Deep learning in protein structural modeling and design
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and
powerful computational resources, impacting many fields, including protein structural …
powerful computational resources, impacting many fields, including protein structural …
MLCAD: A survey of research in machine learning for CAD keynote paper
Due to the increasing size of integrated circuits (ICs), their design and optimization phases
(ie, computer-aided design, CAD) grow increasingly complex. At design time, a large design …
(ie, computer-aided design, CAD) grow increasingly complex. At design time, a large design …
Is conditional generative modeling all you need for decision-making?
Recent improvements in conditional generative modeling have made it possible to generate
high-quality images from language descriptions alone. We investigate whether these …
high-quality images from language descriptions alone. We investigate whether these …
Autonomous navigation of stratospheric balloons using reinforcement learning
Efficiently navigating a superpressure balloon in the stratosphere requires the integration of
a multitude of cues, such as wind speed and solar elevation, and the process is complicated …
a multitude of cues, such as wind speed and solar elevation, and the process is complicated …
Benchmarking graph neural networks
In the last few years, graph neural networks (GNNs) have become the standard toolkit for
analyzing and learning from data on graphs. This emerging field has witnessed an extensive …
analyzing and learning from data on graphs. This emerging field has witnessed an extensive …
Physics-informed machine learning: A survey on problems, methods and applications
Recent advances of data-driven machine learning have revolutionized fields like computer
vision, reinforcement learning, and many scientific and engineering domains. In many real …
vision, reinforcement learning, and many scientific and engineering domains. In many real …
Kohn-Sham equations as regularizer: Building prior knowledge into machine-learned physics
Including prior knowledge is important for effective machine learning models in physics and
is usually achieved by explicitly adding loss terms or constraints on model architectures …
is usually achieved by explicitly adding loss terms or constraints on model architectures …
Learning collaborative policies to solve np-hard routing problems
Recently, deep reinforcement learning (DRL) frameworks have shown potential for solving
NP-hard routing problems such as the traveling salesman problem (TSP) without problem …
NP-hard routing problems such as the traveling salesman problem (TSP) without problem …
Quantum circuit optimization with deep reinforcement learning
A central aspect for operating future quantum computers is quantum circuit optimization, ie,
the search for efficient realizations of quantum algorithms given the device capabilities. In …
the search for efficient realizations of quantum algorithms given the device capabilities. In …
Conservative objective models for effective offline model-based optimization
In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where
the goal is to find a design input that maximizes an unknown objective function provided …
the goal is to find a design input that maximizes an unknown objective function provided …