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Irradiation of materials in nuclear test reactors and power plants is known to alter the properties of the material. The irradiation event happening at pico- or nanosecond time scales are affecting the evolution and properties of the material on macroscopic timescales. Classical Molecular Dynamics simulations, which can capture the cascade event, are typically limited to nanosecond time scales, resulting in high dose rates. To achieve experimental dose rates, larger-scale models like Object Kinetic Monte Carlo are used, while they lack atomistic detail. The exact evolution of cascades in the vicinity of pre-existing defects is known to affect the defects formed, and the structure and morphology of the defects produced are crucial to know for determining macroscopic material behavior. Here we introduce a novel approach to integrate full Molecular Dynamics-based cascades into Object Kinetic Monte Carlo to achieve accurate dose rates, with the atomistic level accuracy of cascade overlap in tungsten. Our study reveals that incorporating full cascades significantly influences defect concentration levels. Not only is the concentration affected, but also the cluster statistics. We observe both that the full cascade can promote vacancy clustering at low temperatures and it can split existing voids at higher temperatures. These effects are missing in conventional Object Kinetic Monte Carlo simulations. This can be especially important in more complex materials, where many cascade-overlap effects are present.

We introduce eRHL, a program logic for reasoning about relational expectation properties of pairs of probabilistic programs. eRHL is quantitative, i.e., its pre- and post-conditions take values in the extended non-negative reals. Thanks to its quantitative assertions, eRHL overcomes randomness alignment restrictions from prior logics, including PRHL, a popular relational program logic used to reason about security of cryptographic constructions, and apRHL, a variant of PRHL for differential privacy. As a result, eRHL is the first relational probabilistic program logic to be supported by non-trivial soundness and completeness results for all almost surely terminating programs. We show that eRHL is sound and complete with respect to program equivalence, statistical distance, and differential privacy. We also show that every PRHL judgment is valid iff it is provable in eRHL. We showcase the practical benefits of eRHL with examples that are beyond reach of PRHL and apRHL.

We introduce a framework for simulating, on an $(n+1)$-qubit quantum computer, the action of a Gaussian Bosonic (GB) circuit on a state over $2^n$ modes. Specifically, we encode the initial bosonic state's expectation values over quadrature operators (and their covariance matrix) as an input qubit-state. This is then evolved by a quantum circuit that effectively implements the symplectic propagators induced by the GB gates. We find families of GB circuits and initial states leading to efficient quantum simulations. For this purpose, we introduce a dictionary that maps between GB and qubit gates such that particle- (non-particle-) preserving GB gates lead to real (imaginary) time evolutions at the qubit level. For the special case of particle-preserving circuits, we present a BQP-complete GB decision problem, indicating that GB evolutions of Gaussian states on exponentially many modes are as powerful as universal quantum computers. We also perform numerical simulations of an interferometer on $\sim8$ billion modes, illustrating the power of our framework., Comment: 5+14 pages, 3 figures, 1 table

Parameterized quantum circuits have been extensively used as the basis for machine learning models in regression, classification, and generative tasks. For supervised learning, their expressivity has been thoroughly investigated and several universality properties have been proven. However, in the case of quantum generative modelling, much less is known, especially when the task is to model distributions over continuous variables. In this work, we elucidate expectation value sampling-based models. Such models output the expectation values of a set of fixed observables from a quantum circuit into which classical random data has been uploaded. We prove the universality of such variational quantum algorithms for the generation of multivariate distributions. We explore various architectures which allow universality and prove tight bounds connecting the minimal required qubit number, and the minimal required number of measurements needed. Our results may help guide the design of future quantum circuits in generative modelling tasks.

How will future microarchitectures impact the security of existing cryptographic implementations? As we cannot keep reducing the size of transistors, chip vendors have started developing new microarchitectural optimizations to speed up computation. A recent study (Sanchez Vicarte et al., ISCA 2021) suggests that these optimizations might open the Pandora's box of microarchitectural attacks. However, there is little guidance on how to evaluate the security impact of future optimization proposals. To help chip vendors explore the impact of microarchitectural optimizations on cryptographic implementations, we develop (i) an expressive domain-specific language, called LmSpec, that allows them to specify the leakage model for the given optimization and (ii) a testing framework, called LmTest, to automatically detect leaks under the specified leakage model within the given implementation. Using this framework, we conduct an empirical study of 18 proposed microarchitectural optimizations on 25 implementations of eight cryptographic primitives in five popular libraries. We find that every implementation would contain secret-dependent leaks, sometimes sufficient to recover a victim's secret key, if these optimizations were realized. Ironically, some leaks are possible only because of coding idioms used to prevent leaks under the standard constant-time model.

Recent advances in Neural Fields mostly rely on developing task-specific supervision which often complicates the models. Rather than developing hard-to-combine and specific modules, another approach generally overlooked is to directly inject generic priors on the scene representation (also called inductive biases) into the NeRF architecture. Based on this idea, we propose the RING-NeRF architecture which includes two inductive biases : a continuous multi-scale representation of the scene and an invariance of the decoder's latent space over spatial and scale domains. We also design a single reconstruction process that takes advantage of those inductive biases and experimentally demonstrates on-par performances in terms of quality with dedicated architecture on multiple tasks (anti-aliasing, few view reconstruction, SDF reconstruction without scene-specific initialization) while being more efficient. Moreover, RING-NeRF has the distinctive ability to dynamically increase the resolution of the model, opening the way to adaptive reconstruction., Comment: This publication has been accepted at ECCV'24

Quantum re-uploading models have been extensively investigated as a form of machine learning within the context of variational quantum algorithms. Their trainability and expressivity are not yet fully understood and are critical to their performance. In this work, we address trainability through the lens of the magnitude of the gradients of the cost function. We prove bounds for the differences between gradients of the better-studied data-less parameterized quantum circuits and re-uploading models. We coin the concept of {\sl absorption witness} to quantify such difference. For the expressivity, we prove that quantum re-uploading models output functions with vanishing high-frequency components and upper-bounded derivatives with respect to data. As a consequence, such functions present limited sensitivity to fine details, which protects against overfitting. We performed numerical experiments extending the theoretical results to more relaxed and realistic conditions. Overall, future designs of quantum re-uploading models will benefit from the strengthened knowledge delivered by the uncovering of absorption witnesses and vanishing high frequencies.

In recent years there has been a growing demand from financial agents, especially from particular and institutional investors, for companies to report on climate-related financial risks. A vast amount of information, in text format, can be expected to be disclosed in the short term by firms in order to identify these types of risks in their financial and non financial reports, particularly in response to the growing regulation that is being passed on the matter. To this end, this paper applies state-of-the-art NLP techniques to achieve the detection of climate change in text corpora. We use transfer learning to fine-tune two transformer models, BERT and ClimateBert -a recently published DistillRoBERTa-based model that has been specifically tailored for climate text classification-. These two algorithms are based on the transformer architecture which enables learning the contextual relationships between words in a text. We carry out the fine-tuning process of both models on the novel Clima-Text database, consisting of data collected from Wikipedia, 10K Files Reports and web-based claims. Our text classification model obtained from the ClimateBert fine-tuning process on ClimaText, outperforms the models created with BERT and the current state-of-the-art transformer in this particular problem. Our study is the first one to implement on the ClimaText database the recently published ClimateBert algorithm. Based on our results, it can be said that ClimateBert fine-tuned on ClimaText is an outstanding tool within the NLP pre-trained transformer models that may and should be used by investors, institutional agents and companies themselves to monitor the disclosure of climate risk in financial reports. In addition, our transfer learning methodology is cheap in computational terms, thus allowing any organization to perform it.

Understanding the evolution of a multi-qubit quantum system, or elucidating what portion of the Hilbert space is occupied by a quantum dataset becomes increasingly hard with the number of qubits. In this context, the visualisation of sets of multi-qubit pure quantum states on a single image can be helpful. However, the current approaches to visualization of this type only allow the representation of a set of single qubits (not allowing multi-qubit systems) or a just a single multi-qubit system (not suitable if we care about sets of states), sometimes with additional restrictions, on symmetry or entanglement for example. [1{3]. In this work we present a mapping that can uniquely represent a set of arbitrary multi-qubit pure states on what we call a Binary Tree of Bloch Spheres. The backbone of this technique is the combination of the Schmidt decomposition and the Bloch sphere representation. We illustrate how this can be used in the context of understanding the time evolution of quantum states, e.g. providing immediate insights into the periodicity of the system and even entanglement properties. We also provide a recursive algorithm which translates from the computational basis state representation to the binary tree of Bloch spheres representation. The algorithm was implemented together with a visualization library in Python released as open source.

While recent innovations on shape technologies allow for the creation of displays with almost unlimited form factors, current graphical user interfaces still rely on rectangular layouts and contents. This rectangular legacy hinders the progress of freeform displays, which are particularly relevant for pervasive scenarios to display interactive dynamic content where and when needed. By challenging the prevailing layout tradition on rectangular displays, freeform user interfaces raise design challenges which call for exploring the interlink between computational approaches and user interface generation and adaptation. In this position paper we report on previous work on content optimization for freeform user interfaces and anticipate the upcoming challenges and opportunities.

CoqQ is a framework for reasoning about quantum programs in the Coq proof assistant. Its main components are: a deeply embedded quantum programming language, in which classic quantum algorithms are easily expressed, and an expressive program logic for proving properties of programs. CoqQ is foundational: the program logic is formally proved sound with respect to a denotational semantics based on state-of-art mathematical libraries (mathcomp and mathcomp analysis). CoqQ is also practical: assertions can use Dirac expressions, which eases concise specifications, and proofs can exploit local and parallel reasoning, which minimizes verification effort. We illustrate the applicability of CoqQ with many examples from the literature.

We study the nature of applicative bisimilarity in $\lambda$-calculi endowed with operators for sampling from continuous distributions. On the one hand, we show that bisimilarity, logical equivalence, and testing equivalence all coincide with contextual equivalence when real numbers can be manipulated only through continuous functions. The key ingredient towards this result is a novel notion of Feller-continuity for labelled Markov processes, which we believe of independent interest, being a broad class of LMPs for which coinductive and logically inspired equivalences coincide. On the other hand, we show that if no constraint is put on the way real numbers are manipulated, characterizing contextual equivalence turns out to be hard, and most of the aforementioned notions of equivalence are even unsound.

A positive correlation inequality is established for circular-invariant plurisubharmonic functions, with respect to complex Gaussian measures. The main ingredients of the proofs are the Ornstein-Uhlenbeck semigroup, and another natural semigroup associated to the Gaussian $\partial$-Laplacian.

We begin a systematic study of the region of possible values of the volumes of Minkowski subset sums of a collection of $M$ compact sets in $\mathbb{R}^d$, which we call the Lyusternik region, and make some first steps towards describing it. Our main result is that a fractional generalization of the Brunn-Minkowski-Lyusternik inequality conjectured by Bobkov et al. (2011) holds in dimension 1. Even though Fradelizi et al. (2016) showed that it fails in general dimension, we show that a variant does hold in any dimension.

Data augmentation is an important component in the robustness evaluation of models in natural language processing (NLP) and in enhancing the diversity of the data they are trained on. In this paper, we present NL-Augmenter, a new participatory Python-based natural language augmentation framework which supports the creation of both transformations (modifications to the data) and filters (data splits according to specific features). We describe the framework and an initial set of 117 transformations and 23 filters for a variety of natural language tasks. We demonstrate the efficacy of NL-Augmenter by using several of its transformations to analyze the robustness of popular natural language models. The infrastructure, datacards and robustness analysis results are available publicly on the NL-Augmenter repository (https://github.com/GEM-benchmark/NL-Augmenter)., Comment: 39 pages, repository at https://github.com/GEM-benchmark/NL-Augmenter

Context. Spacecraft observations early revealed frequent multiple proton populations in the solar wind. Decades of research on their origin have focused on processes such as magnetic reconnection in the low corona and wave-particle interactions in the corona and locally in the solar wind.Aims.This study aims to highlight that multiple proton populations and beams are also produced by magnetic reconnection occurring locally in the solar wind. Methods. We use high resolution Solar Orbiter proton velocity distribution function measurements, complemented by electron and magnetic field data, to analyze the association of multiple proton populations and beams with magnetic reconnection during a period of slow Alfv\'enic solar wind on 16 July 2020. Results. At least 6 reconnecting current sheets with associated multiple proton populations and beams, including a case of magnetic reconnection at a switchback boundary, are found during this day. This represents 2% of the measured distribution functions. We discuss how this proportion may be underestimated, and how it may depend on solar wind type and distance from the Sun. Conclusions. Although suggesting a likely small contribution, but which remains to be quantitatively assessed, Solar Orbiter observations show that magnetic reconnection must be considered as one of the mechanisms that produce multiple proton populations and beams locally in the solar wind.

Adversarial computations are a widely studied class of computations where resource-bounded probabilistic adversaries have access to oracles, i.e., probabilistic procedures with private state. These computations arise routinely in several domains, including security, privacy and machine learning. In this paper, we develop program logics for reasoning about adversarial computations in a higher-order setting. Our logics are built on top of a simply typed $\lambda$-calculus extended with a graded monad for probabilities and state. The grading is used to model and restrict the memory footprint and the cost (in terms of oracle calls) of computations. Under this view, an adversary is a higher-order expression that expects as arguments the code of its oracles. We develop unary program logics for reasoning about error probabilities and expected values, and a relational logic for reasoning about coupling-based properties. All logics feature rules for adversarial computations, and yield guarantees that are valid for all adversaries that satisfy a fixed resource policy. We prove the soundness of the logics in the category of quasi-Borel spaces, using a general notion of graded predicate liftings, and we use logical relations over graded predicate liftings to establish the soundness of proof rules for adversaries. We illustrate the working of our logics with simple but illustrative examples., Comment: Full version of ICFP 21 paper

We prove asymptotic estimates for the volume of families of Orlicz balls in high dimensions. As an application, we describe a large family of Orlicz balls which verify a famous conjecture of Kannan, Lov{\'a}sz and Simonovits about spectral gaps. We also study the asymptotic independence of coordinates on uniform random vectors on Orlicz balls, as well as integrability properties of their linear functionals.

Spectre vulnerabilities violate our fundamental assumptions about architectural abstractions, allowing attackers to steal sensitive data despite previously state-of-the-art countermeasures. To defend against Spectre, developers of verification tools and compiler-based mitigations are forced to reason about microarchitectural details such as speculative execution. In order to aid developers with these attacks in a principled way, the research community has sought formal foundations for speculative execution upon which to rebuild provable security guarantees. This paper systematizes the community's current knowledge about software verification and mitigation for Spectre. We study state-of-the-art software defenses, both with and without associated formal models, and use a cohesive framework to compare the security properties each defense provides. We explore a wide variety of tradeoffs in the expressiveness of formal frameworks, the complexity of defense tools, and the resulting security guarantees. As a result of our analysis, we suggest practical choices for developers of analysis and mitigation tools, and we identify several open problems in this area to guide future work on grounded software defenses., Comment: To appear at Oakland '22

We propose a model of the substructural logic of Bunched Implications (BI) that is suitable for reasoning about quantum states. In our model, the separating conjunction of BI describes separable quantum states. We develop a program logic where pre- and post-conditions are BI formulas describing quantum states -- the program logic can be seen as a counterpart of separation logic for imperative quantum programs. We exercise the logic for proving the security of quantum one-time pad and secret sharing, and we show how the program logic can be used to discover a flaw in Google Cirq's tutorial on the Variational Quantum Algorithm (VQA)., Comment: 52 pages

Epidemics like the recent COVID-19 require proactive contact tracing and epidemiological analysis to predict and subsequently contain infection transmissions. The proactive measures require large scale data collection, which simultaneously raise concerns regarding users' privacy. Digital contact tracing systems developed in response to COVID-19 either collected extensive data for effective analytics at the cost of users' privacy or collected minimal data for the sake of user privacy but were ineffective in predicting and mitigating the epidemic risks. We present Silmarillion--in preparation for future epidemics--a system that reconciles user's privacy with rich data collection for higher utility. In Silmarillion, user devices record Bluetooth encounters with beacons installed in strategic locations. The beacons further enrich the encounters with geo-location, location type, and environment conditions at the beacon installation site. This enriched information enables detailed scientific analysis of disease parameters as well as more accurate personalized exposure risk notification. At the same time, Silmarillion provides privacy to all participants and non-participants at the same level as that guaranteed in digital and manual contact tracing. We describe the design of Silmarillion and its communication protocols that ensure user privacy and data security. We also evaluate a prototype of Silmarillion built using low-end IoT boards, showing that the power consumption and user latencies are adequately low for a practical deployment. Finally, we briefly report on a small-scale deployment within a university building as a proof-of-concept.

Differential privacy is a mathematical framework for developing statistical computations with provable guarantees of privacy and accuracy. In contrast to the privacy component of differential privacy, which has a clear mathematical and intuitive meaning, the accuracy component of differential privacy does not have a generally accepted definition; accuracy claims of differential privacy algorithms vary from algorithm to algorithm and are not instantiations of a general definition. We identify program discontinuity as a common theme in existing \emph{ad hoc} definitions and introduce an alternative notion of accuracy parametrized by, what we call, {\distance} -- the {\distance} of an input $x$ w.r.t., a deterministic computation $f$ and a distance $d$, is the minimal distance $d(x,y)$ over all $y$ such that $f(y)\neq f(x)$. We show that our notion of accuracy subsumes the definition used in theoretical computer science, and captures known accuracy claims for differential privacy algorithms. In fact, our general notion of accuracy helps us prove better claims in some cases. Next, we study the decidability of accuracy. We first show that accuracy is in general undecidable. Then, we define a non-trivial class of probabilistic computations for which accuracy is decidable (unconditionally, or assuming Schanuel's conjecture). We implement our decision procedure and experimentally evaluate the effectiveness of our approach for generating proofs or counterexamples of accuracy for common algorithms from the literature.

In recent years, Convolutional Neural Networks (CNN) have proven to be efficient analysis tools for processing point clouds, e.g., for reconstruction, segmentation and classification. In this paper, we focus on the classification of edges in point clouds, where both edges and their surrounding are described. We propose a new parameterization adding to each point a set of differential information on its surrounding shape reconstructed at different scales. These parameters, stored in a Scale-Space Matrix (SSM), provide a well suited information from which an adequate neural network can learn the description of edges and use it to efficiently detect them in acquired point clouds. After successfully applying a multi-scale CNN on SSMs for the efficient classification of edges and their neighborhood, we propose a new lightweight neural network architecture outperforming the CNN in learning time, processing time and classification capabilities. Our architecture is compact, requires small learning sets, is very fast to train and classifies millions of points in seconds.

Counterfactual explanations (CFE) are being widely used to explain algorithmic decisions, especially in consequential decision-making contexts (e.g., loan approval or pretrial bail). In this context, CFEs aim to provide individuals affected by an algorithmic decision with the most similar individual (i.e., nearest individual) with a different outcome. However, while an increasing number of works propose algorithms to compute CFEs, such approaches either lack in optimality of distance (i.e., they do not return the nearest individual) and perfect coverage (i.e., they do not provide a CFE for all individuals); or they cannot handle complex models, such as neural networks. In this work, we provide a framework based on Mixed-Integer Programming (MIP) to compute nearest counterfactual explanations with provable guarantees and with runtimes comparable to gradient-based approaches. Our experiments on the Adult, COMPAS, and Credit datasets show that, in contrast with previous methods, our approach allows for efficiently computing diverse CFEs with both distance guarantees and perfect coverage.

Machine learning is increasingly used to inform decision-making in sensitive situations where decisions have consequential effects on individuals' lives. In these settings, in addition to requiring models to be accurate and robust, socially relevant values such as fairness, privacy, accountability, and explainability play an important role for the adoption and impact of said technologies. In this work, we focus on algorithmic recourse, which is concerned with providing explanations and recommendations to individuals who are unfavourably treated by automated decision-making systems. We first perform an extensive literature review, and align the efforts of many authors by presenting unified definitions, formulations, and solutions to recourse. Then, we provide an overview of the prospective research directions towards which the community may engage, challenging existing assumptions and making explicit connections to other ethical challenges such as security, privacy, and fairness.

This paper proposes a sequential design for maximizing a stochastic computer simulator output, y(x), over an unknown optimization domain. The training data used to estimate the optimization domain are a set of (historical) inputs, often from a physical system modeled by the simulator. Two methods are provided for estimating the simulator input domain. An extension of the well-known efficient global optimization algorithm is presented to maximize y(x). The domain estimation/maximization procedure is applied to two readily understood analytic examples. It is also used to solve a problem in nuclear safety by maximizing the k-effective "criticality coefficient" of spent fuel rods, considered as one-dimensional heterogeneous fissile media. One of the two domain estimation methods relies on expertise-type constraints. We show that these constraints, initially chosen to address the spent fuel rod example, are robust in that they also lead to good results in the second analytic optimization example. Of course, in other applications, it could be necessary to design alternative constraints that are more suitable for these applications.

Logical relations are one of the most powerful techniques in the theory of programming languages, and have been used extensively for proving properties of a variety of higher-order calculi. However, there are properties that cannot be immediately proved by means of logical relations, for instance program continuity and differentiability in higher-order languages extended with real-valued functions. Informally, the problem stems from the fact that these properties are naturally expressed on terms of non-ground type (or, equivalently, on open terms of base type), and there is no apparent good definition for a base case (i.e. for closed terms of ground types). To overcome this issue, we study a generalization of the concept of a logical relation, called \emph{open logical relation}, and prove that it can be fruitfully applied in several contexts in which the property of interest is about expressions of first-order type. Our setting is a simply-typed $\lambda$-calculus enriched with real numbers and real-valued first-order functions from a given set, such as the one of continuous or differentiable functions. We first prove a containment theorem stating that for any such a collection of functions including projection functions and closed under function composition, any well-typed term of first-order type denotes a function belonging to that collection. Then, we show by way of open logical relations the correctness of the core of a recently published algorithm for forward automatic differentiation. Finally, we define a refinement-based type system for local continuity in an extension of our calculus with conditionals, and prove the soundness of the type system using open logical relations.

We study expected runtimes for quantum programs. Inspired by recent work on probabilistic programs, we first define expected runtime as a generalisation of quantum weakest precondition. Then, we show that the expected runtime of a quantum program can be represented as the expectation of an observable (in physics). A method for computing the expected runtimes of quantum programs in finite-dimensional state spaces is developed. Several examples are provided as applications of this method, including computing the expected runtime of quantum Bernoulli Factory -- a quantum algorithm for generating random numbers. In particular, using our new method, an open problem of computing the expected runtime of quantum random walks introduced by Ambainis et al. (STOC 2001) is solved.

Differential privacy is a de facto standard for statistical computations over databases that contain private data. The strength of differential privacy lies in a rigorous mathematical definition that guarantees individual privacy and yet allows for accurate statistical results. Thanks to its mathematical definition, differential privacy is also a natural target for formal analysis. A broad line of work uses logical methods for proving privacy. However, these methods are not complete, and only partially automated. A recent and complementary line of work uses statistical methods for finding privacy violations. However, the methods only provide statistical guarantees (but no proofs). We propose the first decision procedure for checking the differential privacy of a non-trivial class of probabilistic computations. Our procedure takes as input a program P parametrized by a privacy budget $\epsilon$, and either proves differential privacy for all possible values of $\epsilon$ or generates a counterexample. In addition, our procedure applies both to $\epsilon$-differential privacy and $(\epsilon,\delta)$-differential privacy. Technically, the decision procedure is based on a novel and judicious encoding of the semantics of programs in our class into a decidable fragment of the first-order theory of the reals with exponentiation. We implement our procedure and use it for (dis)proving privacy bounds for many well-known examples, including randomized response, histogram, report noisy max and sparse vector.

Probability measures satisfying a Poincar{\'e} inequality are known to enjoy a dimension free concentration inequality with exponential rate. A celebrated result of Bobkov and Ledoux shows that a Poincar{\'e} inequality automatically implies a modified logarithmic Sobolev inequality. As a consequence the Poincar{\'e} inequality ensures a stronger dimension free concentration property , known as two-level concentration. We show that a similar phenomenon occurs for the Latala-Oleszkiewicz inequalities, which were devised to uncover dimension free concentration with rate between exponential and Gaussian. Motivated by the search for counterexamples to related questions, we also develop analytic techniques to study functional inequalities for probability measures on the line with wild potentials.