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Process synthesis experiences a disruptive transformation accelerated by digitization and artificial intelligence. We propose a reinforcement learning algorithm for chemical process design based on a state-of-the-art actor-critic logic. Our proposed algorithm represents chemical processes as graphs and uses graph convolutional neural networks to learn from process graphs. In particular, the graph neural networks are implemented within the agent architecture to process the states and make decisions. Moreover, we implement a hierarchical and hybrid decision-making process to generate flowsheets, where unit operations are placed iteratively as discrete decisions and corresponding design variables are selected as continuous decisions. We demonstrate the potential of our method to design economically viable flowsheets in an illustrative case study comprising equilibrium reactions, azeotropic separation, and recycles. The results show quick learning in discrete, continuous, and hybrid action spaces. Due to the flexible architecture of the proposed reinforcement learning agent, the method is predestined to include large action-state spaces and an interface to process simulators in future research.

Microservice system solutions are driving digital transformation; however, fundamental tools and system perspectives are missing to better observe, understand, and manage these systems, their properties, and their dependencies. Microservices architecture leads towards decentralization, which implies many advantages to system operation; it, however, brings challenges to their development. Microservice systems often lack a system-centric perspective that would help engineers better cope with system evolution and quality assessment. In this work, we explored microservice-specific architecture reconstruction based on static analysis. Such reconstruction typically results in system models to visualize selected system-centric perspectives. Conventional models involve 2D methods; however, these methods are limited in utility when services proliferate. We considered various architectural perspectives relevant to microservices and assessed the relevancy of the traditional method, comparing it to alternative data visualization using 3D space. As a representative of the 3D method, we considered a 3D graph model presented in augmented reality. To begin testing the feasibility of deriving such perspectives from microservice systems, we developed and implemented prototype tools for software architecture reconstruction and visualization of compared perspectives. Using these prototypes, we performed a small user study with software practitioners to highlight the potentials and limitations of these innovative visualizations used for common practitioner reasoning and tasks.

Exploring and establishing artificial neural networks with electrophysiological characteristics and high computational efficiency is a popular topic in the field of computer vision. Inspired by the working mechanism of primary visual cortex, pulse-coupled neural network (PCNN) can exhibit the characteristics of synchronous oscillation, refractory period, and exponential decay. However, electrophysiological evidence shows that the neurons exhibit highly complex non-linear dynamics when stimulated by external periodic signals. This chaos phenomenon, also known as the " butterfly effect", cannot be explained by all PCNN models. In this work, we analyze the main obstacle preventing PCNN models from imitating real primary visual cortex. We consider neuronal excitation as a stochastic process. We then propose a novel neural network, called continuous-coupled neural network (CCNN). Theoretical analysis indicates that the dynamic behavior of CCNN is distinct from PCNN. Numerical results show that the CCNN model exhibits periodic behavior under DC stimulus, and exhibits chaotic behavior under AC stimulus, which is consistent with the results of real neurons. Furthermore, the image and video processing mechanisms of the CCNN model are analyzed. Experimental results on image segmentation indicate that the CCNN model has better performance than the state-of-the-art of visual cortex neural network models.

Causal effect estimation from observational data is a challenging problem, especially with high dimensional data and in the presence of unobserved variables. The available data-driven methods for tackling the problem either provide an estimation of the bounds of a causal effect (i.e. nonunique estimation) or have low efficiency. The major hurdle for achieving high efficiency while trying to obtain unique and unbiased causal effect estimation is how to find a proper adjustment set for confounding control in a fast way, given the huge covariate space and considering unobserved variables. In this paper, we approach the problem as a local search task for finding valid adjustment sets in data. We establish the theorems to support the local search for adjustment sets, and we show that unique and unbiased estimation can be achieved from observational data even when there exist unobserved variables. We then propose a data-driven algorithm that is fast and consistent under mild assumptions. We also make use of a frequent pattern mining method to further speed up the search of minimal adjustment sets for causal effect estimation. Experiments conducted on extensive synthetic and real-world datasets demonstrate that the proposed algorithm outperforms the state-of-the-art criteria/estimators in both accuracy and time-efficiency.

This paper does not describe a working system. Instead, it presents a single idea about representation which allows advances made by several different groups to be combined into an imaginary system called GLOM. The advances include transformers, neural fields, contrastive representation learning, distillation and capsules. GLOM answers the question: How can a neural network with a fixed architecture parse an image into a part-whole hierarchy which has a different structure for each image? The idea is simply to use islands of identical vectors to represent the nodes in the parse tree. If GLOM can be made to work, it should significantly improve the interpretability of the representations produced by transformer-like systems when applied to vision or language

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

Video captioning is the task of automatically generating a textual description of the actions in a video. Although previous work (e.g. sequence-to-sequence model) has shown promising results in abstracting a coarse description of a short video, it is still very challenging to caption a video containing multiple fine-grained actions with a detailed description. This paper aims to address the challenge by proposing a novel hierarchical reinforcement learning framework for video captioning, where a high-level Manager module learns to design sub-goals and a low-level Worker module recognizes the primitive actions to fulfill the sub-goal. With this compositional framework to reinforce video captioning at different levels, our approach significantly outperforms all the baseline methods on a newly introduced large-scale dataset for fine-grained video captioning. Furthermore, our non-ensemble model has already achieved the state-of-the-art results on the widely-used MSR-VTT dataset.