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Deep learning (DL) has revolutionized many fields such as materials design and protein folding. Recent studies have demonstrated the advantages of DL in the inverse design of structural colors, by effectively learning the complex nonlinear…

Optics · Physics 2026-05-22 Sichao Shan , Han Ye , Zhengmei Yang , Junpeng Hou , Zhitong Li

Machine learning (ML) and AI toolboxes such as scikit-learn or Weka are workhorses of contemporary data scientific practice -- their central role being enabled by usable yet powerful designs that allow to easily specify, train and validate…

Software Engineering · Computer Science 2021-01-14 Franz J. Király , Markus Löning , Anthony Blaom , Ahmed Guecioueur , Raphael Sonabend

A computationally-fast inverse design method for nanophotonic structures is presented. The method is based on two complementary convex optimization problems which modify the dielectric structure and resonant field respectively. The design…

Optics · Physics 2009-12-23 Jesse Lu , Jelena Vuckovic

The human brain has immense learning capabilities at extreme energy efficiencies and scale that no artificial system has been able to match. For decades, reverse engineering the brain has been one of the top priorities of science and…

Large scale parameter estimation problems are among some of the most computationally demanding problems in numerical analysis. An academic researcher's domain-specific knowledge often precludes that of software design, which results in…

Mathematical Software · Computer Science 2017-04-05 Curt Da Silva , Felix J. Herrmann

Nanophotonic technologies inherently rely on tailoring light-matter interactions through the excitation and interference of deeply confined optical resonances. However, existing concepts in optical mode engineering remain heuristic and are…

Topic models have a rich history with various applications and have recently been reinvigorated by neural topic modeling. However, these numerous topic models adopt totally distinct datasets, implementations, and evaluations. This impedes…

Computation and Language · Computer Science 2024-06-17 Xiaobao Wu , Fengjun Pan , Anh Tuan Luu

Tool learning aims to augment large language models (LLMs) with diverse tools, enabling them to act as agents for solving practical tasks. Due to the limited context length of tool-using LLMs, adopting information retrieval (IR) models to…

Computation and Language · Computer Science 2025-05-27 Zhengliang Shi , Yuhan Wang , Lingyong Yan , Pengjie Ren , Shuaiqiang Wang , Dawei Yin , Zhaochun Ren

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial-and-error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence (AI), have…

The inverse design of photonic integrated circuits (PICs) presents distinctive computational challenges, including their large memory requirements. Advancements in the two-photon polymerization (2PP) fabrication process introduce additional…

Nanophotonics finds ever broadening applications requiring complex component designs with a large number of parameters to be simultaneously optimized. Recent methodologies employing optimization algorithms commonly focus on a single design…

Chemical synthesis remains a critical bottleneck in the discovery and manufacture of functional small molecules. AI-based synthesis planning models could be a potential remedy to find effective syntheses, and have made progress in recent…

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

By co-designing a meta-optical front end in conjunction with an image-processing back end, we demonstrate noise sensitivity and compactness substantially superior to either an optics-only or a computation-only approach, illustrated by two…

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable…

Materials Science · Physics 2021-06-08 Victor Fung , Jiaxin Zhang , Guoxiang Hu , P. Ganesh , Bobby G. Sumpter

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Lyle Regenwetter , Yazan Abu Obaideh , Fabien Chiotti , Ioanna Lykourentzou , Faez Ahmed

Singlet fission has emerged as one of the most exciting phenomena known to improve the efficiencies of different types of solar cells and has found uses in diverse optoelectronic applications. The range of available singlet fission…

We explore ideas and inclusive practices for designing and testing child-centered artificially intelligent technologies for neurodivergent children. AI is promising for supporting social communication, self-regulation, and sensory…

Human-Computer Interaction · Computer Science 2024-04-10 Emani Dotch , Vitica Arnold

Discovering new physical products and processes often demands enormous experimentation and expensive simulation. To design a new product with certain target characteristics, an extensive search is performed in the design space by trying out…

Machine Learning · Statistics 2018-11-16 Phuoc Nguyen , Truyen Tran , Sunil Gupta , Santu Rana , Svetha Venkatesh

Metasurfaces is an emerging field that enables the manipulation of light by an ultra-thin structure composed of sub-wavelength antennae and fulfills an important requirement for miniaturized optical elements. Finding a new design for a…

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