Key papers

• AbBiBench: A Benchmark for Antibody Binding Affinity Maturation and Design (2025)
  Xinyan Zhao et al.
  6.80
• A brief review of the Deep BSDE method for solving high-dimensional partial differential equations (2025)
  Jiequn Han et al.
  6.53
• Biomedical Knowledge Graph: A Survey of Domains, Tasks, and Real-World Applications (2025)
  Yuxing Lu et al.
  4.71
• Spatiotemporal wall pressure forecast of a rectangular cylinder with physics-aware DeepU-Fourier neural network (2025)
  Junle Liu et al.
  4.58
• An AI-Driven Thermal-Fluid Testbed for Advanced Small Modular Reactors: Integration of Digital Twin and Large Language Models (2025)
  Doyeong Lim et al.
  4.53
• SplineNet: An Isogeometric Deep Learning Method for Complex Shells (2026)
  Shizhou Luo et al.
  4.39
• Knowledge-Constrained Shape Optimization with a Mixture-of-Experts Neural Operator for High-Confidence Design (2026)
  Wenhao Fan et al.
  4.39
• Cross-attention-based bipartite graph neural network for coupled nodal and elemental field prediction in large-deformation sheet material forming (2026)
  Yingxue Zhao et al.
  4.27
• Neural Operator-Based Surrogate Model for CFD:Helical Coil Steam Generator in Small Modular Reactor (2026)
  Minseo Lee et al.
  4.27
• Mechanistic Modeling of Lipid Nanoparticle Formation for the Delivery of Nucleic Acid Therapeutics (2024)
  Pavan K. Inguva et al.
  3.31
• Bubbleformer: Forecasting Boiling with Transformers (2025)
  Sheikh Md Shakeel Hassan et al.
  2.93
• Physics-Constrained Flow Matching: Sampling Generative Models with Hard Constraints (2025)
  Utkarsh Utkarsh et al.
  2.87
• Aligning Large Language Models and Geometric Deep Models for Protein Representation (2024)
  Dong Shu et al.
  2.54
• Neural Processes Maintain Calibrated Biomass Estimates Across Spatiotemporal Gaps and Disturbance (2026)
  Robin Young et al.
  1.83
• Generative Design for Direct-to-Chip Liquid Cooling for Data Centers (2026)
  Zheng Liu
  1.83
• Neural Operator Representation of Granular Micromechanics-based Failure Envelope (2026)
  Jinkyo Han et al.
  1.83
• Calibrating Scientific Foundation Models with Inference-Time Stochastic Attention (2026)
  Akash Yadav and Taiwo A. Adebiyi and Ruda Zhang
  1.83
• Tau-BNO: Brain Neural Operator for Tau Transport Model (2026)
  Nuutti Barron et al.
  1.78
• Multifidelity Surrogate Modeling of Depressurized Loss of Forced Cooling in High-temperature Gas Reactors (2026)
  Meredith Eaheart et al.
  1.78
• Geometric and Topological Deep Learning for Predicting Thermo-mechanical Performance in Cold Spray Deposition Process Modeling (2026)
  Akshansh Mishra
  1.78
• SLE-FNO: Single-Layer Extensions for Task-Agnostic Continual Learning in Fourier Neural Operators (2026)
  Mahmoud Elhadidy and Roshan M. D'Souza and Amirhossein Arzani
  1.78
• Phaedra: Learning High-Fidelity Discrete Tokenization for the Physical Science (2026)
  Levi Lingsch et al.
  1.72
• AntigenLM: Structure-Aware DNA Language Modeling for Influenza (2026)
  Yue Pei et al.
  1.72
• Refine Now, Query Fast: A Decoupled Refinement Paradigm for Implicit Neural Fields (2026)
  Tianyu Xiong et al.
  1.72
• Active learning for data-driven reduced models of parametric differential systems with Bayesian operator inference (2026)
  Shane A. McQuarrie et al.
  1.67
• PIVONet: A Physically-Informed Variational Neuro ODE Model for Efficient Advection-Diffusion Fluid Simulation (2026)
  Hei Shing Cheung et al.
  1.67
• An adjoint method for training data-driven reduced-order models (2026)
  Donglin Liu et al.
  1.67
• ReactorFold: Generative discovery of nuclear reactor cores via emergent physical reasoning (2025)
  Yoonpyo Lee
  1.61
• KANGURA: Kolmogorov-Arnold Network-Based Geometry-Aware Learning with Unified Representation Attention for 3D Modeling of Complex Structures (2025)
  Mohammad Reza Shafie et al.
  1.56
• Data-Driven Temperature Modelling of Machine Tools by Neural Networks: A Benchmark (2025)
  C. Coelho et al.
  1.50
• Large Language Models Meet Virtual Cell: A Survey (2025)
  Krinos Li et al.
  1.50
• Self-Attention to Operator Learning-based 3D-IC Thermal Simulation (2025)
  Zhen Huang et al.
  1.50
• Retrosynthesis Planning via Worst-path Policy Optimisation in Tree-structured MDPs (2025)
  Mianchu Wang and Giovanni Montana
  1.44
• UncertainGen: Uncertainty-Aware Representations of DNA Sequences for Metagenomic Binning (2025)
  Abdulkadir Celikkanat and Andres R. Masegosa and Mads Albertsen and Thomas D. Nielsen
  1.44
• EngiBench: A Framework for Data-Driven Engineering Design Research (2025)
  Florian Felten et al.
  1.39
• BConformeR: A Conformer Based on Mutual Sampling for Unified Prediction of Continuous and Discontinuous Antibody Binding Sites (2025)
  Zhangyu You et al.
  1.39
• Topic Modeling and Link-Prediction for Material Property Discovery (2025)
  Ryan C. Barron et al.
  1.33
• Predictive Digital Twins for Thermal Management Using Machine Learning and Reduced-Order Models (2025)
  Tamilselvan Subramani et al.
  1.22
• Thickness-aware E(3)-Equivariant 3D Mesh Neural Networks (2025)
  Sungwon Kim et al.
  1.22
• Kolmogorov-Arnold Network for Transistor Compact Modeling (2025)
  Rodion Novkin and Hussam Amrouch
  1.11
• Physics-Informed Deep Learning Model for Line-integral Diagnostics Across Fusion Devices (2024)
  Cong Wang et al.
  1.00
• MeshONet: A Generalizable and Efficient Operator Learning Method for Structured Mesh Generation (2025)
  Jing Xiao and Xinhai Chen and Qingling Wang and Jie Liu
  1.00
• Design Editing for Offline Model-based Optimization (2024)
  Ye Yuan et al.
  0.61
• Machine learning thermal circuit network model for thermal design optimization of electronic circuit board layout with transient heating chips (2020)
  Daiki Otaki (1) et al.
  —
• Dimensionally Consistent Learning with Buckingham Pi (2022)
  Joseph Bakarji et al.
  —
• Generative Pre-Trained Transformers for Biologically Inspired Design (2022)
  Qihao Zhu et al.
  —
• gLaSDI: Parametric Physics-informed Greedy Latent Space Dynamics Identification (2022)
  Xiaolong He et al.
  —
• On Fast Simulation of Dynamical System with Neural Vector Enhanced Numerical Solver (2022)
  Zhongzhan Huang et al.
  —
• Machine learning based surrogate models for microchannel heat sink optimization (2022)
  Ante Sikirica et al.
  —
• Modular machine learning-based elastoplasticity: generalization in the context of limited data (2022)
  Jan N. Fuhg et al.
  —
• Spatio-Temporal Super-Resolution of Dynamical Systems using Physics-Informed Deep-Learning (2022)
  Rajat Arora and Ankit Shrivastava
  —
• Solving the HP model with Nested Monte Carlo Search (2023)
  Milo Roucairol and Tristan Cazenave
  —
• Learning Reduced-Order Models for Cardiovascular Simulations with Graph Neural Networks (2023)
  Luca Pegolotti et al.
  —
• Differentiable hybrid neural modeling for fluid-structure interaction (2023)
  Xiantao Fan et al.
  —
• PODTherm-GP: A Physics-based Data-Driven Approach for Effective Architecture-Level Thermal Simulation of Multi-Core CPUs (2023)
  Lin Jiang et al.
  —
• A Multimodal Learning Framework for Comprehensive 3D Mineral Prospectivity Modeling with Jointly Learned Structure-Fluid Relationships (2023)
  Yang Zheng et al.
  —
• An Efficient Consolidation of Word Embedding and Deep Learning Techniques for Classifying Anticancer Peptides: FastText+BiLSTM (2023)
  Onur Karakaya and Zeynep Hilal Kilimci
  —
• Multimodal Deep Learning for Scientific Imaging Interpretation (2023)
  Abdulelah S. Alshehri et al.
  —
• Neural-Integrated Meshfree (NIM) Method: A differentiable programming-based hybrid solver for computational mechanics (2023)
  Honghui Du et al.
  —
• Deep encoder-decoder hierarchical convolutional neural networks for conjugate heat transfer surrogate modeling (2023)
  Takiah Ebbs-Picken et al.
  —