This chapter is a preprint from our book by , focusing on leveraging machine learning (ML) in chemical and polyolefin manufacturing optimization. It's crafted for both novices and seasoned professionals keen on the latest ML applications in chemical processes. We trace the evolution of AI and ML in chemical industries, delineate core ML components, and provide resources for ML beginners. A detailed discussion on various ML methods is presented, covering regression, classification, and unsupervised learning techniques, with performance metrics and examples. Ensemble methods, deep learning networks, including MLP, DNNs, RNNs, CNNs, and transformers, are explored for their growing role in chemical applications. Practical workshops guide readers through predictive modeling using advanced ML algorithms. The chapter culminates with insights into science-guided ML, advocating for a hybrid approach that enhances model accuracy. The extensive bibliography offers resources for further research and practical implementation. This chapter aims to be a thorough primer on ML's practical application in chemical engineering, particularly for polyolefin production, and sets the stage for continued learning in subsequent chapters. Please cite the original work [169,170] when referencing.
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Dense subgraph extraction is a fundamental problem in graph analysis and data mining, aimed at identifying cohesive and densely connected substructures within a given graph. It plays a crucial role in various domains, including social network analysis, biological network analysis, recommendation systems, and community detection. However, extracting a subgraph with the highest node similarity is a lack of exploration. To address this problem, we studied the Member Selection Problem and extended it with a dynamic constraint variant. By incorporating dynamic constraints, our algorithm can adapt to changing conditions or requirements, allowing for more flexible and personalized subgraph extraction. This approach enables the algorithm to provide tailored solutions that meet specific needs, even in scenarios where constraints may vary over time. We also provide the theoretical analysis to show that our algorithm is 1/3-approximation. Eventually, the experiments show that our algorithm is effective and efficient in tackling the member selection problem with dynamic constraints.
Worked examples (solutions to typical programming problems presented as a source code in a certain language and are used to explain the topics from a programming class) are among the most popular types of learning content in programming classes. Most approaches and tools for presenting these examples to students are based on line-by-line explanations of the example code. However, instructors rarely have time to provide line-by-line explanations for a large number of examples typically used in a programming class. In this paper, we explore and assess a human-AI collaboration approach to authoring worked examples for Java programming. We introduce an authoring system for creating Java worked examples that generates a starting version of code explanations and presents it to the instructor to edit if necessary.We also present a study that assesses the quality of explanations created with this approach
We present a generalized distance metric that can be used to implement routing strategies and identify routing table entries to reach the root node for a given key, in a DHT (Distributed Hash Table) network based on either Chord, Kademlia, Tapestry, or Pastry. The generalization shows that all the above four DHT algorithms are in fact, the same algorithm but with different parameters in distance representation. We also proposes that nodes can have routing tables of varying sizes based on their memory capabilities but with the fact that each node must have at least two entries, one for the node closest from it, and the other for the node from whom it is closest in each ring components for all the algorithms. Messages will always reach the correct root nodes by following the above rule. We also further observe that in any network, if the distance metric to define the root node in the DHT is same at all the nodes, then the root node for a key will also be the same, irrespective of the size of the routing table at different nodes.
Recent advancements in the realm of deep learning, particularly in the development of large language models (LLMs), have demonstrated AI's ability to tackle complex mathematical problems or solving programming challenges. However, the capability to solve well-defined problems based on extensive training data differs significantly from the nuanced process of making scientific discoveries. Trained on almost all human knowledge available, today's sophisticated LLMs basically learn to predict sequences of tokens. They generate mathematical derivations and write code in a similar way as writing an essay, and do not have the ability to pioneer scientific discoveries in the manner a human scientist would do. In this study we delve into the potential of using deep learning to rediscover a fundamental mathematical concept: integrals. By defining integrals as area under the curve, we illustrate how AI can deduce the integral of a given function, exemplified by inferring $\int_{0}^{x} t^2 dt = \frac{x^3}{3}$ and $\int_{0}^{x} ae^{bt} dt = \frac{a}{b} e^{bx} - \frac{a}{b}$. Our experiments show that deep learning models can approach the task of inferring integrals either through a sequence-to-sequence model, akin to language translation, or by uncovering the rudimentary principles of integration, such as $\int_{0}^{x} t^n dt = \frac{x^{n+1}}{n+1}$.
Mathematical reasoning is a fundamental aspect of human intelligence and is applicable in various fields, including science, engineering, finance, and everyday life. The development of artificial intelligence (AI) systems capable of solving math problems and proving theorems has garnered significant interest in the fields of machine learning and natural language processing. For example, mathematics serves as a testbed for aspects of reasoning that are challenging for powerful deep learning models, driving new algorithmic and modeling advances. On the other hand, recent advances in large-scale neural language models have opened up new benchmarks and opportunities to use deep learning for mathematical reasoning. In this survey paper, we review the key tasks, datasets, and methods at the intersection of mathematical reasoning and deep learning over the past decade. We also evaluate existing benchmarks and methods, and discuss future research directions in this domain.
Pre-trained Language Models (PLMs) which are trained on large text corpus via self-supervised learning method, have yielded promising performance on various tasks in Natural Language Processing (NLP). However, though PLMs with huge parameters can effectively possess rich knowledge learned from massive training text and benefit downstream tasks at the fine-tuning stage, they still have some limitations such as poor reasoning ability due to the lack of external knowledge. Research has been dedicated to incorporating knowledge into PLMs to tackle these issues. In this paper, we present a comprehensive review of Knowledge-Enhanced Pre-trained Language Models (KE-PLMs) to provide a clear insight into this thriving field. We introduce appropriate taxonomies respectively for Natural Language Understanding (NLU) and Natural Language Generation (NLG) to highlight these two main tasks of NLP. For NLU, we divide the types of knowledge into four categories: linguistic knowledge, text knowledge, knowledge graph (KG), and rule knowledge. The KE-PLMs for NLG are categorized into KG-based and retrieval-based methods. Finally, we point out some promising future directions of KE-PLMs.
In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
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.
Neural machine translation (NMT) is a deep learning based approach for machine translation, which yields the state-of-the-art translation performance in scenarios where large-scale parallel corpora are available. Although the high-quality and domain-specific translation is crucial in the real world, domain-specific corpora are usually scarce or nonexistent, and thus vanilla NMT performs poorly in such scenarios. Domain adaptation that leverages both out-of-domain parallel corpora as well as monolingual corpora for in-domain translation, is very important for domain-specific translation. In this paper, we give a comprehensive survey of the state-of-the-art domain adaptation techniques for NMT.
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