@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},
}

@inproceedings{11458,
  abstract     = {The increasing computational requirements of deep neural networks (DNNs) have led to significant interest in obtaining DNN models that are sparse, yet accurate. Recent work has investigated the even harder case of sparse training, where the DNN weights are, for as much as possible, already sparse to reduce computational costs during training. Existing sparse training methods are often empirical and can have lower accuracy relative to the dense baseline. In this paper, we present a general approach called Alternating Compressed/DeCompressed (AC/DC) training of DNNs, demonstrate convergence for a variant of the algorithm, and show that AC/DC outperforms existing sparse training methods in accuracy at similar computational budgets; at high sparsity levels, AC/DC even outperforms existing methods that rely on accurate pre-trained dense models. An important property of AC/DC is that it allows co-training of dense and sparse models, yielding accurate sparse–dense model pairs at the end of the training process. This is useful in practice, where compressed variants may be desirable for deployment in resource-constrained settings without re-doing the entire training flow, and also provides us with insights into the accuracy gap between dense and compressed models. The code is available at: https://github.com/IST-DASLab/ACDC.},
  author       = {Peste, Elena-Alexandra and Iofinova, Eugenia B and Vladu, Adrian and Alistarh, Dan-Adrian},
  booktitle    = {35th Conference on Neural Information Processing Systems},
  isbn         = {9781713845393},
  issn         = {1049-5258},
  location     = {Virtual, Online},
  pages        = {8557--8570},
  publisher    = {Neural Information Processing Systems Foundation},
  title        = {{AC/DC: Alternating Compressed/DeCompressed training of deep neural networks}},
  volume       = {34},
  year         = {2021},
}

@inproceedings{9969,
  abstract     = {Payment channel networks are a promising approach to improve the scalability of cryptocurrencies: they allow to perform transactions in a peer-to-peer fashion, along multihop routes in the network, without requiring consensus on the blockchain. However, during the discovery of cost-efficient routes for the transaction, critical information may be revealed about the transacting entities. This paper initiates the study of privacy-preserving route discovery mechanisms for payment channel networks. In particular, we present LightPIR, an approach which allows a client to learn the shortest (or cheapest in terms of fees) path between two nodes without revealing any information about the endpoints of the transaction to the servers. The two main observations which allow for an efficient solution in LightPIR are that: (1) surprisingly, hub labelling algorithms – which were developed to preprocess “street network like” graphs so one can later efficiently compute shortest paths – also perform well for the graphs underlying payment channel networks, and that (2) hub labelling algorithms can be conveniently combined with private information retrieval. LightPIR relies on a simple hub labeling heuristic on top of existing hub labeling algorithms which leverages the specific topological features of cryptocurrency networks to further minimize storage and bandwidth overheads. In a case study considering the Lightning network, we show that our approach is an order of magnitude more efficient compared to a privacy-preserving baseline based on using private information retrieval on a database that stores all pairs shortest paths.},
  author       = {Pietrzak, Krzysztof Z and Salem, Iosif and Schmid, Stefan and Yeo, Michelle X},
  isbn         = {978-1-6654-4501-6},
  issn         = {1861-2288},
  location     = {Espoo and Helsinki, Finland},
  publisher    = {IEEE},
  title        = {{LightPIR: Privacy-preserving route discovery for payment channel networks}},
  doi          = {10.23919/IFIPNetworking52078.2021.9472205},
  year         = {2021},
}

@article{9394,
  abstract     = {Chromosomal inversions have long been recognized for their role in local adaptation. By suppressing recombination in heterozygous individuals, they can maintain coadapted gene complexes and protect them from homogenizing effects of gene flow. However, to fully understand their importance for local adaptation we need to know their influence on phenotypes under divergent selection. For this, the marine snail Littorina saxatilis provides an ideal study system. Divergent ecotypes adapted to wave action and crab predation occur in close proximity on intertidal shores with gene flow between them. Here, we used F2 individuals obtained from crosses between the ecotypes to test for associations between genomic regions and traits distinguishing the Crab‐/Wave‐adapted ecotypes including size, shape, shell thickness, and behavior. We show that most of these traits are influenced by two previously detected inversion regions that are divergent between ecotypes. We thus gain a better understanding of one important underlying mechanism responsible for the rapid and repeated formation of ecotypes: divergent selection acting on inversions. We also found that some inversions contributed to more than one trait suggesting that they may contain several loci involved in adaptation, consistent with the hypothesis that suppression of recombination within inversions facilitates differentiation in the presence of gene flow.},
  author       = {Koch, Eva L. and Morales, Hernán E. and Larsson, Jenny and Westram, Anja M and Faria, Rui and Lemmon, Alan R. and Lemmon, E. Moriarty and Johannesson, Kerstin and Butlin, Roger K.},
  issn         = {2056-3744},
  journal      = {Evolution Letters},
  number       = {3},
  pages        = {196--213},
  publisher    = {Wiley},
  title        = {{Genetic variation for adaptive traits is associated with polymorphic inversions in Littorina saxatilis}},
  doi          = {10.1002/evl3.227},
  volume       = {5},
  year         = {2021},
}

@misc{12987,
  abstract     = {Chromosomal inversion polymorphisms, segments of chromosomes that are flipped in orientation and occur in reversed order in some individuals, have long been recognized to play an important role in local adaptation. They can reduce recombination in heterozygous individuals and thus help to maintain sets of locally adapted alleles. In a wide range of organisms, populations adapted to different habitats differ in frequency of inversion arrangements. However, getting a full understanding of the importance of inversions for adaptation requires confirmation of their influence on traits under divergent selection. Here, we studied a marine snail, Littorina saxatilis, that has evolved ecotypes adapted to wave exposure or crab predation. These two types occur in close proximity on different parts of the shore. Gene flow between them exists in contact zones. However, they exhibit strong phenotypic divergence in several traits under habitat-specific selection, including size, shape and behaviour. We used crosses between these ecotypes to identify genomic regions that explain variation in these traits by using QTL analysis and variance partitioning across linkage groups. We could show that previously detected inversion regions contribute to adaptive divergence. Some inversions influenced multiple traits suggesting that they contain sets of locally adaptive alleles. Our study also identified regions without known inversions that are important for phenotypic divergence. Thus, we provide a more complete overview of the importance of inversions in relation to the remaining genome.},
  author       = {Koch, Eva and Morales, Hernán E. and Larsson, Jenny and Westram, Anja M and Faria, Rui and Lemmon, Alan R. and Lemmon, E. Moriarty and Johannesson, Kerstin and Butlin, Roger K.},
  publisher    = {Dryad},
  title        = {{Data from: Genetic variation for adaptive traits is associated with polymorphic inversions in Littorina saxatilis}},
  doi          = {10.5061/DRYAD.ZGMSBCCB4},
  year         = {2021},
}

@article{9350,
  abstract     = {Intercellular adhesion is the key to multicellularity, and its malfunction plays an important role in various developmental and disease-related processes. Although it has been intensively studied by both biologists and physicists, a commonly accepted definition of cell-cell adhesion is still being debated. Cell-cell adhesion has been described at the molecular scale as a function of adhesion receptors controlling binding affinity, at the cellular scale as resistance to detachment forces or modulation of surface tension, and at the tissue scale as a regulator of cellular rearrangements and morphogenesis. In this review, we aim to summarize and discuss recent advances in the molecular, cellular, and theoretical description of cell-cell adhesion, ranging from biomimetic models to the complexity of cells and tissues in an organismal context. In particular, we will focus on cadherin-mediated cell-cell adhesion and the role of adhesion signaling and mechanosensation therein, two processes central for understanding the biological and physical basis of cell-cell adhesion.},
  author       = {Arslan, Feyza N and Eckert, Julia and Schmidt, Thomas and Heisenberg, Carl-Philipp J},
  issn         = {1542-0086},
  journal      = {Biophysical Journal},
  pages        = {4182--4192},
  publisher    = {Biophysical Society},
  title        = {{Holding it together: when cadherin meets cadherin}},
  doi          = {10.1016/j.bpj.2021.03.025},
  volume       = {120},
  year         = {2021},
}

@unpublished{12077,
  abstract     = {We compare the Manin-type conjecture for Campana points recently formulated
by Pieropan, Smeets, Tanimoto and V\'{a}rilly-Alvarado with an alternative
prediction of Browning and Van Valckenborgh in the special case of the orbifold
$(\mathbb{P}^1,D)$, where $D =\frac{1}{2}[0]+\frac{1}{2}[1]+\frac{1}{2}[\infty]$. We find that the two predicted leading constants do not agree, and we discuss whether thin sets
could explain this discrepancy. Motivated by this, we provide a counterexample
to the Manin-type conjecture for Campana points, by considering orbifolds
corresponding to squareful values of binary quadratic forms.},
  author       = {Shute, Alec L},
  booktitle    = {arXiv},
  title        = {{On the leading constant in the Manin-type conjecture for Campana points}},
  doi          = {10.48550/arXiv.2104.14946},
  year         = {2021},
}

@unpublished{12076,
  abstract     = {We find an asymptotic formula for the number of primitive vectors $(z_1,\ldots,z_4)\in (\mathbb{Z}_{\neq 0})^4$ such that $z_1,\ldots, z_4$ are all squareful and bounded by $B$, and $z_1+\cdots + z_4 = 0$. Our result agrees in the power of $B$ and $\log B$ with the Campana-Manin conjecture of Pieropan, Smeets, Tanimoto and V\'{a}rilly-Alvarado.},
  author       = {Shute, Alec L},
  booktitle    = {arXiv},
  title        = {{Sums of four squareful numbers}},
  doi          = {10.48550/arXiv.2104.06966},
  year         = {2021},
}

@unpublished{10803,
  abstract     = {Given the abundance of applications of ranking in recent years, addressing fairness concerns around automated ranking systems becomes necessary for increasing the trust among end-users. Previous work on fair ranking has mostly focused on application-specific fairness notions, often tailored to online advertising, and it rarely considers learning as part of the process. In this work, we show how to transfer numerous fairness notions from binary classification to a learning to rank setting. Our formalism allows us to design methods for incorporating fairness objectives with provable generalization guarantees. An extensive experimental evaluation shows that our method can improve ranking fairness substantially with no or only little loss of model quality.},
  author       = {Konstantinov, Nikola H and Lampert, Christoph},
  booktitle    = {arXiv},
  title        = {{Fairness through regularization for learning to rank}},
  doi          = {10.48550/arXiv.2102.05996},
  year         = {2021},
}

@unpublished{10762,
  abstract     = {Methods inspired from machine learning have recently attracted great interest in the computational study of quantum many-particle systems. So far, however, it has proven challenging to deal with microscopic models in which the total number of particles is not conserved. To address this issue, we propose a new variant of neural network states, which we term neural coherent states. Taking the Fröhlich impurity model as a case study, we show that neural coherent states can learn the ground state of non-additive systems very well. In particular, we observe substantial improvement over the standard coherent state estimates in the most challenging intermediate coupling regime. Our approach is generic and does not assume specific details of the system, suggesting wide applications.},
  author       = {Rzadkowski, Wojciech and Lemeshko, Mikhail and Mentink, Johan H.},
  booktitle    = {arXiv},
  pages        = {2105.15193},
  title        = {{Artificial neural network states for non-additive systems}},
  doi          = {10.48550/arXiv.2105.15193},
  year         = {2021},
}

@inproceedings{10665,
  abstract     = {Formal verification of neural networks is an active topic of research, and recent advances have significantly increased the size of the networks that verification tools can handle. However, most methods are designed for verification of an idealized model of the actual network which works over real arithmetic and ignores rounding imprecisions. This idealization is in stark contrast to network quantization, which is a technique that trades numerical precision for computational efficiency and is, therefore, often applied in practice. Neglecting rounding errors of such low-bit quantized neural networks has been shown to lead to wrong conclusions about the network’s correctness. Thus, the desired approach for verifying quantized neural networks would be one that takes these rounding errors
into account. In this paper, we show that verifying the bitexact implementation of quantized neural networks with bitvector specifications is PSPACE-hard, even though verifying idealized real-valued networks and satisfiability of bit-vector specifications alone are each in NP. Furthermore, we explore several practical heuristics toward closing the complexity gap between idealized and bit-exact verification. In particular, we propose three techniques for making SMT-based verification of quantized neural networks more scalable. Our experiments demonstrate that our proposed methods allow a speedup of up to three orders of magnitude over existing approaches.},
  author       = {Henzinger, Thomas A and Lechner, Mathias and Zikelic, Dorde},
  booktitle    = {Proceedings of the AAAI Conference on Artificial Intelligence},
  isbn         = {978-1-57735-866-4},
  issn         = {2374-3468},
  location     = {Virtual},
  number       = {5A},
  pages        = {3787--3795},
  publisher    = {AAAI Press},
  title        = {{Scalable verification of quantized neural networks}},
  volume       = {35},
  year         = {2021},
}

@inproceedings{10667,
  abstract     = {Bayesian neural networks (BNNs) place distributions over the weights of a neural network to model uncertainty in the data and the network's prediction. We consider the problem of verifying safety when running a Bayesian neural network policy in a feedback loop with infinite time horizon systems. Compared to the existing sampling-based approaches, which are inapplicable to the infinite time horizon setting, we train a separate deterministic neural network that serves as an infinite time horizon safety certificate. In particular, we show that the certificate network guarantees the safety of the system over a subset of the BNN weight posterior's support. Our method first computes a safe weight set and then alters the BNN's weight posterior to reject samples outside this set. Moreover, we show how to extend our approach to a safe-exploration reinforcement learning setting, in order to avoid unsafe trajectories during the training of the policy. We evaluate our approach on a series of reinforcement learning benchmarks, including non-Lyapunovian safety specifications.},
  author       = {Lechner, Mathias and Žikelić, Ðorđe and Chatterjee, Krishnendu and Henzinger, Thomas A},
  booktitle    = {35th Conference on Neural Information Processing Systems},
  location     = {Virtual},
  title        = {{Infinite time horizon safety of Bayesian neural networks}},
  doi          = {10.48550/arXiv.2111.03165},
  year         = {2021},
}

@inproceedings{10666,
  abstract     = {Adversarial training is an effective method to train deep learning models that are resilient to norm-bounded perturbations, with the cost of nominal performance drop. While adversarial training appears to enhance the robustness and safety of a deep model deployed in open-world decision-critical applications, counterintuitively, it induces undesired behaviors in robot learning settings. In this paper, we show theoretically and experimentally that neural controllers obtained via adversarial training are subjected to three types of defects, namely transient, systematic, and conditional errors. We first generalize adversarial training to a safety-domain optimization scheme allowing for more generic specifications. We then prove that such a learning process tends to cause certain error profiles. We support our theoretical results by a thorough experimental safety analysis in a robot-learning task. Our results suggest that adversarial training is not yet ready for robot learning.},
  author       = {Lechner, Mathias and Hasani, Ramin and Grosu, Radu and Rus, Daniela and Henzinger, Thomas A},
  booktitle    = {2021 IEEE International Conference on Robotics and Automation},
  isbn         = {978-1-7281-9078-5},
  issn         = {2577-087X},
  location     = {Xi'an, China},
  pages        = {4140--4147},
  title        = {{Adversarial training is not ready for robot learning}},
  doi          = {10.1109/ICRA48506.2021.9561036},
  year         = {2021},
}

@phdthesis{9022,
  abstract     = {In the first part of the thesis we consider Hermitian random matrices. Firstly, we consider sample covariance matrices XX∗ with X having independent identically distributed (i.i.d.) centred entries. We prove a Central Limit Theorem for differences of linear statistics of XX∗ and its minor after removing the first column of X. Secondly, we consider Wigner-type matrices and prove that the eigenvalue statistics near cusp singularities of the limiting density of states are universal and that they form a Pearcey process. Since the limiting eigenvalue distribution admits only square root (edge) and cubic root (cusp) singularities, this concludes the third and last remaining case of the Wigner-Dyson-Mehta universality conjecture. The main technical ingredients are an optimal local law at the cusp, and the proof of the fast relaxation to equilibrium of the Dyson Brownian motion in the cusp regime.
In the second part we consider non-Hermitian matrices X with centred i.i.d. entries. We normalise the entries of X to have variance N −1. It is well known that the empirical eigenvalue density converges to the uniform distribution on the unit disk (circular law). In the first project, we prove universality of the local eigenvalue statistics close to the edge of the spectrum. This is the non-Hermitian analogue of the TracyWidom universality at the Hermitian edge. Technically we analyse the evolution of the spectral distribution of X along the Ornstein-Uhlenbeck flow for very long time
(up to t = +∞). In the second project, we consider linear statistics of eigenvalues for macroscopic test functions f in the Sobolev space H2+ϵ and prove their convergence to the projection of the Gaussian Free Field on the unit disk. We prove this result for non-Hermitian matrices with real or complex entries. The main technical ingredients are: (i) local law for products of two resolvents at different spectral parameters, (ii) analysis of correlated Dyson Brownian motions.
In the third and final part we discuss the mathematically rigorous application of supersymmetric techniques (SUSY ) to give a lower tail estimate of the lowest singular value of X − z, with z ∈ C. More precisely, we use superbosonisation formula to give an integral representation of the resolvent of (X − z)(X − z)∗ which reduces to two and three contour integrals in the complex and real case, respectively. The rigorous analysis of these integrals is quite challenging since simple saddle point analysis cannot be applied (the main contribution comes from a non-trivial manifold). Our result
improves classical smoothing inequalities in the regime |z| ≈ 1; this result is essential to prove edge universality for i.i.d. non-Hermitian matrices.},
  author       = {Cipolloni, Giorgio},
  issn         = {2663-337X},
  pages        = {380},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Fluctuations in the spectrum of random matrices}},
  doi          = {10.15479/AT:ISTA:9022},
  year         = {2021},
}

@phdthesis{10422,
  abstract     = {Those who aim to devise new materials with desirable properties usually examine present methods first. However, they will find out that some approaches can exist only conceptually without high chances to become practically useful. It seems that a numerical technique called automatic differentiation together with increasing supply of computational accelerators will soon shift many methods of the material design from the category ”unimaginable” to the category ”expensive but possible”. Approach we suggest is not an exception. Our overall goal is to have an efficient and generalizable approach allowing to solve inverse design problems. In this thesis we scratch its surface. We consider jammed systems of identical particles. And ask ourselves how the shape of those particles (or the parameters codifying it) may affect mechanical properties of the system. An indispensable part of reaching the answer is an appropriate particle parametrization. We come up with a simple, yet generalizable and purposeful scheme for it. Using our generalizable shape parameterization, we simulate the formation of a solid composed of pentagonal-like particles and measure anisotropy in the resulting elastic response. Through automatic differentiation techniques, we directly connect the shape parameters with the elastic response. Interestingly, for our system we find that less isotropic particles lead to a more isotropic elastic response. Together with other results known about our method it seems that it can be successfully generalized for different inverse design problems.},
  author       = {Piankov, Anton},
  issn         = {2791-4585},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Towards designer materials using customizable particle shape}},
  doi          = {10.15479/at:ista:10422},
  year         = {2021},
}

@phdthesis{10030,
  abstract     = {This PhD thesis is primarily focused on the study of discrete transport problems, introduced for the first time in the seminal works of Maas [Maa11] and Mielke [Mie11] on finite state Markov chains and reaction-diffusion equations, respectively. More in detail, my research focuses on the study of transport costs on graphs, in particular the convergence and the stability of such problems in the discrete-to-continuum limit. This thesis also includes some results concerning
non-commutative optimal transport. The first chapter of this thesis consists of a general introduction to the optimal transport problems, both in the discrete, the continuous, and the non-commutative setting. Chapters 2 and 3 present the content of two works, obtained in collaboration with Peter Gladbach, Eva Kopfer, and Jan Maas, where we have been able to show the convergence of discrete transport costs on periodic graphs to suitable continuous ones, which can be described by means of a homogenisation result. We first focus on the particular case of quadratic costs on the real line and then extending the result to more general costs in arbitrary dimension. Our results are the first complete characterisation of limits of transport costs on periodic graphs in arbitrary dimension which do not rely on any additional symmetry. In Chapter 4 we turn our attention to one of the intriguing connection between evolution equations and optimal transport, represented by the theory of gradient flows. We show that discrete gradient flow structures associated to a finite volume approximation of a certain class of diffusive equations (Fokker–Planck) is stable in the limit of vanishing meshes, reproving the convergence of the scheme via the method of evolutionary Γ-convergence and exploiting a more variational point of view on the problem. This is based on a collaboration with Dominik Forkert and Jan Maas. Chapter 5 represents a change of perspective, moving away from the discrete world and reaching the non-commutative one. As in the discrete case, we discuss how classical tools coming from the commutative optimal transport can be translated into the setting of density matrices. In particular, in this final chapter we present a non-commutative version of the Schrödinger problem (or entropic regularised optimal transport problem) and discuss existence and characterisation of minimisers, a duality result, and present a non-commutative version of the well-known Sinkhorn algorithm to compute the above mentioned optimisers. This is based on a joint work with Dario Feliciangeli and Augusto Gerolin. Finally, Appendix A and B contain some additional material and discussions, with particular attention to Harnack inequalities and the regularity of flows on discrete spaces.},
  author       = {Portinale, Lorenzo},
  issn         = {2663-337X},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Discrete-to-continuum limits of transport problems and gradient flows in the space of measures}},
  doi          = {10.15479/at:ista:10030},
  year         = {2021},
}

@phdthesis{9733,
  abstract     = {This thesis is the result of the research carried out by the author during his PhD at IST Austria between 2017 and 2021. It mainly focuses on the Fröhlich polaron model, specifically to its regime of strong coupling. This model, which is rigorously introduced and discussed in the introduction, has been of great interest in condensed matter physics and field theory for more than eighty years. It is used to describe an electron interacting with the atoms of a solid material (the strength of this interaction is modeled by the presence of a coupling constant α in the Hamiltonian of the system). The particular regime examined here, which is mathematically described by considering the limit α →∞, displays many interesting features related to the emergence of classical behavior, which allows for a simplified effective description of the system under analysis. The properties, the range of validity and a quantitative analysis of the precision of such classical approximations are the main object of the present work. We specify our investigation to the study of the ground state energy of the system, its dynamics and its effective mass. For each of these problems, we provide in the introduction an overview of the previously known results and a detailed account of the original contributions by the author.},
  author       = {Feliciangeli, Dario},
  issn         = {2663-337X},
  pages        = {180},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{The polaron at strong coupling}},
  doi          = {10.15479/at:ista:9733},
  year         = {2021},
}

@article{9225,
  abstract     = {The Landau–Pekar equations describe the dynamics of a strongly coupled polaron.
Here, we provide a class of initial data for which the associated effective Hamiltonian
has a uniform spectral gap for all times. For such initial data, this allows us to extend the
results on the adiabatic theorem for the Landau–Pekar equations and their derivation
from the Fröhlich model obtained in previous works to larger times.},
  author       = {Feliciangeli, Dario and Rademacher, Simone Anna Elvira and Seiringer, Robert},
  issn         = {1573-0530},
  journal      = {Letters in Mathematical Physics},
  publisher    = {Springer Nature},
  title        = {{Persistence of the spectral gap for the Landau–Pekar equations}},
  doi          = {10.1007/s11005-020-01350-5},
  volume       = {111},
  year         = {2021},
}

@unpublished{9792,
  abstract     = {This paper establishes new connections between many-body quantum systems, One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport (OT), by interpreting the problem of computing the ground-state energy of a finite dimensional composite quantum system at positive temperature as a non-commutative entropy regularized Optimal Transport problem. We develop a new approach to fully characterize the dual-primal solutions in such non-commutative setting. The mathematical formalism is particularly relevant in quantum chemistry: numerical realizations of the many-electron ground state energy can be computed via a non-commutative version of Sinkhorn algorithm. Our approach allows to prove convergence and robustness of this algorithm, which, to our best knowledge, were unknown even in the two marginal case. Our methods are based on careful a priori estimates in the dual problem, which we believe to be of independent interest. Finally, the above results are extended in 1RDMFT setting, where bosonic or fermionic symmetry conditions are enforced on the problem.},
  author       = {Feliciangeli, Dario and Gerolin, Augusto and Portinale, Lorenzo},
  booktitle    = {arXiv},
  title        = {{A non-commutative entropic optimal transport approach to quantum composite systems at positive temperature}},
  doi          = {10.48550/arXiv.2106.11217},
  year         = {2021},
}

@unpublished{9787,
  abstract     = {We investigate the Fröhlich polaron model on a three-dimensional torus, and give a proof of the second-order quantum corrections to its ground-state energy in the strong-coupling limit. Compared to previous work in the confined case, the translational symmetry (and its breaking in the Pekar approximation) makes the analysis substantially more challenging.},
  author       = {Feliciangeli, Dario and Seiringer, Robert},
  booktitle    = {arXiv},
  title        = {{The strongly coupled polaron on the torus: Quantum corrections to the Pekar asymptotics}},
  doi          = {10.48550/arXiv.2101.12566},
  year         = {2021},
}

