When you think of the words "data" and "mine", no doubt the idea of data mining comes first. However, just as much as we find value in mining the rich resources of data, so too can we apply the advanced techniques for dealing with data to real-world mining -- that is, extracting natural resources from the earth. The world is just as dependent on natural resources as it is data resources, so it makes sense to see how the evolving areas of artificial intelligence and machine learning have an impact on the world of mining and natural resource extraction. Mining has always been a dangerous profession, since extracting minerals, natural gas, petroleum, and other resources requires working in conditions that can be dangerous for human life. Increasingly, we are needing to go to harsher climates such as deep under the ocean or deep inside the earth to extract the resources we still need.

Machine learning is employed at an increasing rate in the research field of quantum chemistry. While the majority of approaches target the investigation of chemical systems in their electronic ground state, the inclusion of light into the processes leads to electronically excited states and gives rise to several new challenges. Here, we survey recent advances for excited-state dynamics based on machine learning. In doing so, we highlight successes, pitfalls, challenges and future avenues for machine learning approaches for light-induced molecular processes. Keywords: machine learning, photodynamics, photochemistry, excited states, quantum chemistry, spin-orbit couplings, nonadiabatic couplings.

In recent years, researchers have become increasingly interested in outlying aspect mining. Outlying aspect mining is the task of finding a set of feature(s), where a given data object is different from the rest of the data objects. Remarkably few studies have been designed to address the problem of outlying aspect mining; therefore, little is known about outlying aspect mining approaches and their strengths and weaknesses among researchers. In this work, we have grouped existing outlying aspect mining approaches in three different categories. For each category, we have provided existing work that falls in that category and then provided their strengths and weaknesses in those categories. We also offer time complexity comparison of the current techniques since it is a crucial issue in the real-world scenario. The motive behind this paper is to give a better understanding of the existing outlying aspect mining techniques and how these techniques have been developed.

In 10 years, the circular economy will be the only economy, replacing wasteful linear economies, predicts Gartner. According to Gartner, circular economic business models encourage continuous reuse of materials to minimise waste and the demand for additional natural resource consumption. "The circular economy creates an ecosystem of materials," notes Sarah Watt, senior director analyst at Gartner. "What was previously viewed as waste now has value. However those ecosystems are complex, and include many interdependencies and feedback loops."

Researchers from U of T Engineering and Carnegie Mellon University are using electrolyzers like this one to convert waste CO2 into commercially valuable chemicals. Their latest catalyst, designed in part through the use of AI, is the most efficient in its class. Researchers at University of Toronto Engineering and Carnegie Mellon University are using artificial intelligence (AI) to accelerate progress in transforming waste carbon into a commercially valuable product with record efficiency. They leveraged AI to speed up the search for the key material in a new catalyst that converts carbon dioxide (CO2) into ethylene -- a chemical precursor to a wide range of products, from plastics to dish detergent. The resulting electrocatalyst is the most efficient in its class.

Hybrid variations of metaheuristics that include data mining strategies have been utilized to solve a variety of combinatorial optimization problems, with superior and encouraging results. Previous hybrid strategies applied mined patterns to guide the construction of initial solutions, leading to more effective exploration of the solution space. Solving a combinatorial optimization problem is usually a hard task because its solution space grows exponentially with its size. Therefore, problem size reduction is also a useful strategy in this context, especially in the case of large-scale problems. In this paper, we build upon these ideas by presenting an approach named MineReduce, which uses mined patterns to perform problem size reduction. We present an application of MineReduce to improve a heuristic for the heterogeneous fleet vehicle routing problem. The results obtained in computational experiments show that this proposed heuristic demonstrates superior performance compared to the original heuristic and other state-of-the-art heuristics, achieving better solution costs with shorter run times.

The gradual patterns that model the complex co-variations of attributes of the form "The more/less X, The more/less Y" play a crucial role in many real world applications where the amount of numerical data to manage is important, this is the biological data. Recently, these types of patterns have caught the attention of the data mining community, where several methods have been defined to automatically extract and manage these patterns from different data models. However, these methods are often faced the problem of managing the quantity of mined patterns, and in many practical applications, the calculation of all these patterns can prove to be intractable for the user-defined frequency threshold and the lack of focus leads to generating huge collections of patterns. Moreover another problem with the traditional approaches is that the concept of gradualness is defined just as an increase or a decrease. Indeed, a gradualness is considered as soon as the values of the attribute on both objects are different. As a result, numerous quantities of patterns extracted by traditional algorithms can be presented to the user although their gradualness is only a noise effect in the data. To address this issue, this paper suggests to introduce the gradualness thresholds from which to consider an increase or a decrease. In contrast to literature approaches, the proposed approach takes into account the distribution of attribute values, as well as the user's preferences on the gradualness threshold and makes it possible to extract gradual patterns on certain databases where literature approaches fail due to too large search space. Moreover, results from an experimental evaluation on real databases show that the proposed algorithm is scalable, efficient, and can eliminate numerous patterns that do not verify specific gradualness requirements to show a small set of patterns to the user.

Before committing to a company, investors want to know if there are any potential controversies brewing, or if the company shows particular leadership in an area of ESG, such as diversity in the workforce. Refinitiv is a global provider of financial market data and infrastructure, and this article describes how their Labs team is exploring the use of NLP to give their clients a competitive edge in global financial markets. Currently, Refinitiv analysts search for news stories about a specific company using a set of ESG-related keywords, and if there's a positive match, the story is subject to further scrutiny. CHICAGO (Reuters) -- The agricultural unit of German chemicals company Bayer AG will halt future U.S. sales of an insecticide that can be used on more than 200 crops after losing a fight with the U.S. Environment Protection Agency, the company said on Friday. This can take the analyst some considerable time.

Gaussian processes~(Kriging) are interpolating data-driven models that are frequently applied in various disciplines. Often, Gaussian processes are trained on datasets and are subsequently embedded as surrogate models in optimization problems. These optimization problems are nonconvex and global optimization is desired. However, previous literature observed computational burdens limiting deterministic global optimization to Gaussian processes trained on few data points. We propose a reduced-space formulation for deterministic global optimization with trained Gaussian processes embedded. For optimization, the branch-and-bound solver branches only on the degrees of freedom and McCormick relaxations are propagated through explicit Gaussian process models. The approach also leads to significantly smaller and computationally cheaper subproblems for lower and upper bounding. To further accelerate convergence, we derive envelopes of common covariance functions for GPs and tight relaxations of acquisition functions used in Bayesian optimization including expected improvement, probability of improvement, and lower confidence bound. In total, we reduce computational time by orders of magnitude compared to state-of-the-art methods, thus overcoming previous computational burdens. We demonstrate the performance and scaling of the proposed method and apply it to Bayesian optimization with global optimization of the acquisition function and chance-constrained programming. The Gaussian process models, acquisition functions, and training scripts are available open-source within the "MeLOn - Machine Learning Models for Optimization" toolbox~(https://git.rwth-aachen.de/avt.svt/public/MeLOn).

Moog Inc. has automated the evaluation of copper (Cu) alloy grain size using a deep-learning convolutional neural network (CNN). The proof-of-concept automated image acquisition and batch-wise image processing offers the potential for significantly reduced labor, improved accuracy of grain evaluation, and decreased overall turnaround times for approving Cu alloy bar stock for use in flight critical aircraft hardware. A classification accuracy of 91.1% on individual sub-images of the Cu alloy coupons was achieved. Process development included minimizing the variation in acquired image color, brightness, and resolution to create a dataset with 12300 sub-images, and then optimizing the CNN hyperparameters on this dataset using statistical design of experiments (DoE). Over the development of the automated Cu alloy grain size evaluation, a degree of "explainability" in the artificial intelligence (XAI) output was realized, based on the decomposition of the large raw images into many smaller dataset sub-images, through the ability to explain the CNN ensemble image output via inspection of the classification results from the individual smaller sub-images.