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Modeling seeks to tame complexity during software development, by supporting design, analysis, and stakeholder communication. Paradoxically, experiences made by educators indicate that students often perceive modeling as adding complexity, instead of reducing it. In this position paper, I analyse modeling education from the lens of complexity science, a theoretical framework for the study of complex systems. I revisit pedagogical literature where complexity science has been used as a framework for general education and subject-specific education in disciplines such as medicine, project management, and sustainability. I revisit complexity-related challenges from modeling education literature, discuss them in the light of complexity and present recommendations for taming complexity when teaching modeling.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 可約的 · INTERACT · MoDELS · CASES ·
2023 年 10 月 13 日

We present an algorithm for computing melting points by autonomously learning from coexistence simulations in the NPT ensemble. Given the interatomic interaction model, the method makes decisions regarding the number of atoms and temperature at which to conduct simulations, and based on the collected data predicts the melting point along with the uncertainty, which can be systematically improved with more data. We demonstrate how incorporating physical models of the solid-liquid coexistence evolution enhances the algorithm's accuracy and enables optimal decision-making to effectively reduce predictive uncertainty. To validate our approach, we compare the results of 20 melting point calculations from the literature to the results of our calculations, all conducted with same interatomic potentials. Remarkably, we observe significant deviations in about one-third of the cases, underscoring the need for accurate and reliable algorithms for materials property calculations.

Linear logic has provided new perspectives on proof-theory, denotational semantics and the study of programming languages. One of its main successes are proof-nets, canonical representations of proofs that lie at the intersection between logic and graph theory. In the case of the minimalist proof-system of multiplicative linear logic without units (MLL), these two aspects are completely fused: proof-nets for this system are graphs satisfying a correctness criterion that can be fully expressed in the language of graphs. For more expressive logical systems (containing logical constants, quantifiers and exponential modalities), this is not completely the case. The purely graphical approach of proof-nets deprives them of any sequential structure that is crucial to represent the order in which arguments are presented, which is necessary for these extensions. Rebuilding this order of presentation - sequentializing the graph - is thus a requirement for a graph to be logical. Presentations and study of the artifacts ensuring that sequentialization can be done, such as boxes or jumps, are an integral part of researches on linear logic. Jumps, extensively studied by Faggian and di Giamberardino, can express intermediate degrees of sequentialization between a sequent calculus proof and a fully desequentialized proof-net. We propose to analyze the logical strength of jumps by internalizing them in an extention of MLL where axioms on a specific formula, the jumping formula, introduce constrains on the possible sequentializations. The jumping formula needs to be treated non-linearly, which we do either axiomatically, or by embedding it in a very controlled fragment of multiplicative-exponential linear logic, uncovering the exponential logic of sequentialization.

Complexity is a fundamental concept underlying statistical learning theory that aims to inform generalization performance. Parameter count, while successful in low-dimensional settings, is not well-justified for overparameterized settings when the number of parameters is more than the number of training samples. We revisit complexity measures based on Rissanen's principle of minimum description length (MDL) and define a novel MDL-based complexity (MDL-COMP) that remains valid for overparameterized models. MDL-COMP is defined via an optimality criterion over the encodings induced by a good Ridge estimator class. We provide an extensive theoretical characterization of MDL-COMP for linear models and kernel methods and show that it is not just a function of parameter count, but rather a function of the singular values of the design or the kernel matrix and the signal-to-noise ratio. For a linear model with $n$ observations, $d$ parameters, and i.i.d. Gaussian predictors, MDL-COMP scales linearly with $d$ when $d<n$, but the scaling is exponentially smaller -- $\log d$ for $d>n$. For kernel methods, we show that MDL-COMP informs minimax in-sample error, and can decrease as the dimensionality of the input increases. We also prove that MDL-COMP upper bounds the in-sample mean squared error (MSE). Via an array of simulations and real-data experiments, we show that a data-driven Prac-MDL-COMP informs hyper-parameter tuning for optimizing test MSE with ridge regression in limited data settings, sometimes improving upon cross-validation and (always) saving computational costs. Finally, our findings also suggest that the recently observed double decent phenomenons in overparameterized models might be a consequence of the choice of non-ideal estimators.

A key challenge when trying to understand innovation is that it is a dynamic, ongoing process, which can be highly contingent on ephemeral factors such as culture, economics, or luck. This means that any analysis of the real-world process must necessarily be historical - and thus probably too late to be most useful - but also cannot be sure what the properties of the web of connections between innovations is or was. Here I try to address this by designing and generating a set of synthetic innovation web "dictionaries" that can be used to host sampled innovation timelines, probe the overall statistics and behaviours of these processes, and determine the degree of their reliance on the structure or generating algorithm. Thus, inspired by the work of Fink, Reeves, Palma and Farr (2017) on innovation in language, gastronomy, and technology, I study how new symbol discovery manifests itself in terms of additional "word" vocabulary being available from dictionaries generated from a finite number of symbols. Several distinct dictionary generation models are investigated using numerical simulation, with emphasis on the scaling of knowledge as dictionary generators and parameters are varied, and the role of which order the symbols are discovered in.

In this paper, we propose nonlocal diffusion models with Dirichlet boundary. These nonlocal diffusion models preserve the maximum principle and also have corresponding variational form. With these good properties, It is relatively easy to prove the well-posedness and the vanishing nonlocality convergence. Furthermore, by specifically designed weight function, we can get a nonlocal diffusion model with second order convergence which is optimal for nonlocal diffusion models.

This paper introduces and studies the sequential composition and decomposition of propositional logic programs. We show that acyclic programs can be decomposed into single-rule programs and provide a general decomposition result for arbitrary programs. We show that the immediate consequence operator of a program can be represented via composition which allows us to compute its least model without any explicit reference to operators. This bridges the conceptual gap between the syntax and semantics of a propositional logic program in a mathematically satisfactory way.

This paper presents a new weak Galerkin (WG) method for elliptic interface problems on general curved polygonal partitions. The method's key innovation lies in its ability to transform the complex interface jump condition into a more manageable Dirichlet boundary condition, simplifying the theoretical analysis significantly. The numerical scheme is designed by using locally constructed weak gradient on the curved polygonal partitions. We establish error estimates of optimal order for the numerical approximation in both discrete $H^1$ and $L^2$ norms. Additionally, we present various numerical results that serve to illustrate the robust numerical performance of the proposed WG interface method.

We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.

When and why can a neural network be successfully trained? This article provides an overview of optimization algorithms and theory for training neural networks. First, we discuss the issue of gradient explosion/vanishing and the more general issue of undesirable spectrum, and then discuss practical solutions including careful initialization and normalization methods. Second, we review generic optimization methods used in training neural networks, such as SGD, adaptive gradient methods and distributed methods, and theoretical results for these algorithms. Third, we review existing research on the global issues of neural network training, including results on bad local minima, mode connectivity, lottery ticket hypothesis and infinite-width analysis.

Machine-learning models have demonstrated great success in learning complex patterns that enable them to make predictions about unobserved data. In addition to using models for prediction, the ability to interpret what a model has learned is receiving an increasing amount of attention. However, this increased focus has led to considerable confusion about the notion of interpretability. In particular, it is unclear how the wide array of proposed interpretation methods are related, and what common concepts can be used to evaluate them. We aim to address these concerns by defining interpretability in the context of machine learning and introducing the Predictive, Descriptive, Relevant (PDR) framework for discussing interpretations. The PDR framework provides three overarching desiderata for evaluation: predictive accuracy, descriptive accuracy and relevancy, with relevancy judged relative to a human audience. Moreover, to help manage the deluge of interpretation methods, we introduce a categorization of existing techniques into model-based and post-hoc categories, with sub-groups including sparsity, modularity and simulatability. To demonstrate how practitioners can use the PDR framework to evaluate and understand interpretations, we provide numerous real-world examples. These examples highlight the often under-appreciated role played by human audiences in discussions of interpretability. Finally, based on our framework, we discuss limitations of existing methods and directions for future work. We hope that this work will provide a common vocabulary that will make it easier for both practitioners and researchers to discuss and choose from the full range of interpretation methods.

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