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A free tutorial book from NSF Cybertraining C2D: Cybertraining for Chemical Data scientists
Published 2025“…In the following chapters, 4 through 9, we focus on specific chemical tasks, dedicating each chapter to solving a distinct problem using these machine learning techniques, including molecular property prediction, molecular optimization, reaction outcome prediction, retrosynthesis, yield prediction and Large Language Models (LLMs) for Chemistry. …”
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Complex Eigenvalues, Orthogonality, and QR Factorization: Analytical Proofs and Numerical Verification
Published 2025“…These results are then validated through computational experiments using Python with the NumPy and SciPy libraries.</p><p dir="ltr">Key computational techniques include:</p><ol><li>Eigenvalue and Eigenvector Computation: Generation of random Hermitian matrices and computation of their eigenvalues and eigenvectors. …”
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Overview of generalized weighted averages.
Published 2025“…GWA-UCB1 outperformed G-UCB1, UCB1-Tuned, and Thompson sampling in most problem settings and can be useful in many situations. …”
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Instance segmentation benchmarking results.
Published 2025“…<div><p>Time-lapse microscopy has long been used to record cell lineage trees. Successful construction of a lineage tree requires tracking and preserving the identity of multiple cells across many images. …”
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Training details of the trackers.
Published 2025“…<div><p>Time-lapse microscopy has long been used to record cell lineage trees. Successful construction of a lineage tree requires tracking and preserving the identity of multiple cells across many images. …”
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Mesh Division Schematic Diagram.
Published 2025“…<div><p>Using recycled coarse aggregates (RCA) to prepare asphalt mixtures can reduce the consumption of natural sand and gravel resources and solve the environmental pollution problem caused by waste asphalt concrete materials. …”
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Distribution of Splitting Test Loaders.
Published 2025“…<div><p>Using recycled coarse aggregates (RCA) to prepare asphalt mixtures can reduce the consumption of natural sand and gravel resources and solve the environmental pollution problem caused by waste asphalt concrete materials. …”
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Ultimate Failure Load.
Published 2025“…<div><p>Using recycled coarse aggregates (RCA) to prepare asphalt mixtures can reduce the consumption of natural sand and gravel resources and solve the environmental pollution problem caused by waste asphalt concrete materials. …”
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Distribution of loaders in the compressive test.
Published 2025“…<div><p>Using recycled coarse aggregates (RCA) to prepare asphalt mixtures can reduce the consumption of natural sand and gravel resources and solve the environmental pollution problem caused by waste asphalt concrete materials. …”
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Material Parameters.
Published 2025“…<div><p>Using recycled coarse aggregates (RCA) to prepare asphalt mixtures can reduce the consumption of natural sand and gravel resources and solve the environmental pollution problem caused by waste asphalt concrete materials. …”
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Flowchart of Random Aggregate Placement Process.
Published 2025“…<div><p>Using recycled coarse aggregates (RCA) to prepare asphalt mixtures can reduce the consumption of natural sand and gravel resources and solve the environmental pollution problem caused by waste asphalt concrete materials. …”
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Splitting Specimen Aggregate Placement Area.
Published 2025“…<div><p>Using recycled coarse aggregates (RCA) to prepare asphalt mixtures can reduce the consumption of natural sand and gravel resources and solve the environmental pollution problem caused by waste asphalt concrete materials. …”