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Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models

arXiv.org Machine Learning

We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic molecules with up to 14 heavy atoms, sampled from the GDB MedChem database. The Alchemy dataset expands the volume and diversity of existing molecular datasets. Our extensive benchmarks of the state-of-the-art graph neural network models on Alchemy clearly manifest the usefulness of new data in validating and developing machine learning models for chemistry and material science. We further launch a contest to attract attentions from researchers in the related fields. More details can be found on the contest website \footnote{https://alchemy.tencent.com}. At the time of benchamrking experiment, we have generated 119,487 molecules in our Alchemy dataset. More molecular samples are generated since then. Hence, we provide a list of molecules used in the reported benchmarks.


Ford turns more than 650MILLION 500ml plastic bottles into carpet for some of its vehicles

Daily Mail - Science & tech

Ford is recycling over one billion plastic bottles every year to develop elements of he car's interior, reducing the amount of plastic ending up in a landfill. The American car maker has revealed that their Romanian-built EcoSport SUVs' carpets are made using 470 single-use bottles from recycled plastic bottles. The combined weight is said to weigh an estimated 8,262 metric tons and, if they were laid end to end, would stretch more than twice around the world, they said. Plastic fantastic: Ford has revealed that its EcoSport SUV features carpets that are made from recycled plastic bottles. According to the United Nations Environmental Agency, the world produces around 300 million tons of plastic each year, half of which is single-use items.


Here are 10 ways AI could help fight climate change

#artificialintelligence

Much of modern-day agriculture is dominated by monoculture, the practice of producing a single crop on a large swath of land. This approach makes it easier for farmers to manage their fields with tractors and other basic automated tools, but it also strips the soil of nutrients and reduces its productivity. As a result, many farmers rely heavily on nitrogen-based fertilizers, which can convert into nitrous oxide, a greenhouse gas 300 times more potent than carbon dioxide. Robots run on machine-learning software could help farmers manage a mix of crops more effectively at scale, while algorithms could help farmers predict what crops to plant when, regenerating the health of their land and reducing the need for fertilizers.


Jeff Bezos says Blue Origin lunar lander could refuel using ICE from the moon

Daily Mail - Science & tech

Once billionaire Jeff Bezos' Blue Origin lander makes it to the moon, the Amazon CEO says it won't have to go very far to re-fuel. In a space summit in Boston, Bezos told an audience that his somewhat mysterious moon lander will use ice harvested from the lunar surface to create fuel. 'We know things about the moon now we didn't know about during the Apollo days,' Bezos said at the conference as reported by CNBC. 'We can harvest that ice and use to make hydrogen and oxygen, which are rocket propellants.' Jeff Bezos says a recently discovered trove of water and ice in the moon's surface could fuel a lunar lander owned by his company Blue Origin.


When AI meets IIoT, it means more profits to your company

#artificialintelligence

AI is getting smarter, requiring less training data and moving from cloud to Edge. Finnish AI startups gathered last week in Business Finland's Customer Club to share relevant information for intelligent industry and to check the latest state of the art of AI solutions for industrial use. There are plenty of small, young Finnish companies that have created money saving and innovative AI solutions especially for pulp and paper industry, mining companies and oil refineries that are strong businesses in Finland. Possibilities for different profitable applications are numerous with solutions that combine the use of cloud and edge in storing and analyzing data. All data from industrial machines cannot be moved to the cloud because there is typically just too much data or the latency requirements don't allow it.


Summit Achieves 445 Petaflops on New 'HPL-AI' Benchmark

#artificialintelligence

Traditionally, supercomputer performance is measured using the High-Performance Linpack (HPL) benchmark, which is the basis for the Top500 list that biannually ranks world's fastest supercomputers. The Linpack benchmark tests a supercomputer's ability to conduct high-performance tasks (like simulations) that use double-precision math. On June's Top500 list, announced Monday, Summit's 148 Linpack petaflops land it first place by a comfortable margin. Using that same machine configuration, Oak Ridge National Laboratory (ORNL) and Nvidia have tested Summit on HPL-AI and gotten a result of 445 petaflops. While the HPL benchmark tests supercomputers' performance in double-precision math, AI is a rapidly growing use case for supercomputers -- and most AI models use mixed-precision math.


Amazon's next big thing may redefine big

#artificialintelligence

"I see Amazon as a technology company that just happened to do retail," begins Werner Vogels, Amazon's chief technology officer. "When Jeff [Bezos] started Amazon, he wasn't thinking about starting a bookshop. He was really fascinated by the internet." Only "mortal humans", he tells me in an interview, ever saw Amazon as merely a retailer. So the question now is: what will Amazon become next?


NASA is investing in technology that could help mine asteroids and the moon for precious resources

Daily Mail - Science & tech

NASA says its presence on the moon won't just be for show. With new technology, the agency hopes to mine natural resources on the lunar surface as well as reachable asteroids. Through NASA's Innovative Advanced Concepts (NIAC) program, the agency said it will begin to explore the feasibility of robotic rovers and mining technology that could make space mining a reality. To do so, it has green-lit two mission concepts this month. NASA wants to get a jump-start on mining in space with a tandem of proposals that would develop future technology.


The Universe of Iteration - The T ngler

#artificialintelligence

The scientist from the 1950s has proven how amino acid building blocks can emerge from nothing, so to speak. All it takes is methane, ammonia, water, hydrogen, and electricity, in a certain mixture, at certain temperatures, time and iterations. What was it like 4 billion years ago, when the first amino acids decided to join together to form living cells? The first unicellular organisms formed 100% of the known life in the Precambrian age and for what it's worth, all the following life as well. Stromatolites can still be found today, in shelf areas, always formed by so-called cyanobacteria, which are able to produce oxygen.


Tackling Climate Change with Machine Learning

arXiv.org Artificial Intelligence

Climate change is one of the greatest challenges facing humanity, and we, as machine learning experts, may wonder how we can help. Here we describe how machine learning can be a powerful tool in reducing greenhouse gas emissions and helping society adapt to a changing climate. From smart grids to disaster management, we identify high impact problems where existing gaps can be filled by machine learning, in collaboration with other fields. Our recommendations encompass exciting research questions as well as promising business opportunities. We call on the machine learning community to join the global effort against climate change.