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Recent attacks on Machine Learning (ML) models such as evasion attacks with adversarial examples and models stealing through extraction attacks pose several security and privacy threats. Prior work proposes to use adversarial training to secure models from adversarial examples that can evade the classification of a model and deteriorate its performance. However, this protection technique affects the model's decision boundary and its prediction probabilities, hence it might raise model privacy risks. In fact, a malicious user using only a query access to the prediction output of a model can extract it and obtain a high-accuracy and high-fidelity surrogate model. To have a greater extraction, these attacks leverage the prediction probabilities of the victim model. Indeed, all previous work on extraction attacks do not take into consideration the changes in the training process for security purposes. In this paper, we propose a framework to assess extraction attacks on adversarially trained models with vision datasets. To the best of our knowledge, our work is the first to perform such evaluation. Through an extensive empirical study, we demonstrate that adversarially trained models are more vulnerable to extraction attacks than models obtained under natural training circumstances. They can achieve up to $\times1.2$ higher accuracy and agreement with a fraction lower than $\times0.75$ of the queries. We additionally find that the adversarial robustness capability is transferable through extraction attacks, i.e., extracted Deep Neural Networks (DNNs) from robust models show an enhanced accuracy to adversarial examples compared to extracted DNNs from naturally trained (i.e. standard) models.

Novel view synthesis has recently been revolutionized by learning neural radiance fields directly from sparse observations. However, rendering images with this new paradigm is slow due to the fact that an accurate quadrature of the volume rendering equation requires a large number of samples for each ray. Previous work has mainly focused on speeding up the network evaluations that are associated with each sample point, e.g., via caching of radiance values into explicit spatial data structures, but this comes at the expense of model compactness. In this paper, we propose a novel dual-network architecture that takes an orthogonal direction by learning how to best reduce the number of required sample points. To this end, we split our network into a sampling and shading network that are jointly trained. Our training scheme employs fixed sample positions along each ray, and incrementally introduces sparsity throughout training to achieve high quality even at low sample counts. After fine-tuning with the target number of samples, the resulting compact neural representation can be rendered in real-time. Our experiments demonstrate that our approach outperforms concurrent compact neural representations in terms of quality and frame rate and performs on par with highly efficient hybrid representations. Code and supplementary material is available at //thomasneff.github.io/adanerf.

Driving simulators play a large role in developing and testing new intelligent vehicle systems. The visual fidelity of the simulation is critical for building vision-based algorithms and conducting human driver experiments. Low visual fidelity breaks immersion for human-in-the-loop driving experiments. Conventional computer graphics pipelines use detailed 3D models, meshes, textures, and rendering engines to generate 2D images from 3D scenes. These processes are labor-intensive, and they do not generate photorealistic imagery. Here we introduce a hybrid generative neural graphics pipeline for improving the visual fidelity of driving simulations. Given a 3D scene, we partially render only important objects of interest, such as vehicles, and use generative adversarial processes to synthesize the background and the rest of the image. To this end, we propose a novel image formation strategy to form 2D semantic images from 3D scenery consisting of simple object models without textures. These semantic images are then converted into photorealistic RGB images with a state-of-the-art Generative Adversarial Network (GAN) trained on real-world driving scenes. This replaces repetitiveness with randomly generated but photorealistic surfaces. Finally, the partially-rendered and GAN synthesized images are blended with a blending GAN. We show that the photorealism of images generated with the proposed method is more similar to real-world driving datasets such as Cityscapes and KITTI than conventional approaches. This comparison is made using semantic retention analysis and Frechet Inception Distance (FID) measurements.

Machine Learning (ML) models have, in contrast to their usefulness in molecular dynamics studies, had limited success as surrogate potentials for reaction barrier search. It is due to the scarcity of training data in relevant transition state regions of chemical space. Currently, available datasets for training ML models on small molecular systems almost exclusively contain configurations at or near equilibrium. In this work, we present the dataset Transition1x containing 9.6 million Density Functional Theory (DFT) calculations of forces and energies of molecular configurations on and around reaction pathways at the wB97x/6-31G(d) level of theory. The data was generated by running Nudged Elastic Band (NEB) calculations with DFT on 10k reactions while saving intermediate calculations. We train state-of-the-art equivariant graph message-passing neural network models on Transition1x and cross-validate on the popular ANI1x and QM9 datasets. We show that ML models cannot learn features in transition-state regions solely by training on hitherto popular benchmark datasets. Transition1x is a new challenging benchmark that will provide an important step towards developing next-generation ML force fields that also work far away from equilibrium configurations and reactive systems.

Knowledge graphs have emerged as an effective tool for managing and standardizing semistructured domain knowledge in a human- and machine-interpretable way. In terms of graph-based domain applications, such as embeddings and graph neural networks, current research is increasingly taking into account the time-related evolution of the information encoded within a graph. Algorithms and models for stationary and static knowledge graphs are extended to make them accessible for time-aware domains, where time-awareness can be interpreted in different ways. In particular, a distinction needs to be made between the validity period and the traceability of facts as objectives of time-related knowledge graph extensions. In this context, terms and definitions such as dynamic and temporal are often used inconsistently or interchangeably in the literature. Therefore, with this paper we aim to provide a short but well-defined overview of time-aware knowledge graph extensions and thus faciliate future research in this field as well.

We derive conditions for the existence of fixed points of cone mappings without assuming scalability of functions. Monotonicity and scalability are often inseparable in the literature in the context of searching for fixed points of interference mappings. In applications, such mappings are approximated by non-negative neural networks. It turns out, however, that the process of training non-negative networks requires imposing an artificial constraint on the weights of the model. However, in the case of specific non-negative data, it cannot be said that if the mapping is non-negative, it has only non-negative weights. Therefore, we considered the problem of the existence of fixed points for general neural networks, assuming the conditions of tangency conditions with respect to specific cones. This does not relax the physical assumptions, because even assuming that the input and output are to be non-negative, the weights can have (small, but) less than zero values. Such properties (often found in papers on the interpretability of weights of neural networks) lead to the weakening of the assumptions about the monotonicity or scalability of the mapping associated with the neural network. To the best of our knowledge, this paper is the first to study this phenomenon.

Security and safety are intertwined concepts in the world of computing. In recent years, the terms "sustainable security" and "sustainable safety" came into fashion and are being used referring to a variety of systems properties ranging from efficiency to profitability, and sometimes meaning that a product or service is good for people and planet. This leads to confusing perceptions of products where customers might expect a sustainable product to be developed without child labour, while the producer uses the term to signify that their new product uses marginally less power than the previous generation of that products. Even in research on sustainably safe and secure ICT, these different notions of terminology are prevalent. As researchers we often work towards optimising our subject of study towards one specific sustainability metric - let's say energy consumption - while being blissfully unaware of, e.g., social impacts, life-cycle impacts, or rebound effects of such optimisations. In this paper I dissect the idea of sustainable safety and security, starting from the questions of what we want to sustain, and for whom we want to sustain it. I believe that a general "people and planet" answer is inadequate here because this form of sustainability cannot be the property of a single industry sector but must be addressed by society as a whole. However, with sufficient understanding of life-cycle impacts we may very well be able to devise research and development efforts, and inform decision making processes towards the use of integrated safety and security solutions that help us to address societal challenges in the context of the climate and ecological crises, and that are aligned with concepts such as intersectionality and climate justice. Of course, these solutions can only be effective if they are embedded in societal and economic change towards more frugal uses of data and ICT.

Dedicated to Tony Hoare. In a paper published in 1972 Hoare articulated the fundamental notions of hiding invariants and simulations. Hiding: invariants on encapsulated data representations need not be mentioned in specifications that comprise the API of a module. Simulation: correctness of a new data representation and implementation can be established by proving simulation between the old and new implementations using a coupling relation defined on the encapsulated state. These results were formalized semantically and for a simple model of state, though the paper claimed this could be extended to encompass dynamically allocated objects. In recent years, progress has been made towards formalizing the claim, for simulation, though mainly in semantic developments. In this article, hiding and simulation are combined with the idea in Hoare's 1969 paper: a logic of programs. For an object-based language with dynamic allocation, we introduce a relational Hoare logic with stateful frame conditions that formalizes encapsulation, hiding of invariants, and couplings that relate two implementations. Relations and other assertions are expressed in first-order logic. Specifications can express a wide range of relational properties such as conditional equivalence and noninterference with declassification. The proof rules facilitate relational reasoning by means of convenient alignments and are shown sound with respect to a conventional operational semantics. A derived proof rule for equivalence of linked programs directly embodies representation independence. Applicability to representative examples is demonstrated using an SMT-based implementation.

Inspired by the human cognitive system, attention is a mechanism that imitates the human cognitive awareness about specific information, amplifying critical details to focus more on the essential aspects of data. Deep learning has employed attention to boost performance for many applications. Interestingly, the same attention design can suit processing different data modalities and can easily be incorporated into large networks. Furthermore, multiple complementary attention mechanisms can be incorporated in one network. Hence, attention techniques have become extremely attractive. However, the literature lacks a comprehensive survey specific to attention techniques to guide researchers in employing attention in their deep models. Note that, besides being demanding in terms of training data and computational resources, transformers only cover a single category in self-attention out of the many categories available. We fill this gap and provide an in-depth survey of 50 attention techniques categorizing them by their most prominent features. We initiate our discussion by introducing the fundamental concepts behind the success of attention mechanism. Next, we furnish some essentials such as the strengths and limitations of each attention category, describe their fundamental building blocks, basic formulations with primary usage, and applications specifically for computer vision. We also discuss the challenges and open questions related to attention mechanism in general. Finally, we recommend possible future research directions for deep attention.

We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.