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Distribution factors are indispensable tools in the design and analysis of power transmission grids. Recently, they received a renewed interest in the field of topology optimization, leading to the definition of bus merge and bus split distribution factors. In this article, we introduce a unified derivation of the most relevant distribution factors based on matrix algebraic manipulations. This approach facilitates the generalization to more complex grid modification, in particular simultaneous switching events or bus splits., Comment: 11 pages, 1 figure

Computational modelling of materials using machine learning, ML, and historical data has become integral to materials research. The efficiency of computational modelling is strongly affected by the choice of the numerical representation for describing the composition, structure and chemical elements. Structure controls the properties, but often only the composition of a candidate material is available. Existing elemental descriptors lack direct access to structural insights such as the coordination geometry of an element. In this study, we introduce Local Environment-induced Atomic Features, LEAFs, which incorporate information about the statistically preferred local coordination geometry for atoms in crystal structure into descriptors for chemical elements, enabling the modelling of materials solely as compositions without requiring knowledge of their crystal structure. In the crystal structure, each atomic site can be described by similarity to common local structural motifs; by aggregating these features of similarity from the experimentally verified crystal structures of inorganic materials, LEAFs formulate a set of descriptors for chemical elements and compositions. The direct connection of LEAFs to the local coordination geometry enables the analysis of ML model property predictions, linking compositions to the underlying structure-property relationships. We demonstrate the versatility of LEAFs in structure-informed property predictions for compositions, mapping of chemical space in structural terms, and prioritising elemental substitutions. Based on the latter for predicting crystal structures of binary ionic compounds, LEAFs achieve the state-of-the-art accuracy of 86 per cent. These results suggest that the structurally informed description of chemical elements and compositions developed in this work can effectively guide synthetic efforts in discovering new materials., Comment: 10 pages, 4 figures, supplementary information

Random projection, a dimensionality reduction technique, has been found useful in recent years for reducing the size of optimization problems. In this paper, we explore the use of sparse sub-gaussian random projections to approximate semidefinite programming (SDP) problems by reducing the size of matrix variables, thereby solving the original problem with much less computational effort. We provide some theoretical bounds on the quality of the projection in terms of feasibility and optimality that explicitly depend on the sparsity parameter of the projector. We investigate the performance of the approach for semidefinite relaxations appearing in polynomial optimization, with a focus on combinatorial optimization problems. In particular, we apply our method to the semidefinite relaxations of MAXCUT and MAX-2-SAT. We show that for large unweighted graphs, we can obtain a good bound by solving a projection of the semidefinite relaxation of MAXCUT. We also explore how to apply our method to find the stability number of four classes of imperfect graphs by solving a projection of the second level of the Lasserre Hierarchy. Overall, our computational experiments show that semidefinite programming problems appearing as relaxations of combinatorial optimization problems can be approximately solved using random projections as long as the number of constraints is not too large.

We propose DFAMiner, a passive learning tool for learning minimal separating deterministic finite automata (DFA) from a set of labelled samples. Separating automata are an interesting class of automata that occurs generally in regular model checking and has raised interest in foundational questions of parity game solving. We first propose a simple and linear-time algorithm that incrementally constructs a three-valued DFA (3DFA) from a set of labelled samples given in the usual lexicographical order. This 3DFA has accepting and rejecting states as well as don't-care states, so that it can exactly recognise the labelled examples. We then apply our tool to mining a minimal separating DFA for the labelled samples by minimising the constructed automata via a reduction to solving SAT problems. Empirical evaluation shows that our tool outperforms current state-of-the-art tools significantly on standard benchmarks for learning minimal separating DFAs from samples. Progress in the efficient construction of separating DFAs can also lead to finding the lower bound of parity game solving, where we show that DFAMiner can create optimal separating automata for simple languages with up to 7 colours. Future improvements might offer inroads to better data structures., Comment: 24 pages including appendices and references; version for LearnAut workshop

Climate risk assessments must account for a wide range of possible futures, so scientists often use simulations made by numerous global climate models to explore potential changes in regional climates and their impacts. Some of the latest-generation models have high effective climate sensitivities or EffCS. It has been argued these so-called hot models are unrealistic and should therefore be excluded from analyses of climate change impacts. Whether this would improve regional impact assessments, or make them worse, is unclear. Here we show there is no universal relationship between EffCS and projected changes in a number of important climatic drivers of regional impacts. Analysing heavy rainfall events, meteorological drought, and fire weather in different regions, we find little or no significant correlation with EffCS for most regions and climatic drivers. Even when a correlation is found, internal variability and processes unrelated to EffCS have similar effects on projected changes in the climatic drivers as EffCS. Model selection based solely on EffCS appears to be unjustified and may neglect realistic impacts, leading to an underestimation of climate risks., Comment: Preprint, 30 pages, 4 figures and 2 tables

While discounted payoff games and classic games that reduce to them, like parity and mean-payoff games, are symmetric, their solutions are not. We have taken a fresh view on the properties that optimal solutions need to have, and devised a novel way to converge to them, which is entirely symmetric. We achieve this by building a constraint system that uses every edge to define an inequation, and update the objective function by taking a single outgoing edge for each vertex into account. These edges loosely represent strategies of both players, where the objective function intuitively asks to make the inequation to these edges sharp. In fact, where they are not sharp, there is an `error' represented by the difference between the two sides of the inequation, which is 0 where the inequation is sharp. Hence, the objective is to minimise the sum of these errors. For co-optimal strategies, and only for them, it can be achieved that all selected inequations are sharp or, equivalently, that the sum of these errors is zero. While no co-optimal strategies have been found, we step-wise improve the error by improving the solution for a given objective function or by improving the objective function for a given solution. This also challenges the gospel that methods for solving payoff games are either based on strategy improvement or on value iteration., Comment: arXiv admin note: substantial text overlap with arXiv:2310.01008

The verification of liveness conditions is an important aspect of state-based rigorous methods. This article investigates this problem in a fragment $\square$LTL of the logic LTL(EB), the integration of the UNTIL-fragment of Pnueli's linear time temporal logic (LTL) and the logic of Event-B, in which the most commonly used liveness conditions can be expressed. For this fragment a sound set of derivation rules is developed, which is also complete under mild restrictions for Event-B machines., Comment: 22 pages

Abstract State Machines (ASMs) provide a model of computations on structures rather than strings. Blass, Gurevich and Shelah showed that deterministic PTIME-bounded ASMs define the choiceless fragment of PTIME, but cannot capture PTIME. In this article deterministic PSPACE-bounded ASMs are introduced, and it is proven that they cannot capture PSPACE. The key for the proof is a characterisation by partial fixed-point formulae over the St\"ark/Nanchen logic for deterministic ASMs and a construction of transitive structures, in which such formulae must hold. This construction exploits that the decisive support theorem for choiceless polynomial time holds under slightly weaker assumptions., Comment: 12 pages. arXiv admin note: substantial text overlap with arXiv:2005.04598

Regular decision processes (RDPs) are a subclass of non-Markovian decision processes where the transition and reward functions are guarded by some regular property of the past (a lookback). While RDPs enable intuitive and succinct representation of non-Markovian decision processes, their expressive power coincides with finite-state Markov decision processes (MDPs). We introduce omega-regular decision processes (ODPs) where the non-Markovian aspect of the transition and reward functions are extended to an omega-regular lookahead over the system evolution. Semantically, these lookaheads can be considered as promises made by the decision maker or the learning agent about her future behavior. In particular, we assume that, if the promised lookaheads are not met, then the payoff to the decision maker is $\bot$ (least desirable payoff), overriding any rewards collected by the decision maker. We enable optimization and learning for ODPs under the discounted-reward objective by reducing them to lexicographic optimization and learning over finite MDPs. We present experimental results demonstrating the effectiveness of the proposed reduction.

While discounted payoff games and classic games that reduce to them, like parity and mean-payoff games, are symmetric, their solutions are not. We have taken a fresh view on the constraints that optimal solutions need to satisfy, and devised a novel way to converge to them, which is entirely symmetric. It also challenges the gospel that methods for solving payoff games are either based on strategy improvement or on value iteration., Comment: In Proceedings GandALF 2023, arXiv:2309.17318

Reinforcement learning (RL) is a powerful approach for training agents to perform tasks, but designing an appropriate reward mechanism is critical to its success. However, in many cases, the complexity of the learning objectives goes beyond the capabilities of the Markovian assumption, necessitating a more sophisticated reward mechanism. Reward machines and omega-regular languages are two formalisms used to express non-Markovian rewards for quantitative and qualitative objectives, respectively. This paper introduces omega-regular reward machines, which integrate reward machines with omega-regular languages to enable an expressive and effective reward mechanism for RL. We present a model-free RL algorithm to compute epsilon-optimal strategies against omega-egular reward machines and evaluate the effectiveness of the proposed algorithm through experiments., Comment: To appear in ECAI-2023

Good-for-MDPs and good-for-games automata are two recent classes of nondeterministic automata that reside between general nondeterministic and deterministic automata. Deterministic automata are good-for-games, and good-for-games automata are good-for-MDPs, but not vice versa. One of the question this raises is how these classes relate in terms of succinctness. Good-for-games automata are known to be exponentially more succinct than deterministic automata, but the gap between good-for-MDPs and good-for-games automata as well as the gap between ordinary nondeterministic automata and those that are good-for-MDPs have been open. We establish that these gaps are exponential, and sharpen this result by showing that the latter gap remains exponential when restricting the nondeterministic automata to separating safety or unambiguous reachability automata., Comment: 18 pages

Families of DFAs (FDFAs) have recently been introduced as a new representation of $\omega$-regular languages. They target ultimately periodic words, with acceptors revolving around accepting some representation $u\cdot v^\omega$. Three canonical FDFAs have been suggested, called periodic, syntactic, and recurrent. We propose a fourth one, limit FDFAs, which can be exponentially coarser than periodic FDFAs and are more succinct than syntactic FDFAs, while they are incomparable (and dual to) recurrent FDFAs. We show that limit FDFAs can be easily used to check not only whether {\omega}-languages are regular, but also whether they are accepted by deterministic B\"uchi automata. We also show that canonical forms can be left behind in applications: the limit and recurrent FDFAs can complement each other nicely, and it may be a good way forward to use a combination of both. Using this observation as a starting point, we explore making more efficient use of Myhill-Nerode's right congruences in aggressively increasing the number of don't-care cases in order to obtain smaller progress automata. In pursuit of this goal, we gain succinctness, but pay a high price by losing constructiveness., Comment: 30 pages, accepted at ATVA 2023

We introduce a method for translating an alternating weak B\"uchi automaton (AWA), which corresponds to a Linear Dynamic Logic (LDL) formula, to an unambiguous B\"uchi automaton (UBA). Our translations generalise constructions for Linear Temporal Logic (LTL), a less expressive specification language than LDL. In classical constructions, LTL formulas are first translated to alternating \emph{very weak} automata (AVAs) -- automata that have only singleton strongly connected components (SCCs); the AVAs are then handled by efficient disambiguation procedures. However, general AWAs can have larger SCCs, which complicates disambiguation. Currently, the only available disambiguation procedure has to go through an intermediate construction of nondeterministic B\"uchi automata (NBAs), which would incur an exponential blow-up of its own. We introduce a translation from \emph{general} AWAs to UBAs with a \emph{singly} exponential blow-up, which also immediately provides a singly exponential translation from LDL to UBAs. Interestingly, the complexity of our translation is \emph{smaller} than the best known disambiguation algorithm for NBAs (broadly $(0.53n)^n$ vs. $(0.76n)^n$), while the input of our construction can be exponentially more succinct., Comment: 23 pages

We explore the notion of history-determinism in the context of timed automata (TA) over infinite timed words. History-deterministic (HD) automata are those in which nondeterminism can be resolved on the fly, based on the run constructed thus far. History-determinism is a robust property that admits different game-based characterisations, and HD specifications allow for game-based verification without an expensive determinization step. We show that the class of timed $\omega$-languages recognized by HD timed automata strictly extends that of deterministic ones, and is strictly included in those recognised by fully non-deterministic TA. For non-deterministic timed automata it is known that universality is already undecidable for safety/reachability TA. For history-deterministic TA with arbitrary parity acceptance, we show that timed universality, inclusion, and synthesis all remain decidable and are EXPTIME-complete. For the subclass of TA with safety or reachability acceptance, one can decide (in EXPTIME) whether such an automaton is history-deterministic. If so, it can effectively determinized without introducing new automaton states.

Cryogenic buffer gas beams are central to many cold molecule experiments. Here, we use absorption and fluorescence spectroscopy to directly compare molecular beams of AlF, CaF, MgF, and YbF molecules, produced by chemical reaction of laser ablated atoms with fluorine rich reagents. The beam brightness for AlF is measured as $2\times 10^{12}$ molecules per steradian per pulse in a single rotational state, comparable to an Al atomic beam produced in the same setup. The CaF, MgF and YbF beams show an order of magnitude lower brightness than AlF, and far below the brightness of Ca and Yb beams. The addition of either NF$_3$ or SF$_6$ to the cell extinguishes the Al atomic beam, but has a minimal effect on the Ca and Yb beams. NF$_3$ reacts more efficiently than SF$_6$, as a significantly lower flow rate is required to maximise the molecule production, which is particularly beneficial for long-term stability of the AlF beam. We use NO as a proxy for the reactant gas as it can be optically detected. We demonstrate that a cold, rotationally pure NO beam can be generated by laser desorption, thereby gaining insight into the dynamics of the reactant gas inside the buffer gas cell., Comment: 29 pages, 17 figures, 1 table

Birch reduction is a time-proven way to hydrogenate aromatic hydrocarbons (such as benzene), which relies on the reducing power of electrons released from alkali metals into liquid ammonia. We have succeeded to characterize the key intermediates of the Birch reduction process - the solvated electron and dielectron and the benzene radical anion - using cyclic voltammetry and photoelectron spectroscopy, aided by electronic structure calculations. In this way, we not only quantify the electron binding energies of these species, which are decisive for the mechanism of the reaction but also use Birch reduction as a case study to directly connect the two seemingly unrelated experimental techniques., Comment: after revision

While finite automata have minimal DFAs as a simple and natural normal form, deterministic omega-automata do not currently have anything similar. One reason for this is that a normal form for omega-regular languages has to speak about more than acceptance - for example, to have a normal form for a parity language, it should relate every infinite word to some natural color for this language. This raises the question of whether or not a concept such as a natural color of an infinite word (for a given language) exists, and, if it does, how it relates back to automata. We define the natural color of a word purely based on an omega-regular language, and show how this natural color can be traced back from any deterministic parity automaton after two cheap and simple automaton transformations. The resulting streamlined automaton does not necessarily accept every word with its natural color, but it has a 'co-run', which is like a run, but can once move to a language equivalent state, whose color is the natural color, and no co-run with a higher color exists. The streamlined automaton defines, for every color c, a good-for-games co-B\"uchi automaton that recognizes the words whose natural colors w.r.t. the represented language are at least c. This provides a canonical representation for every $\omega$-regular language, because good-for-games co-B\"uchi automata have a canonical minimal (and cheap to obtain) representation for every co-B\"uchi language.

Recursion is the fundamental paradigm to finitely describe potentially infinite objects. As state-of-the-art reinforcement learning (RL) algorithms cannot directly reason about recursion, they must rely on the practitioner's ingenuity in designing a suitable "flat" representation of the environment. The resulting manual feature constructions and approximations are cumbersome and error-prone; their lack of transparency hampers scalability. To overcome these challenges, we develop RL algorithms capable of computing optimal policies in environments described as a collection of Markov decision processes (MDPs) that can recursively invoke one another. Each constituent MDP is characterized by several entry and exit points that correspond to input and output values of these invocations. These recursive MDPs (or RMDPs) are expressively equivalent to probabilistic pushdown systems (with call-stack playing the role of the pushdown stack), and can model probabilistic programs with recursive procedural calls. We introduce Recursive Q-learning -- a model-free RL algorithm for RMDPs -- and prove that it converges for finite, single-exit and deterministic multi-exit RMDPs under mild assumptions.

When omega-regular objectives were first proposed in model-free reinforcement learning (RL) for controlling MDPs, deterministic Rabin automata were used in an attempt to provide a direct translation from their transitions to scalar values. While these translations failed, it has turned out that it is possible to repair them by using good-for-MDPs (GFM) B\"uchi automata instead. These are nondeterministic B\"uchi automata with a restricted type of nondeterminism, albeit not as restricted as in good-for-games automata. Indeed, deterministic Rabin automata have a pretty straightforward translation to such GFM automata, which is bi-linear in the number of states and pairs. Interestingly, the same cannot be said for deterministic Streett automata: a translation to nondeterministic Rabin or B\"uchi automata comes at an exponential cost, even without requiring the target automaton to be good-for-MDPs. Do we have to pay more than that to obtain a good-for-MDP automaton? The surprising answer is that we have to pay significantly less when we instead expand the good-for-MDP property to alternating automata: like the nondeterministic GFM automata obtained from deterministic Rabin automata, the alternating good-for-MDP automata we produce from deterministic Streett automata are bi-linear in the the size of the deterministic automaton and its index, and can therefore be exponentially more succinct than minimal nondeterministic B\"uchi automata.

Calude et al. have recently shown that parity games can be solved in quasi-polynomial time, a landmark result that has led to a number of approaches with quasi-polynomial complexity. Jurdinski and Lasic have further improved the precise complexity of parity games, especially when the number of priorities is low (logarithmic in the number of positions). Both of these algorithms belong to a class of game solving techniques now often called separating automata: deterministic automata that can be used as witness automata to decide the winner in parity games up to a given number of states and colours. We suggest a number of adjustments to the approach of Calude et al. that lead to smaller statespaces. These include and improve over those earlier introduced by Fearnley et al. We identify two of them that, together, lead to a statespace of exactly the same size Jurdzinski and Lasic's concise progress measures, which currently hold the crown as smallest statespace. The remaining improvements, hence, lead to a further reduction in the size of the statespace, making our approach the most succinct progress measures available for parity games.

Adversarial training has been shown to be one of the most effective approaches to improve the robustness of deep neural networks. It is formalized as a min-max optimization over model weights and adversarial perturbations, where the weights can be optimized through gradient descent methods like SGD. In this paper, we show that treating model weights as random variables allows for enhancing adversarial training through \textbf{S}econd-Order \textbf{S}tatistics \textbf{O}ptimization (S$^2$O) with respect to the weights. By relaxing a common (but unrealistic) assumption of previous PAC-Bayesian frameworks that all weights are statistically independent, we derive an improved PAC-Bayesian adversarial generalization bound, which suggests that optimizing second-order statistics of weights can effectively tighten the bound. In addition to this theoretical insight, we conduct an extensive set of experiments, which show that S$^2$O not only improves the robustness and generalization of the trained neural networks when used in isolation, but also integrates easily in state-of-the-art adversarial training techniques like TRADES, AWP, MART, and AVMixup, leading to a measurable improvement of these techniques. The code is available at \url{https://github.com/Alexkael/S2O}., Comment: Accepted by CVPR2022

Aluminum monofluoride (AlF) possesses highly favorable properties for laser cooling, both via the A$^1\Pi$ and a$^3\Pi$ states. Determining efficient pathways between the singlet and the triplet manifold of electronic states will be advantageous for future experiments at ultralow temperatures. The lowest rotational levels of the A$^1\Pi, v=6$ and b$^3\Sigma^+, v=5$ states of AlF are nearly iso-energetic and interact via spin-orbit coupling. These levels thus have a strongly mixed spin-character and provide a singlet-triplet doorway. We here present a hyperfine resolved spectroscopic study of the A$^1\Pi, v=6$ // b$^3\Sigma^+, v=5$ perturbed system in a jet-cooled, pulsed molecular beam. From a fit to the observed energies of the hyperfine levels, the fine and hyperfine structure parameters of the coupled states, their relative energies as well as the spin-orbit interaction parameter are determined. The standard deviation of the fit is about 15 MHz. We experimentally determine the radiative lifetimes of selected hyperfine levels by time-delayed ionization, Lamb dip spectroscopy and accurate measurements of the transition lineshapes. The measured lifetimes range between 2 ns and 200 ns, determined by the degree of singlet-triplet mixing for each level., Comment: 12 pages, 11 figures

Nondeterministic Good-for-MDP (GFM) automata are for MDP model checking and reinforcement learning what good-for-games automata are for reactive synthesis: a more compact alternative to deterministic automata that displays nondeterminism, but only so much that it can be resolved locally, such that a syntactic product can be analysed. GFM has recently been introduced as a property for reinforcement learning, where the simpler B\"uchi acceptance conditions it allows to use is key. However, while there are classic and novel techniques to obtain automata that are GFM, there has not been a decision procedure for checking whether or not an automaton is GFM. We show that GFM-ness is decidable and provide an EXPTIME decision procedure as well as a PSPACE-hardness proof., Comment: 26 pages, accepted to CONCUR 2023

While dropout is known to be a successful regularization technique, insights into the mechanisms that lead to this success are still lacking. We introduce the concept of \emph{weight expansion}, an increase in the signed volume of a parallelotope spanned by the column or row vectors of the weight covariance matrix, and show that weight expansion is an effective means of increasing the generalization in a PAC-Bayesian setting. We provide a theoretical argument that dropout leads to weight expansion and extensive empirical support for the correlation between dropout and weight expansion. To support our hypothesis that weight expansion can be regarded as an \emph{indicator} of the enhanced generalization capability endowed by dropout, and not just as a mere by-product, we have studied other methods that achieve weight expansion (resp.\ contraction), and found that they generally lead to an increased (resp.\ decreased) generalization ability. This suggests that dropout is an attractive regularizer, because it is a computationally cheap method for obtaining weight expansion. This insight justifies the role of dropout as a regularizer, while paving the way for identifying regularizers that promise improved generalization through weight expansion., Comment: TMLR

We present chemical kinetics measurements of the luminol oxydation chemiluminescence reaction at the interface between two aqueous solutions, using liquid jet technology. Free-flowing iquid microjets are a relatively recent development that has found its way into a growing number of applications in spectroscopy and dynamics. A variant thereof, called flat-jet, is obtained when two cylindrical jets of a liquid are crossed, leading to a chain of planar leaf-shaped structures of the flowing liquid. We here show that in the first leaf of this chain the fluids do not exhibit turbulent mixing, providing a clean interface between the liquids from the impinging jets. We also show, using the example of the luminol chemiluminescence reaction, how this setup can be used to obtain kinetics information from friction-less flow and by circumventing the requirement for rapid mixing but by intentionally suppressing all turbulent mixing and instead relying on diffusion.

The increasing use of Machine Learning (ML) components embedded in autonomous systems -- so-called Learning-Enabled Systems (LESs) -- has resulted in the pressing need to assure their functional safety. As for traditional functional safety, the emerging consensus within both, industry and academia, is to use assurance cases for this purpose. Typically assurance cases support claims of reliability in support of safety, and can be viewed as a structured way of organising arguments and evidence generated from safety analysis and reliability modelling activities. While such assurance activities are traditionally guided by consensus-based standards developed from vast engineering experience, LESs pose new challenges in safety-critical application due to the characteristics and design of ML models. In this article, we first present an overall assurance framework for LESs with an emphasis on quantitative aspects, e.g., breaking down system-level safety targets to component-level requirements and supporting claims stated in reliability metrics. We then introduce a novel model-agnostic Reliability Assessment Model (RAM) for ML classifiers that utilises the operational profile and robustness verification evidence. We discuss the model assumptions and the inherent challenges of assessing ML reliability uncovered by our RAM and propose solutions to practical use. Probabilistic safety argument templates at the lower ML component-level are also developed based on the RAM. Finally, to evaluate and demonstrate our methods, we not only conduct experiments on synthetic/benchmark datasets but also scope our methods with case studies on simulated Autonomous Underwater Vehicles and physical Unmanned Ground Vehicles., Comment: Preprint Accepted by ACM Transactions on Embedded Computing Systems

This work studies equilibrium problems under uncertainty where firms maximize their profits in a robust way when selling their output. Robust optimization plays an increasingly important role when best guaranteed objective values are to be determined, independently of the specific distributional assumptions regarding uncertainty. In particular, solutions are to be determined that are feasible regardless of how the uncertainty manifests itself within some predefined uncertainty set. Our mathematical analysis adopts the robust optimization perspective in the context of equilibrium problems. First, we present structural insights for a single-stage, nonadjustable robust setting. We then go one step further and study the more complex two-stage or adjustable case where a part of the variables can adjust to the realization of the uncertainty. We compare equilibrium outcomes with the corresponding centralized robust optimization problem where thesum of all profits are maximized. As we find, the market equilibrium for the perfectly competitive firms differs from the solution of the robust central planner, which is in stark contrast to classical results regarding the efficiency of market equilibria with perfectly competitive firms. For the different scenarios considered, we furthermore are able to determine the resulting price of anarchy. In the case of non-adjustable robustness, for fixed demand in every time step the price of anarchy is bounded whereas it is unbounded if the buyers are modeled by elastic demand functions. For the two-stage adjustable setting, we show how to compute subsidies for the firms that lead to robust welfareoptimal equilibria., Comment: 26 pages

Reinforcement learning synthesizes controllers without prior knowledge of the system. At each timestep, a reward is given. The controllers optimize the discounted sum of these rewards. Applying this class of algorithms requires designing a reward scheme, which is typically done manually. The designer must ensure that their intent is accurately captured. This may not be trivial, and is prone to error. An alternative to this manual programming, akin to programming directly in assembly, is to specify the objective in a formal language and have it "compiled" to a reward scheme. Mungojerrie (https://plv.colorado.edu/mungojerrie/) is a tool for testing reward schemes for $\omega$-regular objectives on finite models. The tool contains reinforcement learning algorithms and a probabilistic model checker. Mungojerrie supports models specified in PRISM and $\omega$-automata specified in HOA., Comment: Mungojerrie is available at https://plv.colorado.edu/mungojerrie/

We study reinforcement learning for the optimal control of Branching Markov Decision Processes (BMDPs), a natural extension of (multitype) Branching Markov Chains (BMCs). The state of a (discrete-time) BMCs is a collection of entities of various types that, while spawning other entities, generate a payoff. In comparison with BMCs, where the evolution of a each entity of the same type follows the same probabilistic pattern, BMDPs allow an external controller to pick from a range of options. This permits us to study the best/worst behaviour of the system. We generalise model-free reinforcement learning techniques to compute an optimal control strategy of an unknown BMDP in the limit. We present results of an implementation that demonstrate the practicality of the approach., Comment: to appear in CAV 2021

The utilisation of Deep Learning (DL) is advancing into increasingly more sophisticated applications. While it shows great potential to provide transformational capabilities, DL also raises new challenges regarding its reliability in critical functions. In this paper, we present a model-agnostic reliability assessment method for DL classifiers, based on evidence from robustness evaluation and the operational profile (OP) of a given application. We partition the input space into small cells and then "assemble" their robustness (to the ground truth) according to the OP, where estimators on the cells' robustness and OPs are provided. Reliability estimates in terms of the probability of misclassification per input (pmi) can be derived together with confidence levels. A prototype tool is demonstrated with simplified case studies. Model assumptions and extension to real-world applications are also discussed. While our model easily uncovers the inherent difficulties of assessing the DL dependability (e.g. lack of data with ground truth and scalability issues), we provide preliminary/compromised solutions to advance in this research direction., Comment: Accepted by the AISafety'21 Workshop at IJCAI-21. To appear in a volume of CEUR Workshop Proceedings

Zielonka's classic recursive algorithm for solving parity games is perhaps the simplest among the many existing parity game algorithms. However, its complexity is exponential, while currently the state-of-the-art algorithms have quasipolynomial complexity. Here, we present a modification of Zielonka's classic algorithm that brings its complexity down to $n^{O\left(\log\left(1+\frac{d}{\log n}\right)\right)}$, for parity games of size $n$ with $d$ priorities, in line with previous quasipolynomial-time solutions.

We develop an algorithm that combines the advantages of priority promotion - one of the leading approaches to solving large parity games in practice - with the quasi-polynomial time guarantees offered by Parys' algorithm. Hybridising these algorithms sounds both natural and difficult, as they both generalise the classic recursive algorithm in different ways that appear to be irreconcilable: while the promotion transcends the call structure, the guarantees change on each level. We show that an interface that respects both is not only effective, but also efficient.

The utilisation of Deep Learning (DL) raises new challenges regarding its dependability in critical applications. Sound verification and validation methods are needed to assure the safe and reliable use of DL. However, state-of-the-art debug testing methods on DL that aim at detecting adversarial examples (AEs) ignore the operational profile, which statistically depicts the software's future operational use. This may lead to very modest effectiveness on improving the software's delivered reliability, as the testing budget is likely to be wasted on detecting AEs that are unrealistic or encountered very rarely in real-life operation. In this paper, we first present the novel notion of "operational AEs" which are AEs that have relatively high chance to be seen in future operation. Then an initial design of a new DL testing method to efficiently detect "operational AEs" is provided, as well as some insights on our prospective research plan., Comment: Preprint accepted by the fast abstract track of DSN'21

Intensive research has been conducted on the verification and validation of deep neural networks (DNNs), aiming to understand if, and how, DNNs can be applied to safety critical applications. However, existing verification and validation techniques are limited by their scalability, over both the size of the DNN and the size of the dataset. In this paper, we propose a novel abstraction method which abstracts a DNN and a dataset into a Bayesian network (BN). We make use of dimensionality reduction techniques to identify hidden features that have been learned by hidden layers of the DNN, and associate each hidden feature with a node of the BN. On this BN, we can conduct probabilistic inference to understand the behaviours of the DNN processing data. More importantly, we can derive a runtime monitoring approach to detect in operational time rare inputs and covariate shift of the input data. We can also adapt existing structural coverage-guided testing techniques (i.e., based on low-level elements of the DNN such as neurons), in order to generate test cases that better exercise hidden features. We implement and evaluate the BN abstraction technique using our DeepConcolic tool available at https://github.com/TrustAI/DeepConcolic., Comment: 38 pages, 10 figures

The fully connected (FC) layer, one of the most fundamental modules in artificial neural networks (ANN), is often considered difficult and inefficient to train due to issues including the risk of overfitting caused by its large amount of parameters. Based on previous work studying ANN from linear spline perspectives, we propose a spline-based approach that eases the difficulty of training FC layers. Given some dataset, we first obtain a continuous piece-wise linear (CPWL) fit through spline methods such as multivariate adaptive regression spline (MARS). Next, we construct an ANN model from the linear spline model and continue to train the ANN model on the dataset using gradient descent optimization algorithms. Our experimental results and theoretical analysis show that our approach reduces the computational cost, accelerates the convergence of FC layers, and significantly increases the interpretability of the resulting model (FC layers) compared with standard ANN training with random parameter initialization followed by gradient descent optimizations.

We study stochastic games with energy-parity objectives, which combine quantitative rewards with a qualitative $\omega$-regular condition: The maximizer aims to avoid running out of energy while simultaneously satisfying a parity condition. We show that the corresponding almost-sure problem, i.e., checking whether there exists a maximizer strategy that achieves the energy-parity objective with probability $1$ when starting at a given energy level $k$, is decidable and in $NP \cap coNP$. The same holds for checking if such a $k$ exists and if a given $k$ is minimal.

We apply Boolean Satisfiability (SAT) and Satisfiability Modulo Theories (SMT) solvers in the context of finding chiral heterotic string models with positive cosmological constant from $\mathbb{Z}_2\times \mathbb{Z}_2$ orbifolds. The power of using SAT/SMT solvers to sift large parameter spaces quickly to decide satisfiability, both to declare and prove unsatisfiability and to declare satisfiability, are demonstrated in this setting. These models are partly chosen to be small enough to plot the performance against exhaustive search, which takes around 2 hours 20 minutes to comb through the parameter space. We show that making use of SMT based techniques with integer encoding is rather simple and effective, while a more careful Boolean SAT encoding provides a significant speed-up -- determining satisfiability or unsatisfiability has, in our experiments varied between 0.03 and 0.06 seconds, while determining all models (where models exist) took 19 seconds for a constraint system that allows for 2048 models and 8.4 seconds for a constraint system that admits 640 models. We thus gain several orders of magnitude in speed, and this advantage is set to grow with a growing parameter space. This holds the promise that the method scales well beyond the initial problem we have used it for in this paper., Comment: 16 pages, 2 Figures

This paper studies the novel concept of weight correlation in deep neural networks and discusses its impact on the networks' generalisation ability. For fully-connected layers, the weight correlation is defined as the average cosine similarity between weight vectors of neurons, and for convolutional layers, the weight correlation is defined as the cosine similarity between filter matrices. Theoretically, we show that, weight correlation can, and should, be incorporated into the PAC Bayesian framework for the generalisation of neural networks, and the resulting generalisation bound is monotonic with respect to the weight correlation. We formulate a new complexity measure, which lifts the PAC Bayes measure with weight correlation, and experimentally confirm that it is able to rank the generalisation errors of a set of networks more precisely than existing measures. More importantly, we develop a new regulariser for training, and provide extensive experiments that show that the generalisation error can be greatly reduced with our novel approach., Comment: Accpeted by NeurIPS 2020 conference

Complexity theory can be viewed as the study of the relationship between computation and applications, understood the former as complexity classes and the latter as problems. Completeness results are clearly central to that view. Many natural algorithms resulting from current applications have polylogarithmic time (PolylogTime) or space complexity (PolylogSpace). The classical Karp notion of complete problem however does not plays well with these complexity classes. It is well known that PolylogSpace does not have complete problems under logarithmic space many-one reductions. In this paper we show similar results for deterministic and non-deterministic PolylogTime as well as for every other level of the polylogarithmic time hierarchy. We achieve that by following a different strategy based on proving the existence of proper hierarchies of problems inside each class. We then develop an alternative notion of completeness inspired by the concept of uniformity from circuit complexity and prove the existence of a (uniformly) complete problem for PolylogSpace under this new notion. As a consequence of this result we get that complete problems can still play an important role in the study of the interrelationship between polylogarithmic and other classical complexity classes., Comment: Submitted to Annals of Mathematics and Artificial Intelligence. arXiv admin note: text overlap with arXiv:1911.13104

Choreographies prescribe the rendez-vous synchronisation of messages in a system of communicating finite state machines. Such a system is called realisable, if the traces of the prescribed communication coincide with those of the asynchronous system of peers, where the communication channels either use FIFO queues or multiset mailboxes. In a recent article realisability was characterised by two necessary conditions that together are sufficient. A simple consequence is that realisability in the presence of a choreography becomes decidable. In this article we extend this work by generalising choreographies to control-state choreographies, which enable parallelism. We redefine P2P systems on grounds of control-state machines and show that a control-state choreography is equivalent to the rendez-vous compositions of its peers and that language-synchronisability coincides with synchronisability. These results are used to characterise realisability of control-state choreographies. As for the case of FSM-based choreographies we prove two necessary conditions: a sequence condition and a choice condition. Then we also show that these two conditions together are sufficient for the realisability of control-state choreographies., Comment: 32 pages, 6 figures, 28 references

Recently, we determined the detailed energy level structure of the $X^1\Sigma^+$, $A^1\Pi$ and $a^3\Pi$ states of AlF that are relevant to laser cooling and trapping experiments. Here, we investigate the $b^3\Sigma^+, v=0$ state of the AlF molecule. A rotationally-resolved (1+2)-REMPI spectrum of the $b^3\Sigma^+, v'=0 \leftarrow a^3\Pi, v''=0$ band is presented and the lifetime of the $b^3\Sigma^+, v=0$ state is measured to be 190(2)~ns. Hyperfine-resolved, laser-induced fluorescence spectra of the $b^3\Sigma^+, v'=0 \leftarrow X^1\Sigma^+, v''=1$ and the $b^3\Sigma^+, v'=0 \leftarrow a^3\Pi, v''=0$ bands are recorded to determine fine- and hyperfine structure parameters. The interaction between the $b^3\Sigma^+, v=0$ and the nearby $A^1\Pi$ state is studied and the magnitude of the spin-orbit coupling between the two electronic states is derived using three independent methods to give a consistent value of 10(1)~cm$^{-1}$. The triplet character of the $A$ state causes an $A\rightarrow a$ loss from the main $A-X$ laser cooling cycle below the 10$^{-6}$ level., Comment: 22 pages, 8 figures

In the late 1980s Gurevich conjectured that there is no logic capturing PTIME, where logic has to be understood in a very general way comprising computation models over structures. In this article we first refute Gurevich's conjecture. For this we extend the seminal research of Blass, Gurevich and Shelah on {\em choiceless polynomial time} (CPT), which exploits deterministic Abstract State Machines (ASMs) supporting unbounded parallelism to capture the choiceless fragment of PTIME. CPT is strictly included in PTIME. We observe that choice is unavoidable, but that a restricted version suffices, which guarantees that the final result is independent from the choice. Such a version of polynomially bounded ASMs, which we call {\em insignificant choice polynomial time} (ICPT) will indeed capture PTIME. Even more, insignificant choice can be captured by ASMs with choice restricted to atoms such that a {\em local insignificance condition} is satisfied. As this condition can be expressed in the logic of non-deterministic ASMs, we obtain a logic capturing PTIME. Furthermore, using inflationary fixed-points we can capture problems in PTIME by fixed-point formulae in a fragment of the logic of non-deterministic ASMs plus inflationary fixed-points. We use this result for our second contribution showing that PTIME differs from NP. For the proof we build again on the research on CPT first establishing a limitation on permutation classes of the sets that can be activated by an ICPT computation. We then prove an inseparability theorem, which characterises classes of structures that cannot be separated by the logic. In particular, this implies that SAT cannot be decided by an ICPT computation., Comment: 69 pages

This paper discusses the hardness of finding minimal good-for-games (GFG) Buchi, Co-Buchi, and parity automata with state based acceptance. The problem appears to sit between finding small deterministic and finding small nondeterministic automata, where minimality is NP-complete and PSPACE-complete, respectively. However, recent work of Radi and Kupferman has shown that minimising Co-Buchi automata with transition based acceptance is tractable, which suggests that the complexity of minimising GFG automata might be cheaper than minimising deterministic automata. We show for the standard state based acceptance that the minimality of a GFG automaton is NP-complete for Buchi, Co-Buchi, and parity GFG automata. The proofs are a surprisingly straight forward generalisation of the proofs from deterministic Buchi automata: they use a similar reductions, and the same hard class of languages.

Recently, successful approaches have been made to exploit good-for-MDPs automata (B\"uchi automata with a restricted form of nondeterminism) for model free reinforcement learning, a class of automata that subsumes good for games automata and the most widespread class of limit deterministic automata. The foundation of using these B\"uchi automata is that the B\"uchi condition can, for good-for-MDP automata, be translated to reachability. The drawback of this translation is that the rewards are, on average, reaped very late, which requires long episodes during the learning process. We devise a new reward shaping approach that overcomes this issue. We show that the resulting model is equivalent to a discounted payoff objective with a biased discount that simplifies and improves on prior work in this direction.

We develop a behavioural theory of reflective sequential algorithms (RSAs), i.e. sequential algorithms that can modify their own behaviour. The theory comprises a set of language-independent postulates defining the class of RSAs, an abstract machine model, and the proof that all RSAs are captured by this machine model. As in Gurevich's behavioural theory for sequential algorithms RSAs are sequential-time, bounded parallel algorithms, where the bound depends on the algorithm only and not on the input. Different from the class of sequential algorithms every state of an RSA includes a representation of the algorithm in that state, thus enabling linguistic reflection. Bounded exploration is preserved using terms as values. The model of reflective sequential abstract state machines (rsASMs) extends sequential ASMs using extended states that include an updatable representation of the main ASM rule to be executed by the machine in that state. Updates to the representation of ASM signatures and rules are realised by means of a sophisticated tree algebra., Comment: 32 pages

"What is an algorithm?" is a fundamental question of computer science. Gurevich's behavioural theory of sequential algorithms (aka the sequential ASM thesis) gives a partial answer by defining (non-deterministic) sequential algorithms axiomatically, without referring to a particular machine model or programming language, and showing that they are captured by (non-deterministic) sequential Abstract State Machines (nd-seq ASMs). Moschovakis pointed out that recursive algorithms such as mergesort are not covered by this theory. In this article we propose an axiomatic definition of the notion of sequential recursive algorithm which extends Gurevich's axioms for sequential algorithms by a Recursion Postulate and allows us to prove that sequential recursive algorithms are captured by recursive Abstract State Machines, an extension of nd-seq ASMs by a CALL rule. Applying this recursive ASM thesis yields a characterization of sequential recursive algorithms as finitely composed concurrent algorithms all of whose concurrent runs are partial-order runs., Comment: 34 pages

We introduce a restricted second-order logic $\mathrm{SO}^{\mathit{plog}}$ for finite structures where second-order quantification ranges over relations of size at most poly-logarithmic in the size of the structure. We demonstrate the relevance of this logic and complexity class by several problems in database theory. We then prove a Fagin's style theorem showing that the Boolean queries which can be expressed in the existential fragment of $\mathrm{SO}^{\mathit{plog}}$ corresponds exactly to the class of decision problems that can be computed by a non-deterministic Turing machine with random access to the input in time $O((\log n)^k)$ for some $k \ge 0$, i.e., to the class of problems computable in non-deterministic poly-logarithmic time. It should be noted that unlike Fagin's theorem which proves that the existential fragment of second-order logic captures NP over arbitrary finite structures, our result only holds over ordered finite structures, since $\mathrm{SO}^{\mathit{plog}}$ is too weak as to define a total order of the domain. Nevertheless $\mathrm{SO}^{\mathit{plog}}$ provides natural levels of expressibility within poly-logarithmic space in a way which is closely related to how second-order logic provides natural levels of expressibility within polynomial space. Indeed, we show an exact correspondence between the quantifier prefix classes of $\mathrm{SO}^{\mathit{plog}}$ and the levels of the non-deterministic poly-logarithmic time hierarchy, analogous to the correspondence between the quantifier prefix classes of second-order logic and the polynomial-time hierarchy. Our work closely relates to the constant depth quasipolynomial size AND/OR circuits and corresponding restricted second-order logic defined by David A. Mix Barrington in 1992. We explore this relationship in detail., Comment: Draft of Paper submitted to the Logic Journal of the IGPL. arXiv admin note: substantial text overlap with arXiv:1806.07127

The polylogarithmic time hierarchy structures sub-linear time complexity. In recent work it was shown that all classes $\tilde{\Sigma}_{m}^{\mathit{plog}}$ or $\tilde{\Pi}_{m}^{\mathit{plog}}$ ($m \in \mathbb{N}$) in this hierarchy can be captured by semantically restricted fragments of second-order logic. In this paper the descriptive complexity theory of polylogarithmic time is taken further showing that there are strict hierarchies inside each of the classes of the hierarchy. A straightforward consequence of this result is that there are no complete problems for these complexity classes, not even under polynomial time reductions. As another consequence we show that the polylogarithmic time hierarchy itself is strict., Comment: Paper submitted to FoIKS 2020

We characterize the class of nondeterministic ${\omega}$-automata that can be used for the analysis of finite Markov decision processes (MDPs). We call these automata `good-for-MDPs' (GFM). We show that GFM automata are closed under classic simulation as well as under more powerful simulation relations that leverage properties of optimal control strategies for MDPs. This closure enables us to exploit state-space reduction techniques, such as those based on direct and delayed simulation, that guarantee simulation equivalence. We demonstrate the promise of GFM automata by defining a new class of automata with favorable properties - they are B\"uchi automata with low branching degree obtained through a simple construction - and show that going beyond limit-deterministic automata may significantly benefit reinforcement learning.