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The Role of Absorption in Three-Dimensional Electron Diffraction Dynamical Structure Refinement
The role of absorption in 3D electron diffraction is established through analytical theory, simulation, and dynamical refinement. A …
Benjamin Colmey, Tiarnan A.S. Doherty, Shreshth A Malik, Paul A. Midgley
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MADE: Benchmark Environments for Closed-Loop Materials Discovery
Existing benchmarks for computational materials discovery primarily evaluate static predictive tasks or isolated computational …
Shreshth A Malik, Tiarnan Doherty, Panagiotis Tigas, Muhammed Razzak, Stephen J. Roberts, Aron Walsh, Yarin Gal
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Hybrid Physics-Machine Learning Models for Quantitative Electron Diffraction Refinements
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: …
Shreshth A Malik, Tiarnan A.S. Doherty, Benjamin Colmey, Stephen J. Roberts, Yarin Gal, Paul A. Midgley
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Semantic Entropy Probes: Robust and Cheap Hallucination Detection in LLMs
We propose semantic entropy probes (SEPs), a cheap and reliable method for uncertainty quantification in Large Language Models (LLMs). …
Jannik Kossen, Jiatong Han, Muhammed Razzak, Lisa Schut, Shreshth Malik, Yarin Gal
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High-Cadence Thermospheric Density Estimation enabled by Machine Learning on Solar Imagery
Accurate estimation of thermospheric density is critical for precise modeling of satellite drag forces in low Earth orbit (LEO). …
Shreshth A Malik, James Walsh*, Giacomo Acciarini, Thomas E. Berger, Atilim Gunes Baydin
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BatchGFN: Generative Flow Networks for Batch Active Learning
We introduce BatchGFN—a novel approach for pool-based active learning that uses generative flow networks to sample sets of data …
Shreshth A Malik, Salem Lahlou, Andrew Jesson, Moksh Jain, Nikolay Malkin, Tristan Deleu, Yoshua Bengio, Yarin Gal
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Discovering Long-period Exoplanets using Deep Learning with Citizen Science Labels
Automated planetary transit detection has become vital to prioritize candidates for expert analysis given the scale of modern …
Shreshth A Malik, Nora L Eisner, Chris J Lintott, Yarin Gal
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Multi-Modal Fusion by Meta-Initialization
When experience is scarce, models may have insufficient information to adapt to a new task. In this case, auxiliary information - such …
Matthew T Jackson*, Shreshth A Malik, Michael T Matthews, Yousuf Mohamed-Ahmed
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