People are using smart computers to make new medicines. These computers can look at tiny parts of medicine and guess how they work. They can also make new medicines that might help people feel better. First, the computers learn about medicines. They look at how medicines are built. Then, they guess
Time-based networks, like social media or online shopping platforms, show how connections change over time. Lately, scientists have focused on creating better models to understand these networks. But there's a catch: they haven't paid much attention to the quality of the "wrong" examples used to tra
Personalized marketing is all the rage these days. It is the key to helping users find exactly what they are looking for, quickly and easily. But traditional recommendation systems have their limits. They struggle with complex user behaviors and sparse data. This makes it hard to understand the rela
Water is a superstar in the world of chemistry. It's everywhere, and it's great at breaking down molecules in a process called hydrolysis. This happens all the time in nature and in labs. But predicting how water will react with different substances is tricky. Small changes in a molecule can make a
Uniform point sets are essential in many fields. They are used in experiments, graphics, and finance. These sets need to have low discrepancy, which means the points are spread out evenly. Recent studies have shown that using Graph Neural Networks and optimization can create point sets with much low
Chemicals can be harmful to the environment, but testing each one is a slow process. Scientists have found a way to speed this up using something called graph neural networks (GNNs). These networks can predict how harmful a chemical might be to tiny microbes called nitrifiers. These microbes are imp
Cities around the world have unique road layouts. These layouts can be compared using a new method. This method uses AI to measure how different these layouts are. This is a big deal because traditional methods of comparison have strict limits. These limits make it hard to see the true differenc
Imagine trying to guess how busy a city street will be in an hour. It's not just about looking at past traffic data. You also need to think about things like the weather and what's happening nearby. Most methods out there only look at past traffic data for short periods. But what if we could use mor
Metal complexes, like transition metal complexes and metal-organic frameworks, are super important in fields like catalysis, materials science, and creating tiny molecular devices. This is because they have a unique central metal atom and a complex structure around it. But, predicting how these comp
Additive manufacturing (AM) has revolutionized the creation of customized materials with unique properties. It's not just about shapes anymore; now, we can mix different materials in AM to make stuff with even more special features. So far, using machine learning to design these materials has mainly
