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Research on algorithms has drastically increased in recent years. Various sub-disciplines of computer science investigate algorithms according to different objectives and standards. This plurality of the field has led to various methodological advances that have not yet been transferred to neighboring sub-disciplines. The central roadblock for a better knowledge exchange is the lack of a common methodological framework integrating the perspectives of these sub-disciplines. It is the objective of this paper to develop a research framework for algorithm engineering. Our framework builds on three areas discussed in the philosophy of science: ontology, epistemology and methodology. In essence, ontology describes algorithm engineering as being concerned with algorithmic problems, algorithmic tasks, algorithm designs and algorithm implementations. Epistemology describes the body of knowledge of algorithm engineering as a collection of prescriptive and descriptive knowledge, residing in World 3 of Popper's Three Worlds model. Methodology refers to the steps how we can systematically enhance our knowledge of specific algorithms. The framework helps us to identify and discuss various validity concerns relevant to any algorithm engineering contribution. In this way, our framework has important implications for researching algorithms in various areas of computer science.

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《工程》是中國工程院(CAE)于2015年推出的國際開放存取期刊。其目的是提供一個高水平的平臺,傳播和分享工程研發的前沿進展、當前主要研究成果和關鍵成果;報告工程科學的進展,討論工程發展的熱點、興趣領域、挑戰和前景,在工程中考慮人與環境的福祉和倫理道德,鼓勵具有深遠經濟和社會意義的工程突破和創新,使之達到國際先進水平,成為新的生產力,從而改變世界,造福人類,創造新的未來。 期刊鏈接: · Networking · Performer · 自編碼器 · TOOLS ·
2023 年 12 月 15 日

Many applications, such as optimization, uncertainty quantification and inverse problems, require repeatedly performing simulations of large-dimensional physical systems for different choices of parameters. This can be prohibitively expensive. In order to save computational cost, one can construct surrogate models by expressing the system in a low-dimensional basis, obtained from training data. This is referred to as model reduction. Past investigations have shown that, when performing model reduction of Hamiltonian systems, it is crucial to preserve the symplectic structure associated with the system in order to ensure long-term numerical stability. Up to this point structure-preserving reductions have largely been limited to linear transformations. We propose a new neural network architecture in the spirit of autoencoders, which are established tools for dimension reduction and feature extraction in data science, to obtain more general mappings. In order to train the network, a non-standard gradient descent approach is applied that leverages the differential-geometric structure emerging from the network design. The new architecture is shown to significantly outperform existing designs in accuracy.

This paper advances theoretical understanding of infinite-dimensional geometrical properties associated with Bayesian inference. First, we introduce a novel class of infinite-dimensional Hamiltonian systems for saddle Hamiltonian functions whose domains are metric spaces. A flow of this system is generated by a Hamiltonian arc field, an analogue of Hamiltonian vector fields formulated based on (i) the first variation of Hamiltonian functions and (ii) the notion of arc fields that extends vector fields to metric spaces. We establish that this system obeys the conservation of energy. We derive a condition for the existence of the flow, which reduces to local Lipschitz continuity of the first variation under sufficient regularity. Second, we present a system of a Hamiltonian function, called the minimum free energy, whose domain is a metric space of negative log-likelihoods and probability measures. The difference of the posterior and the prior of Bayesian inference is characterised as the first variation of the minimum free energy. Our result shows that a transition from the prior to the posterior defines an arc field on a space of probability measures, which forms a Hamiltonian arc field together with another corresponding arc field on a space of negative log-likelihoods. This reveals the underlying invariance of the free energy behind the arc field.

Program completion is a translation from the language of logic programs into the language of first-order theories. Its original definition has been extended to programs that include integer arithmetic, accept input, and distinguish between output predicates and auxiliary predicates. For tight programs, that generalization of completion is known to match the stable model semantics, which is the basis of answer set programming. We show that the tightness condition in this theorem can be replaced by a less restrictive "local tightness" requirement. From this fact we conclude that the proof assistant anthem-p2p can be used to verify equivalence between locally tight programs. Under consideration for publication in Theory and Practice of Logic Programming

Maximum likelihood estimation (MLE) is a fundamental problem in statistics. Characteristics of the MLE problem for algebraic statistical models are reflected in the geometry of the likelihood correspondence, a variety that ties together data and their maximum likelihood estimators. We construct the ideal of the likelihood correspondence for the large class of toric models and find a Gr\"obner basis in the case of complete and joint independence models arising from multi-way contingency tables. These results provide insight into their properties and offer faster computational strategies for solving the MLE problem.

Causal abstraction (CA) theory establishes formal criteria for relating multiple structural causal models (SCMs) at different levels of granularity by defining maps between them. These maps have significant relevance for real-world challenges such as synthesizing causal evidence from multiple experimental environments, learning causally consistent representations at different resolutions, and linking interventions across multiple SCMs. In this work, we propose COTA, the first method to learn abstraction maps from observational and interventional data without assuming complete knowledge of the underlying SCMs. In particular, we introduce a multi-marginal Optimal Transport (OT) formulation that enforces do-calculus causal constraints, together with a cost function that relies on interventional information. We extensively evaluate COTA on synthetic and real world problems, and showcase its advantages over non-causal, independent and aggregated COTA formulations. Finally, we demonstrate the efficiency of our method as a data augmentation tool by comparing it against the state-of-the-art CA learning framework, which assumes fully specified SCMs, on a real-world downstream task.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

Transformers have achieved great success in many artificial intelligence fields, such as natural language processing, computer vision, and audio processing. Therefore, it is natural to attract lots of interest from academic and industry researchers. Up to the present, a great variety of Transformer variants (a.k.a. X-formers) have been proposed, however, a systematic and comprehensive literature review on these Transformer variants is still missing. In this survey, we provide a comprehensive review of various X-formers. We first briefly introduce the vanilla Transformer and then propose a new taxonomy of X-formers. Next, we introduce the various X-formers from three perspectives: architectural modification, pre-training, and applications. Finally, we outline some potential directions for future research.

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.

We describe the new field of mathematical analysis of deep learning. This field emerged around a list of research questions that were not answered within the classical framework of learning theory. These questions concern: the outstanding generalization power of overparametrized neural networks, the role of depth in deep architectures, the apparent absence of the curse of dimensionality, the surprisingly successful optimization performance despite the non-convexity of the problem, understanding what features are learned, why deep architectures perform exceptionally well in physical problems, and which fine aspects of an architecture affect the behavior of a learning task in which way. We present an overview of modern approaches that yield partial answers to these questions. For selected approaches, we describe the main ideas in more detail.

Graphical causal inference as pioneered by Judea Pearl arose from research on artificial intelligence (AI), and for a long time had little connection to the field of machine learning. This article discusses where links have been and should be established, introducing key concepts along the way. It argues that the hard open problems of machine learning and AI are intrinsically related to causality, and explains how the field is beginning to understand them.

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