = {{Zero-error communication over adversarial MACs}}, doi = {10.1109/tit.2023.3257239}, volume = {69}, year = {2023}, } @article{14776, abstract = {Soluble chaperones residing in the endoplasmic reticulum (ER) play vitally important roles in folding and quality control of newly synthesized proteins that transiently pass through the ER en route to their final destinations. These soluble residents of the ER are themselves endowed with an ER retrieval signal that enables the cell to bring the escaped residents back from the Golgi. Here, by using purified proteins, we showed that Nicotiana tabacum phytaspase, a plant aspartate-specific protease, introduces two breaks at the C-terminus of the N. tabacum ER resident calreticulin-3. These cleavages resulted in removal of either a dipeptide or a hexapeptide from the C-terminus of calreticulin-3 encompassing part or all of the ER retrieval signal. Consistently, expression of the calreticulin-3 derivative mimicking the phytaspase cleavage product in Nicotiana benthamiana cells demonstrated loss of the ER accumulation of the protein. Notably, upon its escape from the ER, calreticulin-3 was further processed by an unknown protease(s) to generate the free N-terminal (N) domain of calreticulin-3, which was ultimately secreted into the apoplast. Our study thus identified a specific proteolytic enzyme capable of precise detachment of the ER retrieval signal from a plant ER resident protein, with implications for the further fate of the escaped resident.}, author = {Teplova, Anastasiia and Pigidanov, Artemii A. and Serebryakova, Marina V. and Golyshev, Sergei A. and Galiullina, Raisa A. and Chichkova, Nina V. and Vartapetian, Andrey B.}, issn = {1422-0067}, journal = {International Journal of Molecular Sciences}, keywords = {Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Computer Science Applications, Spectroscopy, Molecular Biology, General Medicine, Catalysis}, number = {22}, publisher = {MDPI}, title = {{Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3}}, doi = {10.3390/ijms242216527}, volume = {24}, year = {2023}, } @article{11556, abstract = {We revisit two basic Direct Simulation Monte Carlo Methods to model aggregation kinetics and extend them for aggregation processes with collisional fragmentation (shattering). We test the performance and accuracy of the extended methods and compare their performance with efficient deterministic finite-difference method applied to the same model. We validate the stochastic methods on the test problems and apply them to verify the existence of oscillating regimes in the aggregation-fragmentation kinetics recently detected in deterministic simulations. We confirm the emergence of steady oscillations of densities in such systems and prove the stability of the oscillations with respect to fluctuations and noise.}, author = {Kalinov, Aleksei and Osinskiy, A.I. and Matveev, S.A. and Otieno, W. and Brilliantov, N.V.}, issn = {0021-9991}, journal = {Journal of Computational Physics}, keywords = {Computer Science Applications, Physics and Astronomy (miscellaneous), Applied Mathematics, Computational Mathematics, Modeling and Simulation, Numerical Analysis}, publisher = {Elsevier}, title = {{Direct simulation Monte Carlo for new regimes in aggregation-fragmentation kinetics}}, doi = {10.1016/j.jcp.2022.111439}, volume = {467}, year = {2022}, } @article{9311, abstract = {Partially observable Markov decision processes (POMDPs) are standard models for dynamic systems with probabilistic and nondeterministic behaviour in uncertain environments. We prove that in POMDPs with long-run average objective, the decision maker has approximately optimal strategies with finite memory. This implies notably that approximating the long-run value is recursively enumerable, as well as a weak continuity property of the value with respect to the transition function. }, author = {Chatterjee, Krishnendu and Saona Urmeneta, Raimundo J and Ziliotto, Bruno}, issn = {1526-5471}, journal = {Mathematics of Operations Research}, keywords = {Management Science and Operations Research, General Mathematics, Computer Science Applications}, number = {1}, pages = {100--119}, publisher = {Institute for Operations Research and the Management Sciences}, title = {{Finite-memory strategies in POMDPs with long-run average objectives}}, doi = {10.1287/moor.2020.1116}, volume = {47}, year = {2022}, } @article{12134, abstract = {Standard epidemic models exhibit one continuous, second order phase transition to macroscopic outbreaks. However, interventions to control outbreaks may fundamentally alter epidemic dynamics. Here we reveal how such interventions modify the type of phase transition. In particular, we uncover three distinct types of explosive phase transitions for epidemic dynamics with capacity-limited interventions. Depending on the capacity limit, interventions may (i) leave the standard second order phase transition unchanged but exponentially suppress the probability of large outbreaks, (ii) induce a first-order discontinuous transition to macroscopic outbreaks, or (iii) cause a secondary explosive yet continuous third-order transition. These insights highlight inherent limitations in predicting and containing epidemic outbreaks. More generally our study offers a cornerstone example of a third-order explosive phase transition in complex systems.}, author = {Börner, Georg and Schröder, Malte and Scarselli, Davide and Budanur, Nazmi B and Hof, Björn and Timme, Marc}, issn = {2632-072X}, journal = {Journal of Physics: Complexity}, keywords = {Artificial Intelligence, Computer Networks and Communications, Computer Science Applications, Information Systems}, number = {4}, publisher = {IOP Publishing}, title = {{Explosive transitions in epidemic dynamics}}, doi = {10.1088/2632-072x/ac99cd}, volume = {3}, year = {2022}, } @article{12156, abstract = {Models of transcriptional regulation that assume equilibrium binding of transcription factors have been less successful at predicting gene expression from sequence in eukaryotes than in bacteria. This could be due to the non-equilibrium nature of eukaryotic regulation. Unfortunately, the space of possible non-equilibrium mechanisms is vast and predominantly uninteresting. The key question is therefore how this space can be navigated efficiently, to focus on mechanisms and models that are biologically relevant. In this review, we advocate for the normative role of theory—theory that prescribes rather than just describes—in providing such a focus. Theory should expand its remit beyond inferring mechanistic models from data, towards identifying non-equilibrium gene regulatory schemes that may have been evolutionarily selected, despite their energy consumption, because they are precise, reliable, fast, or otherwise outperform regulation at equilibrium. We illustrate our reasoning by toy examples for which we provide simulation code.}, author = {Zoller, Benjamin and Gregor, Thomas and Tkačik, Gašper}, issn = {2452-3100}, journal = {Current Opinion in Systems Biology}, keywords = {Applied Mathematics, Computer Science Applications, Drug Discovery, General Biochemistry, Genetics and Molecular Biology, Modeling and Simulation}, number = {9}, publisher = {Elsevier}, title = {{Eukaryotic gene regulation at equilibrium, or non?}}, doi = {10.1016/j.coisb.2022.100435}, volume = {31}, year = {2022}, } @article{14125, abstract = {Motivation: Recent technological advances have led to an increase in the production and availability of single-cell data. The ability to integrate a set of multi-technology measurements would allow the identification of biologically or clinically meaningful observations through the unification of the perspectives afforded by each technology. In most cases, however, profiling technologies consume the used cells and thus pairwise correspondences between datasets are lost. Due to the sheer size single-cell datasets can acquire, scalable algorithms that are able to universally match single-cell measurements carried out in one cell to its corresponding sibling in another technology are needed. Results: We propose Single-Cell data Integration via Matching (SCIM), a scalable approach to recover such correspondences in two or more technologies. SCIM assumes that cells share a common (low-dimensional) underlying structure and that the underlying cell distribution is approximately constant across technologies. It constructs a technology-invariant latent space using an autoencoder framework with an adversarial objective. Multi-modal datasets are integrated by pairing cells across technologies using a bipartite matching scheme that operates on the low-dimensional latent representations. We evaluate SCIM on a simulated cellular branching process and show that the cell-to-cell matches derived by SCIM reflect the same pseudotime on the simulated dataset. Moreover, we apply our method to two real-world scenarios, a melanoma tumor sample and a human bone marrow sample, where we pair cells from a scRNA dataset to their sibling cells in a CyTOF dataset achieving 90% and 78% cell-matching accuracy for each one of the samples, respectively.}, author = {Stark, Stefan G and Ficek, Joanna and Locatello, Francesco and Bonilla, Ximena and Chevrier, Stéphane and Singer, Franziska and Aebersold, Rudolf and Al-Quaddoomi, Faisal S and Albinus, Jonas and Alborelli, Ilaria and Andani, Sonali and Attinger, Per-Olof and Bacac, Marina and Baumhoer, Daniel and Beck-Schimmer, Beatrice and Beerenwinkel, Niko and Beisel, Christian and Bernasconi, Lara and Bertolini, Anne and Bodenmiller, Bernd and Bonilla, Ximena and Casanova, Ruben and Chevrier, Stéphane and Chicherova, Natalia and D'Costa, Maya and Danenberg, Esther and Davidson, Natalie and gan, Monica-Andreea Dră and Dummer, Reinhard and Engler, Stefanie and Erkens, Martin and Eschbach, Katja and Esposito, Cinzia and Fedier, André and Ferreira, Pedro and Ficek, Joanna and Frei, Anja L and Frey, Bruno and Goetze, Sandra and Grob, Linda and Gut, Gabriele and Günther, Detlef and Haberecker, Martina and Haeuptle, Pirmin and Heinzelmann-Schwarz, Viola and Herter, Sylvia and Holtackers, Rene and Huesser, Tamara and Irmisch, Anja and Jacob, Francis and Jacobs, Andrea and Jaeger, Tim M and Jahn, Katharina and James, Alva R and Jermann, Philip M and Kahles, André and Kahraman, Abdullah and Koelzer, Viktor H and Kuebler, Werner and Kuipers, Jack and Kunze, Christian P and Kurzeder, Christian and Lehmann, Kjong-Van and Levesque, Mitchell and Lugert, Sebastian and Maass, Gerd and Manz, Markus and Markolin, Philipp and Mena, Julien and Menzel, Ulrike and Metzler, Julian M and Miglino, Nicola and Milani, Emanuela S and Moch, Holger and Muenst, Simone and Murri, Riccardo and Ng, Charlotte KY and Nicolet, Stefan and Nowak, Marta and Pedrioli, Patrick GA and Pelkmans, Lucas and Piscuoglio, Salvatore and Prummer, Michael and Ritter, Mathilde and Rommel, Christian and Rosano-González, María L and Rätsch, Gunnar and Santacroce, Natascha and Castillo, Jacobo Sarabia del and Schlenker, Ramona and Schwalie, Petra C and Schwan, Severin and Schär, Tobias and Senti, Gabriela and Singer, Franziska and Sivapatham, Sujana and Snijder, Berend and Sobottka, Bettina and Sreedharan, Vipin T and Stark, Stefan and Stekhoven, Daniel J and Theocharides, Alexandre PA and Thomas, Tinu M and Tolnay, Markus and Tosevski, Vinko and Toussaint, Nora C and Tuncel, Mustafa A and Tusup, Marina and Drogen, Audrey Van and Vetter, Marcus and Vlajnic, Tatjana and Weber, Sandra and Weber, Walter P and Wegmann, Rebekka and Weller, Michael and Wendt, Fabian and Wey, Norbert and Wicki, Andreas and Wollscheid, Bernd and Yu, Shuqing and Ziegler, Johanna and Zimmermann, Marc and Zoche, Martin and Zuend, Gregor and Rätsch, Gunnar and Lehmann, Kjong-Van}, issn = {1367-4811}, journal = {Bioinformatics}, keywords = {Computational Mathematics, Computational Theory and Mathematics, Computer Science Applications, Molecular Biology, Biochemistry, Statistics and Probability}, number = {Supplement_2}, pages = {i919--i927}, publisher = {Oxford University Press}, title = {{SCIM: Universal single-cell matching with unpaired feature sets}}, doi = {10.1093/bioinformatics/btaa843}, volume = {36}, year = {2020}, } @article{8459, abstract = {Nuclear magnetic resonance (NMR) is a powerful tool for observing the motion of biomolecules at the atomic level. One technique, the analysis of relaxation dispersion phenomenon, is highly suited for studying the kinetics and thermodynamics of biological processes. Built on top of the relax computational environment for NMR dynamics is a new dispersion analysis designed to be comprehensive, accurate and easy-to-use. The software supports more models, both numeric and analytic, than current solutions. An automated protocol, available for scripting and driving the graphical user interface (GUI), is designed to simplify the analysis of dispersion data for NMR spectroscopists. Decreases in optimization time are granted by parallelization for running on computer clusters and by skipping an initial grid search by using parameters from one solution as the starting point for another —using analytic model results for the numeric models, taking advantage of model nesting, and using averaged non-clustered results for the clustered analysis.}, author = {Morin, Sébastien and Linnet, Troels E and Lescanne, Mathilde and Schanda, Paul and Thompson, Gary S and Tollinger, Martin and Teilum, Kaare and Gagné, Stéphane and Marion, Dominique and Griesinger, Christian and Blackledge, Martin and d’Auvergne, Edward J}, issn = {1367-4803}, journal = {Bioinformatics}, keywords = {Statistics and Probability, Computational Theory and Mathematics, Biochemistry, Molecular Biology, Computational Mathematics, Computer Science Applications}, number = {15}, pages = {2219--2220}, publisher = {Oxford University Press}, title = {{Relax: The analysis of biomolecular kinetics and thermodynamics using NMR relaxation dispersion data}}, doi = {10.1093/bioinformatics/btu166}, volume = {30}, year = {2014}, }