Chemicals


What Smart Cities Are Learning From Smart Farms

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Cities around the world are getting smarter. Already, street lights in places like San Diego are turning off, and conserving energy, when vehicles and pedestrians aren't around. Soon, connected garbage cans will tell waste haulers when they need to be emptied, optimizing collection routes. Smart buildings will notify maintenance staff of impending repair needs. And parking spots will find you, instead of the other way around.


Telcos collaborate to scale the benefits of AIOps - TM Forum Inform

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The AIOps Catalyst team's work has resulted in a new collaborative workstream focused around the topic within TM Forum. Artificial intelligence (AI) offers huge opportunities for communications service providers (CSPs) to do things better, faster and cheaper. In fact, they have no choice but to introduce AI into operations and business processes due to growing complexity and the sheer volume of data and transactions. However, as well as delivering huge benefits, the introduction of AI also creates new challenges relating to the management of services and processes. A TM Forum Catalyst team is taking a two-pronged approach, tackling both these areas simultaneously to ensure CSPs – and their customers – reap the rewards of AI.


Spectroscopy and Chemometrics News Weekly #2, 2020

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NIRSpectroscopy NIRS Sensors NearInfrared Analyzers DigitalTransformation QualityControl foodtech machinelearning AI datascience LINK SAFE COST IN MAINTAINING NIR-SPECTROSCOPY METHODS NIRSpectroscopy NIRS Spectroscopy DigitalTransformation Analysis Lab Laboratory Application Quantitative Analysis Methods Measurements Analytical Parameters Spectrometer Quality Accuracy LINK Do you develop NIR / NIRS calibrations by yourself? Check out their product page … link Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us. Near Infrared "Study of chemical compound spatial distribution in biodegradable active films using NIR hyperspectral imaging and multivariate curve resolution" LINK "Advances in Near Infrared Spectroscopy and Related Computational Methods" MDPI Books – Pages: 496 OpenAccess NIRSpectroscopy NIRS NIR LINK " Ampliación de una librería espectral de mezclas unifeed analizadas en un instrumento NIRS de laboratorio" LINK "Applied Sciences, Vol. 9, Pages 5058: Single-Kernel FT-NIR Spectroscopy for Detecting Maturity of Cucumber Seeds Using a Multiclass Hierarchical Classification Strategy" LINK " Visible-near Infrared (VIS-NIR) Spectroscopy as a Rapid Measurement Tool to Assess the Effect of Tillage on Oil Contaminated Sites" LINK "Non-invasive measurements of'Yunhe'pears by vis-NIRS technology coupled with deviation fusion modeling approach" LINK "Standard Analytical Methods, Sensory Evaluation, NIRS and Electronic Tongue for Sensing Taste Attributes of Different Melon Varieties." LINK "Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis" LINK "Prediction Model of the Key Components for Lodging Resistance in Rapeseed Stalk Using Near-Infrared Reflectance Spectroscopy (NIRS)" LINK "NIR spectroscopic determination of urine components in spot urine: preliminary investigation towards optical point-of-care test." LINK "O-cresol Concentration Online Measurement Based On Near Infrared Spectroscopy Via Partial Least Square Regression."


Depth-First Proof-Number Search with Heuristic Edge Cost and Application to Chemical Synthesis Planning

Neural Information Processing Systems

Search techniques, such as Monte Carlo Tree Search (MCTS) and Proof-Number Search (PNS), are effective in playing and solving games. However, the understanding of their performance in industrial applications is still limited. We investigate MCTS and Depth-First Proof-Number (DFPN) Search, a PNS variant, in the domain of Retrosynthetic Analysis (RA). We find that DFPN's strengths, that justify its success in games, have limited value in RA, and that an enhanced MCTS variant by Segler et al. significantly outperforms DFPN. We address this disadvantage of DFPN in RA with a novel approach to combine DFPN with Heuristic Edge Initialization.


A Universal Catalyst for First-Order Optimization

Neural Information Processing Systems

We introduce a generic scheme for accelerating first-order optimization methods in the sense of Nesterov, which builds upon a new analysis of the accelerated proximal point algorithm. Our approach consists of minimizing a convex objective by approximately solving a sequence of well-chosen auxiliary problems, leading to faster convergence. This strategy applies to a large class of algorithms, including gradient descent, block coordinate descent, SAG, SAGA, SDCA, SVRG, Finito/MISO, and their proximal variants. For all of these methods, we provide acceleration and explicit support for non-strongly convex objectives. In addition to theoretical speed-up, we also show that acceleration is useful in practice, especially for ill-conditioned problems where we measure significant improvements.


AI specialist Exscientia signs drug discovery tie-up with Bayer -

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UK artificial intelligence company Exscientia has added another big pharma company to its partner roster, with Bayer seeking to use its platform to find new cardiovascular and cancer drugs. Bayer is pledging up to €240 million ($266 million) in upfront fees, ongoing research funding and clinical milestone payments under the terms of the three-year deal. The collaboration will use AI to accelerate discovery of small molecule drug candidates against targets in oncology and cardiovascular disease, with Bayer claiming rights to the compounds and Dundee-based Exscientia eligible for royalties on sales if they reach the market. Cancer and heart disease are at the forefront of Bayer's R&D focus along with women's health, haematology and ophthalmology. For eight-year-old Exscientia, Bayer joins a growing list of drugmakers who see its AI platform as a way to accelerate drug discovery and improve drug development productivity, potentially trimming years off the current 12 to 15 year cycle from early research to marketed product.


New Research Indicates AI May Be Catalyst to Making Healthcare More Human

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CHICAGO & LONDON--(BUSINESS WIRE)--Artificial Intelligence (AI) is widely expected to drive important benefits across the health system, from increasing efficiency to improving patient outcomes, but it also may be key to making healthcare more human. Benefits range from increasing the amount of time clinicians can spend with patients and on cross-care team collaboration to enhancing the ability to deliver preventative care. According to a new study of more than 900 healthcare professionals in the U.S. and U.K. conducted by MIT Technology Review Insights with GE Healthcare, nearly half of medical professionals surveyed said AI is already increasing their ability to spend time with and provide care to patients. Additionally, more than 78 percent of healthcare business leaders who reported they have deployed AI in their operations also reported that AI has helped drive workflow improvements, streamlining operational and administrative activities and delivering significant efficiencies toward transforming the future of healthcare. "Of any industry, AI could have the most profound benefits on human lives if we can effectively harness it across the healthcare system," said Kieran Murphy, President and CEO, GE Healthcare.


Mastering the 3 Ms

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Marketing today is on the threshold of change. In the past, marketing as we knew it was largely dominated by 30-second TV spots and other mass media such as print, outdoor, radio and so on. The number-crunching only came into play while deciding which medium to back in the advertising campaign and for what price to buy the media. But, look around today and there are the likes of Google, Facebook, Twitter and others who apply complex algorithms such as Page Rank, Adsense, marketing mix modelling, content marketing and so on along with technology (analytics, digital marketing, search engine optimisation (SEO) and search engine marketing (SEM) to make marketing a lot more data-driven. Similarly, in music the magic of maths plays a huge role.


Green Dreams: Agilyx and GE Enter Agreement to Advance the Circular Economy for Plastics

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Imagine a world where plastic materials would never go to waste. Agilyx Corporation ("Agilyx"), the leader in chemical recycling of post-use plastics back into plastics chemicals and low carbon fuels, today announced a dynamic collaboration in artificial intelligence (AI) technology with the General Electric Company through its Licensing business unit that would bring the world closer than ever to making this green dream possible. Combining Agilyx's deep domain experience in chemical recycling with GE's vast experience in the application of Industrial AI, the two companies are aiming to increase the chemical recyclability of all post-use plastics from the current 10% to over 95%. This announcement is the result of a year-long, successful effort to assess GE's advanced modeling technology developed by GE Research, and its applicability to the database of chemical conversions of post-use plastics that Agilyx has amassed over the last 15 years. Together, the companies can greatly improve recycling rates by deploying an innovative set of artificial intelligence ("AI") technologies, including machine learning ("ML"), predictive modeling ("PM") and optimization tools, in combination with other supply chain innovations in partnership with a growing number of diverse leaders in the waste and recycling, petrochemical, consumer goods products and retail industries.


CMU becomes go-to place for machine learning in catalysis research

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Many a middle school science teacher has dripped a few drops of potassium iodide into hydrogen peroxide and watched the delight of their students as a volcano of foam erupted from the container. This experiment is often the way young people first learn about catalysts as something that that can induce a chemical reaction. But catalysts can make more than foam. As those young people grow into young scientists, they learn that catalysis--the acceleration of a chemical reaction by a catalyst--is a key process in the creation of just about everything. From the plastics that make up our medical equipment, to the gasoline in our cars, to the paint that colors our homes--none of these could exist without catalysts.