Goto

Collaborating Authors

 Country


Multi-View Graph Neural Networks for Molecular Property Prediction

arXiv.org Machine Learning

The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through Graph Neural Networks (GNNs). It is well known that both atoms and bonds significantly affect the chemical properties of a molecule, so an expressive model shall be able to exploit both node (atom) and edge (bond) information simultaneously. Guided by this observation, we present Multi-View Graph Neural Network (MV-GNN), a multi-view message passing architecture to enable more accurate predictions of molecular properties. In MV-GNN, we introduce a shared self-attentive readout component and disagreement loss to stabilize the training process. This readout component also renders the whole architecture interpretable. We further boost the expressive power of MV-GNN by proposing a cross-dependent message passing scheme that enhances information communication of the two views, which results in the MV-GNN^cross variant. Lastly, we theoretically justify the expressiveness of the two proposed models in terms of distinguishing non-isomorphism graphs. Extensive experiments demonstrate that MV-GNN models achieve remarkably superior performance over the state-of-the-art models on a variety of challenging benchmarks. Meanwhile, visualization results of the node importance are consistent with prior knowledge, which confirms the interpretability power of MV-GNN models.


Recurrent Sum-Product-Max Networks for Decision Making in Perfectly-Observed Environments

arXiv.org Artificial Intelligence

Recent investigations into sum-product-max networks (SPMN) that generalize sum-product networks (SPN) offer a data-driven alternative for decision making, which has predominantly relied on handcrafted models. SPMNs computationally represent a probabilistic decision-making problem whose solution scales linearly in the size of the network. However, SPMNs are not well suited for sequential decision making over multiple time steps. In this paper, we present recurrent SPMNs (RSPMN) that learn from and model decision-making data over time. RSPMNs utilize a template network that is unfolded as needed depending on the length of the data sequence. This is significant as RSPMNs not only inherit the benefits of SPMNs in being data driven and mostly tractable, they are also well suited for sequential problems. We establish conditions on the template network, which guarantee that the resulting SPMN is valid, and present a structure learning algorithm to learn a sound template network. We demonstrate that the RSPMNs learned on a testbed of sequential decision-making data sets generate MEUs and policies that are close to the optimal on perfectly-observed domains. They easily improve on a recent batch-constrained reinforcement learning method, which is important because RSPMNs offer a new model-based approach to offline reinforcement learning.


Optimal Allocation of Real-Time-Bidding and Direct Campaigns

arXiv.org Artificial Intelligence

In this paper, we consider the problem of optimizing the revenue a web publisher gets through real-time bidding (i.e. from ads sold in real-time auctions) and direct (i.e. from ads sold through contracts agreed in advance). We consider a setting where the publisher is able to bid in the real-time bidding auction for each impression. If it wins the auction, it chooses a direct campaign to deliver and displays the corresponding ad. This paper presents an algorithm to build an optimal strategy for the publisher to deliver its direct campaigns while maximizing its real-time bidding revenue. The optimal strategy gives a formula to determine the publisher bid as well as a way to choose the direct campaign being delivered if the publisher bidder wins the auction, depending on the impression characteristics. The optimal strategy can be estimated on past auctions data. The algorithm scales with the number of campaigns and the size of the dataset. This is a very important feature, as in practice a publisher may have thousands of active direct campaigns at the same time and would like to estimate an optimal strategy on billions of auctions. The algorithm is a key component of a system which is being developed, and which will be deployed on thousands of web publishers worldwide, helping them to serve efficiently billions of ads a day to hundreds of millions of visitors.


Amazon Bans Police Use of Its Face Recognition for a Year

U.S. News

"Amazon's decision is an important symbolic step, but this doesn't really change the face recognition landscape in the United States since it's not a major player," said Clare Garvie, a researcher at Georgetown University's Center on Privacy and Technology. Her public records research found only two U.S. agencies using or testing Rekognition. The Washington County Sheriff's Office in Oregon has been the most public about using it. The Orlando police department tested it, but chose not to implement it, she said.


Seeing Results From AI, Even During Covid-19 Recession

#artificialintelligence

New York has always been known as the city that never sleeps. In this crisis time, this definition has never been clearer. Citizens of NYC have been subjected to the stress of Coronavirus pressures, which have hit Americans with fatigue and feelings of hopelessness as a result of our grim economic situation. NYC continues to fight back and be resilient, combating the crisis situation with innovative companies like IPsoft that provide unique AI solutions for clients. By leveraging AI solutions, we can bring America back to its former glory, and instead transform the cause of sleepless nights from recession anxiety to the exhaustion of a memorable night out in the city that never sleeps.


AI uses data from Oura wearables to predict COVID-19 three days early

#artificialintelligence

Researchers have successfully used AI to analyse data from Oura's wearable rings and predict COVID-19 symptoms three days early. The researchers, from WVU Medicine and the Rockefeller Neuroscience Institute, first announced the potentially groundbreaking project in April. At the time, the researchers found they could predict COVID-19 symptoms โ€“ including fever, cough, and fatigue โ€“ up to 24 hours before their onset. "The holistic and integrated neuroscience platform developed by the RNI continuously monitors the human operating system, which allows for the accurate prediction of the onset of viral infection symptoms associated with COVID-19," said Ali Rezai, M.D., executive chair of the WVU Rockefeller Neuroscience Institute. "We feel this platform will be integral to protecting our healthcare workers, first responders, and communities as we adjust to life in the COVID-19 era."


From counting with stones to artificial intelligence: the story of calculus

#artificialintelligence

Isaac Newton (left) and Gottfried Wilhelm Leibniz each independently invented calculus.Credit: Left, DeAgostini/Getty; Right, Lombard/ullstein bild via Getty Midway through Infinite Powers, Steven Strogatz writes that Isaac Newton and Gottfried Wilhelm Leibniz both "died in excruciating pain while suffering from calculi -- a bladder stone for Newton, a kidney stone for Leibniz". It was a cruelly ironic end for the scientists who independently invented calculus: the word comes from the Latin for'small stone', in reference to pebbles once used for counting. Such fascinating anecdotes abound in Infinite Powers. Strogatz, a mathematician working in nonlinear dynamics and complex systems, has written a romp through the history of calculus -- the study of how things change. Starting with the ancient Greeks, the book ends with connections between the field and artificial intelligence and machine learning. Calculus was key to working with Newton's laws of motion, which stimulated the Industrial Revolution.


What makes AI algorithms dangerous?

#artificialintelligence

Welcome to AI book reviews, a series of posts that explore the latest literature on artificial intelligence. When discussing the threats of artificial intelligence, the first thing that comes to mind are images of Skynet, The Matrix, and the robot apocalypse. The runner up is technological unemployment, the vision of a foreseeable future in which AI algorithms take over all jobs and push humans into a struggle for meaningless survival in a world where human labor is no longer needed. Whether any or both of those threats are real is hotly debated among scientists and thought leaders. But AI algorithms also pose more imminent threats that exist today, in ways that are less conspicuous and hardly understood.


Do neural networks need rest like human brains to perform well? - Sci-n-Tech

#artificialintelligence

Androids may or may not have to count digital sheep to catch a wink, but they will almost certainly need periods of rest to perform consistently. The reason: When rested, neural networks perform better, similar to how human brains benefit from sleep. This is the hypothesis of a new research from Los Alamos National Laboratory. "We study spiking neural networks, which are systems that learn much as living brains do," said Los Alamos National Laboratory computer scientist Yijing Watkins. "We were fascinated by the prospect of training a neuromorphic processor in a manner analogous to how humans and other biological systems learn from their environment during childhood development."


Council Post: Artificial Intelligence In Education Transformation

#artificialintelligence

Founder and CEO at Fusemachines, an AI Education and AI Talent Solution provider based in NYC. The transition to online learning due to COVID-19 has exposed significant gaps in our school systems. While there have been many technological advancements in the past decade, the education industry has been slower to adapt. Education institutions now have the opportunity to explore the potential of learning supported by artificial intelligence. There are many social and economic factors that shape learning environments.