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- University of TorontoCA238 papers
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29 papers · 1 filter
Framework-agnostic Semantically-aware Global Reasoning for Segmentation
Mir Rayat Imtiaz Hossain, Leonid Sigal, James J. Little
Recent advances in pixel-level tasks (e.g. segmentation) illustrate the benefit of of long-range interactions between aggregated region-based representations that can enhance local…
Lifting to Parity Decision Trees Via Stifling
Arkadev Chattopadhyay, Nikhil S. Mande, Swagato Sanyal +1
We show that the deterministic decision tree complexity of a (partial) function or relation lifts to the deterministic parity decision tree (PDT) size complexity of the compose…
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation
R. A. Vargas-Hernández, K. Jorner, R. Pollice +1
Semi-empirical quantum chemistry has recently seen a renaissance with applications in high-throughput virtual screening and machine learning. The simplest semi-empirical model stil…
Characterising the Robustness of Reinforcement Learning for Continuous Control using Disturbance Injection
Catherine R. Glossop, Jacopo Panerati, Amrit Krishnan +2
In this study, we leverage the deliberate and systematic fault-injection capabilities of an open-source benchmark suite to perform a series of experiments on state-of-the-art deep…
Towards DMC accuracy across chemical space with scalable -QML
Bing Huang, O. Anatole von Lilienfeld, Jaron T. Krogel +1
In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by numer…
Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry
Po-Yu Kao, Ya-Chu Yang, Wei-Yin Chiang +8
De novo drug design with desired biological activities is crucial for developing novel therapeutics for patients. The drug development process is time and resource-consuming, and i…