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Conditional PED-ANOVA: Hyperparameter Importance in Hierarchical & Dynamic Search Spaces

arXiv:2601.20800v3 Announce Type: replace Abstract: We propose conditional PED-ANOVA (condPED-ANOVA), a principled framework for estimating hyperparameter importance (HPI) in conditional search spaces, where the presence or domain of a hyperparameter can depend on other hyperparameters. Although the original PED-ANOVA provides a fast and efficient way to estimate HPI within the top-performing regions of the search space, it assumes a fixed, unconditional search space and therefore cannot...

arXiv CS 6d ago

Physics Enhanced Deep Surrogates for the Phonon Boltzmann Transport Equation

arXiv:2512.05976v3 Announce Type: replace-cross Abstract: Designing materials with controlled heat flow at the nano-scale is central to advances in microelectronics, thermoelectrics, and energy-conversion technologies. At these scales, phonon transport follows the Boltzmann Transport Equation (BTE), which captures non-diffusive (ballistic) effects but is too costly to solve repeatedly in inverse-design loops. Existing surrogate approaches trade speed for accuracy: fast macroscopic solvers...

arXiv CS 9d ago

Advancing Ligand-based Virtual Screening and Molecular Generation with Pretrained Molecular Embedding Distance

arXiv:2604.24474v2 Announce Type: replace Abstract: Molecular similarity plays a central role in ligand-based drug discovery, such as virtual screening, analog searching, and goal-directed molecular generation. However, traditional similarity measures, ranging from fingerprint-based Tanimoto coefficients to 3D shape overlays, are often computationally expensive at scale or rely on hand-crafted molecular descriptors. Meanwhile, many deep learning approaches to similarity-aware design still...

arXiv CS 1d ago

Physics Enhanced Deep Surrogates for the Phonon Boltzmann Transport Equation

arXiv:2512.05976v3 Announce Type: replace Abstract: Designing materials with controlled heat flow at the nano-scale is central to advances in microelectronics, thermoelectrics, and energy-conversion technologies. At these scales, phonon transport follows the Boltzmann Transport Equation (BTE), which captures non-diffusive (ballistic) effects but is too costly to solve repeatedly in inverse-design loops. Existing surrogate approaches trade speed for accuracy: fast macroscopic solvers can...

arXiv Physics 9d ago

UP’s green renaissance: A future where growth & nature will thrive

Today, the world is facing the unprecedented challenge of climate change. Rising global temperatures, erratic monsoons, drying rivers, declining groundwater resources, air pollution, and the loss of biodiversity have emerged as serious threats to human life, economic prosperity, and social stability. Floods, droughts, heatwaves, and other extreme weather events are becoming increasingly frequent across different parts of the world.

Times of India 6d ago

Costa backs simpler EU accession rules ahead of Western Balkans summit

Council chief calls for the EU's enlargement rules to be "streamlined" by removing the need for unanimity at each stage of the process, framing the shift towards the Balkans as pivotal for Europe’s stability. European Council President António Costa endorsed a simplification of the EU’s rules on accepting new members, saying the bloc needs to "accelerate" its enlargement to show Western Balkan partners it is "serious" about turning their EU ambitions into a reality. Speaking exclusively to...

Euronews 5d ago

Conviction of Aussie band's 'sixth member' reveals Byron Bay's dark side

Women reveal Byron Bay's predatory 2000s culture of rape, humiliation and shame Mon 1 Jun 2026 at 6:01am The girl in the photo is smiling for the camera, her hair in a side ponytail, a trucker cap on her head. In another snap, she looks into the distance, standing in front of a stretch of palm trees with fronds glossy and green from the damp air of Byron Bay.

ABC Australia 10d ago