Inverse Design

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17 papers in the last four weeks, up 13% on the four weeks before. 0.1% of all new papers.

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  1. Deep Learning-Driven Black-Box Doherty Power Amplifier with Pixelated Output Combiner and Extended Efficiency Range

    Mar 17, 2026Han Zhou, Haojie Chang, David WidenNeural Surrogate ModelingInverse Design

    Tampere University, 33720 Tampere, Finland · Chalmers University of Technology, 41296 Gothenburg, Sweden

  2. Generative Inverse Design with Abstention via Diagonal Flow Matching

    Mar 16, 2026Miguel de Campos, Werner Krebs, Hanno GottschalkFlow MatchingUncertainty Quantification

    Institute of Mathematics, TU Berlin · Siemens Energy

  3. Generative Inverse Design of Cold Metals for Low-Power Electronics

    Mar 14, 2026Kedeng Wu, Yucheng Zhu, Yan Chen +6Inverse DesignScientific Discovery

    School of Chemical Engineering, Northwest University, Xi'an 710127, China · Laboratory for Multiscale Mechanics and Medical Science, SV LAB, School of Aerospace, Xi'an Jiaotong University, Xi'an 710049, China · Wu Jieh Yee School of Interdisciplinary Studies, Lingnan University, Tuen Mun, Hong Kong SAR, China +1

  4. SciDesignBench: Benchmarking and Improving Language Models for Scientific Inverse Design

    Mar 13, 2026David van Dijk, Ivan VrkicInverse DesignLarge Language Model-Guided Optimization

    CellType Inc.

  5. Multi-Agent Collaboration for Automated Design Exploration on High Performance Computing Systems

    Mar 12, 2026Harshitha Menon, Charles F. Jekel, Kevin Korner +15AI Agents for Scientific DiscoveryMulti-Agent LLM Systems

    Lawrence Livermore National Laboratory, Livermore, CA, USA · Sandia National Laboratories, Albuquerque, NM, USA · Los Alamos National Laboratory, Los Alamos, NM, USA +1

  6. From Phase Prediction to Phase Design: A ReAct Agent Framework for High-Entropy Alloy Discovery

    Mar 10, 2026Iman Peivaste, Salim BelouettarInverse DesignMaterials Science

    Luxembourg Institute of Science and Technology (LIST), 5, Avenue des Hauts-Fourneaux, Esch-sur-Alzette, 4362, Luxembourg · Department of Physics and Materials Science, University of Luxembourg, L-4365 Esch-sur-Alzette, Luxembourg

  7. Escaping the Hydrolysis Trap: An Agentic Workflow for Inverse Design of Durable Photocatalytic Covalent Organic Frameworks

    Mar 5, 2026Iman Peivaste, Nicolas D. Boscher, Ahmed Makradi +1Materials ScienceInverse Design

    Luxembourg Institute of Science and Technology (LIST), 5, Avenue des Hauts-Fourneaux, Esch-sur-Alzette, 4362, Luxembourg · Department of Physics and Materials Science, University of Luxembourg, L-4365 Esch-sur-Alzette, Luxembourg

  8. Pushing the Limits of Inverse Lithography with Generative Reinforcement Learning

    Feb 22, 2026Haoyu Yang, Haoxing RenInverse Design

    NVIDIA Corp. Austin, TX, USA

  9. Gradient-Informed Bayesian and Interior Point Optimization for Efficient Inverse Design in Nanophotonics

    Feb 20, 2026Yannik Mahlau, Yannick Augenstein, Tyler W. Hughes +2Inverse DesignSurrogate-Assisted Optimization

    Institute of Information Processing, Leibniz University Hannover, Germany · Flexcompute, Watertown, MA, USA · Institute of Artificial Intelligence, Leibniz University Hannover, Germany +1

  10. Factorization Machine with Quadratic-Optimization Annealing for RNA Inverse Folding and Evaluation of Binary-Integer Encoding and Nucleotide Assignment

    Feb 18, 2026Shuta Kikuchi, Shu TanakaInverse DesignBlack-Box Optimization

    Graduate School of Science and Technology, Keio University, Yokohama, Kanagawa 223-8522, Japan · Keio University Sustainable Quantum Artificial Intelligence Center (KSQAIC), Keio University, Minato-ku, Tokyo 108-8345, Japan · Department of Applied Physics and Physico-Informatics, Keio University, Yokohama, Kanagawa 223-8522, Japan +1

  11. RIDER: 3D RNA Inverse Design with Reinforcement Learning-Guided Diffusion

    Feb 18, 2026Tianmeng Hu, Yongzheng Cui, Biao Luo +1Inverse Design3D Diffusion Models

    University of Exeter · Central South University

  12. Guided Diffusion by Optimized Loss Functions on Relaxed Parameters for Inverse Material Design

    Feb 17, 2026Jens U. Kreber, Christian Weißenfels, Joerg StuecklerInverse DesignInverse Problems

    Intelligent Perception in Technical Systems Group, University of Augsburg, Germany · Faculty of Mathematics, Natural Science and Engineering, University of Augsburg, Germany · Centre for Advanced Analytics and Predictive Sciences, University of Augsburg, Germany

  13. GenPANIS: A Latent-Variable Generative Framework for Forward and Inverse PDE Problems in Multiphase Media

    Feb 16, 2026Matthaios Chatzopoulos, Phaedon-Stelios KoutsourelakisPDE Inverse ProblemsPhysics-Informed Generative Modeling

    Technical University of Munich, Professorship of Data-driven Materials Modeling, School of Engineering and Design, Boltzmannstr. 15, 85748 Garching, Germany · Munich Data Science Institute (MDSI - Core member), Garching, Germany

  14. ProteinZero: Self-Improving Protein Generation via Online Reinforcement Learning

    Jun 9, 2025Ziwen Wang, Jiajun Fan, Ruihan Guo +3Protein Language ModelsMolecular Generation

    Siebel School of Computing and Data Science, University of Illinois Urbana-Champaign, Urbana, IL, USA · DOE Center for Advanced Bioenergy and Bioproducts Innovation, University of Illinois Urbana-Champaign, Urbana, IL, USA