Model Discovery

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  1. Are We Recovering Mechanisms? Objective-Level Recovery Gaps in Mechanistic Interpretability

    Oct 1, 2026Chuqin Geng, Li Zhang, Haolin Ye +3Mechanistic InterpretabilityModel Discovery

    University of Toronto · McGill University

  2. WOMBAT: Whitebox Oracle for Molecular Benchmarking and Attribution Testing

    Sep 30, 2026Dominik Matuszek, Bartosz Zieliński, Tomasz Danel +1Graph Neural NetworksExplainable AI Methods

    Jagiellonian University, Faculty of Mathematics and Computer Science · Jagiellonian University, Doctoral School of Exact and Natural Sciences · Jagiellonian University, Jagiellonian Center for Artificial Intelligence +2

  3. Initialization Improves LLM-Driven Discovery

    Sep 30, 2026Mansi Sakarvadia, Marco Ciccone, Colin RaffelModel Discovery

    University of Chicago · Vector Institute · University of Toronto

  4. Searching for BSM Experimental Signatures with Large Lagrangian Models

    Sep 29, 2026Ibrahim Elsharkawy, Victoria Knapp-Perez, Wahid Bhimji +1Model DiscoveryGeneral Relativity

    Department of Physics, University of Toronto and Vector Institute, Toronto, ON, Canada · NERSC, Lawrence Berkeley National Laboratory, Berkeley, California, USA · Department of Physics and Astronomy, University of California, Irvine, CA 92697 +3

  5. SleuthBench: Benchmarking Statistical LLM Evaluation Using Tabular Hidden Signals

    Sep 28, 2026Jingyun Jia, Antoine Remond-Tiedrez, Aaron Alvarez +3Large Language Model EvaluationModel Discovery

    University of Wisconsin–Madison, Intelligible · Intelligible · University of Cincinnati

  6. Autonomous phase discovery

    Sep 27, 2026Shiyu Zhou, Yuxuan Zhang, Sebastian Wetzel +2Quantum PhasesQuantum Annealing

    Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2L 2Y5, Canada · Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA · Institute of Physics, Ecole Polytechnique Federale de Lausanne, Lausanne, Switzerland +2

  7. AutoData: Agentic Search for Pre-training Data Selection

    Sep 17, 2026Yan Meng, Dhruv Srikanth, Bingchen Zhao +2Data Science AgentsMle-Bench Lite

    University of Amsterdam · Weco AI

  8. Discovery Foundation Models: Toward Open-Ended Discovery Intelligence

    Sep 14, 2026Ling Yang, Zhenfei Yin, Yingcheng WuModel DiscoveryDiscovery

    DFM Scientist Collaboration Program

  9. Automated Detection and Structuring of Social Tipping Point Evidence in Climate related Documents: A Modular AI Framework

    Sep 14, 2026Kavindu Perera, Mohammad Abaeiani, Ekaterina Gilman +14Large Language Model ClassificationBert-Based Models

    Center for Applied Computing, University of Oulu, Oulu, 90570, North Ostrobothnia, Finland. · Center for Machine Vision and Signal Analysis, University of Oulu, Oulu, 90570, North Ostrobothnia, Finland. · ITML CY, 185 Arch. Makariou III Ave, Limassol, 3095, Cyprus. +6

  10. Biology-in-the-loop: Amortized Adaptive Hit Discovery in CRISPR Screens

    Sep 12, 2026Carl Edwards, Edward De Brouwer, Xiner Li +5ScreeningDrug Discovery

    Genentech, South San Francisco, CA, USA

  11. CausalArena: Benchmarking Causal Discovery in the Foundation Model Era

    Sep 10, 2026Zi-Rong Li, Si-Yang Liu, Tian-Zuo Wang +1Causal Discovery MethodsCausal

    School of Artificial Intelligence, Nanjing University

  12. SMILE: Bridging Continuous Optimization and Discrete Symbolic Recovery

    Sep 4, 2026Mansooreh Montazerin, Antonio Ortega, Ajitesh SrivastavaSymbolic RegressionModel Discovery

    Department of Electrical and Computer Engineering University of Southern California

  13. Large Discovery Models: Empirically-grounded Model-Based Open-Ended Search

    Aug 16, 2026Zhongwei Yu, Yan Song, Xue Yan +9Model DiscoveryDiscovery

    The Hong Kong University of Science and Technology (GZ) · University College London · AI Lab, The Yangtze River Delta +3

  14. Multimodal Model Diffing for Feature Discovery and Control

    Aug 10, 2026Hunar Batra, Lachin Naghashyar, Ashkan Khakzar +4Multimodal Large Language ModelsMultimodal Model

    University of Oxford · Microsoft

  15. Model Discovery Agent: LLM-assisted Bayesian experiment design for data-efficient discovery of mechanistic world models

    Aug 10, 2026Kevin MurphyModel DiscoveryAgentic Discovery

    Dept. Computer Science Univ. British Columbia, Canada.

  16. DocMemo: Dynamic Evidence Discovery via Probabilistic Memory-Guided Retrieval for Multi-Modal Document Understanding

    Aug 7, 2026Hanshu Yao, Janfeng Zhong, Niu Lian +1DocumentMulti-Hop Reasoning

    1Harbin Institute of Technology, Shenzhen · 2Tsinghua Shenzhen International Graduate School, Tsinghua University

  17. Science Edge Evaluation: SEE the Missing Step Toward Real Scientific Discovery

    Aug 7, 2026Taolin Han, Yuchen Zhang, Jinghang Wang +22Scientific DiscoveryModel Discovery

    1Alibaba Group · University of Chinese Academy of Sciences · Taolin Han1,3* +28

  18. DASyR-LLM: Domain-Aware Symbolic Regression with LLMs for Kinetic Model Discovery

    Aug 5, 2026Roberto Aliaga Medina, Paulina Quintanilla, Antonio del Rio ChanonaSymbolic RegressionChemical Process Systems

    Department of Chemical Engineering Imperial College London South Kensington, London, SW7 2AZ, UK · Department of Chemical Engineering, Biotechnology, and Materials University of Chile, Santiago, Chile · Department of Chemical Engineering University College London Gower Street, London, WC1E 6BT, UK

  19. Towards Autonomous Formulaic Alpha Discovery: An Evolutionary Computation Perspective

    Aug 3, 2026Xinwei Yu, Yiyang Fu, Mingcheng Fan +3Evolutionary OptimizationModel Discovery

    Xi’an Jiaotong-Liverpool University, Suzhou 215123, China · Shanghai University, Shanghai 200444, China

  20. Verifier-Guided Model Discovery for Physical Dynamical Systems with Pretrained Symbolic Transformers

    Aug 1, 2026Farbod Faraji, Francesco BelardinelliVortexDynamical Systems

    Department of Computing, Huxley Building, Imperial College London 180 Queen’s Gate, South Kensington, London SW7 2RH, United Kingdom

  21. Adaptive Graph-of-Islands Evolution for Automatic Feature Engineering with LLMs

    Jul 25, 2026Sha Li, Naren RamakrishnanFeature EngineeringTabular Learning

    Department of Computer Science Virginia Tech Blacksburg, VA 24060 · Department of Computer Science Virginia Tech Alexandria, VA 22305

  22. Machine Can Automatically Discover Parametric Functions to Model HEP Data

    Jul 22, 2026Ho Fung Tsoi, Dylan Rankin, Cecile Caillol +5Symbolic RegressionSymbol-

    University of Pennsylvania, USA · European Organization for Nuclear Research (CERN), Switzerland · University of Cambridge, UK +4

  23. CircuitKIT : Circuit Discovery, Evaluation, and Application Toolkit for Mechanistic Interpretability

    Jul 21, 2026Pratinav Seth, Hem Gosalia, Aditya Kasliwal +1CircuitsModel Discovery

    Lexsi Labs

  24. Automated Discovery Has No Universally Superior Harness

    Jul 20, 2026Akshat Gupta, Jermaine Lei, Alexander Lu +2Evolutionary SearchModel Discovery

    UC Berkeley · MIT, MIT-IBM Watson AI Lab

  25. Automatic Ordinary Differential Equations Discovery For Biological Systems Using Large Language Model Powered Agentic System

    Jul 15, 2026David Krongauz, Arad Zulti, Eran Segal +1Model DiscoveryOrdinary Differential Equations

    Department of Computer Science and Applied Mathematics, Weizmann Institute of Science, Rehovot, Israel · Department of Molecular Cell Biology, Weizmann Institute of Science, Rehovot, Israel · Mohamed bin Zayed University of Artificial Intelligence, Abu Dhabi, United Arab Emirates +2

  26. From Observation to Insight: Mechanistic World Models and the Quest for Autonomous Discovery

    Jul 14, 2026Ingmar Posner, Anson Lei, Bernhard SchölkopfModel DiscoveryMechanistic Interpretability

    Applied AI Lab., University of Oxford, United Kingdom. · MPI for Intelligent Systems & ELLIS Institute, Tübingen, Germany.

  27. DAG-FM: A Foundation Model for Causal Discovery under Heterogeneous Causal Mechanisms

    Jul 13, 2026Yikang Chen, Zhengkang Guan, Haoyuan Qian +3Causal Discovery MethodsCausal Modeling

    1Zhejiang University · 2Tsinghua University

  28. CDFM: Towards a General-Purpose Causal Discovery Foundation Model

    Jul 13, 2026Jie Qiao, Ruichu Cai, Zijian Li +6Causal Discovery MethodsModel Discovery

    School of Computer Science, Guangdong University of Technology, Guangzhou, China · College of Mathematics and Computer, Shantou University, Shantou, China · Department of Computer Science and Technology, Tsinghua University, Beijing, China

  29. Imaging-101: Benchmarking LLM Coding Agents on Scientific Computational Imaging

    Jul 12, 2026Siyi Chen, Jiahe Ying, Yixuan Jia +9Deterministic ReconstructionCoding Agents

    Key Laboratory of Spacecraft Design Optimization and Dynamic Simulation Technologies, Ministry of Education, Beijing, 102206, China

  30. Evolutionary Intelligence for Scientific Discovery: From Evolutionary Computation to Cumulative Discovery Systems

    Jul 10, 2026Chao Wang, Lingling Li, Fang Liu +1Scientific DiscoveryModel Discovery

    1*School of Artificial Intelligence, Xidian University, No. 2 South Taibai Road, Xi’an, 710071, Shaanxi, China.

  31. Explainable Novel Category Discovery in Semantic Concept Space

    Jul 5, 2026Ifrat Ikhtear Uddin, Yang Zhou, KC Santosh +1Generalized Category DiscoveryModel Discovery

    Department of Computer Science, University of South Dakota, USA · Department of Computer Science and Software Engineering, Auburn University, USA

  32. Dictionaries, Not Darwin: Set-Level Selection Beats LLM Evolution in Scientific Equation Discovery

    Jul 5, 2026Pan LiScientific DiscoveryModel Discovery

    Independent Researcher

  33. LLM-Guided ODE Discovery and Parameter Inference from Small-Cohort Aggregate Data

    Jul 1, 2026Hanning Yang, Meropi Karakioulaki, Lennart Purucker +3Rare DiseaseModel Discovery

    Institute of Medical Biometry and Statistics, Faculty of Medicine and Medical Center, University of Freiburg, Germany · Department of Dermatology, Medical Faculty and Medical Center, University of Freiburg, Germany · Prior Labs, University of Freiburg, Germany

  34. How Can AI Find My Model? A Model-Finding Experimental Study Considering Data Formats, Embeddings, and Retrieval Strategies

    Jun 29, 2026Jhon G. Botello, Jose J. Padilla, Erika Frydenlund +2Artificial Intelligence ModelsModel Discovery

    Dept. of Computer Science, Old Dominion University, Norfolk, VA, USA · Virginia Modeling, Analysis, and Simulation Center, Old Dominion University, Norfolk, VA, USA · Virginia Digital Maritime Center, Old Dominion University, Norfolk, VA, USA +1

  35. Sample Complexity of Scientific Discovery: PAC Learnability of Compositional Function Trees

    Jun 28, 2026Şuayp Talha Kocabay, Talha Rüzgar Akkuş, Kerem YalçınSymbolic RegressionSample Complexity

    Independent Researcher · TÜBİTAK Science High School

  36. AnTenA: Actionable and Explainable Tensor Analysis System with Large Language Models

    Jun 27, 2026Dawon Ahn, Auder Der, Evangelos E. PapalexakisExplainable AI MethodsModel Discovery

    University of California, Riverside CA 92507, USA · Neuralix AI, Houston, TX, USA

  37. Turn-Averaged SAEs for Feature Discovery and Long-Context Attribution

    Jun 26, 2026Kevin Der, Harish Kamath, Ben ThompsonSparse Autoencoder FeaturesImproving Sparse Autoencoders

    Anthropic Fellows Program · Anthropic

  38. Scientific discovery as meta-optimization: a combinatorial optimization case study

    Jun 25, 2026Yuan-Hang Zhang, Chesson Sipling, Massimiliano Di VentraScientific DiscoveryModel Discovery

  39. Where Is My Physics Wrong? Localized and Identifiable Discovery of Model Discrepancy

    Jun 22, 2026Yifan WangDiscrepancyModel Discovery

    Department of Mechanical Engineering, McGill University, QC, H3A 2T7, Canada

  40. DeepDiscovery: A Location-Inference Framework for Task-Level Repository Understanding

    Jun 22, 2026Jiawei He, Weisong Sun, Mengyu Shi +4CodebasesModel Discovery

    AMAP, Alibaba Group · Nanyang Technological University · Nanjing University +1

  41. Demystifying Variance in Circuit Discovery of LLMs

    Jun 15, 2026Frank Zhengqing Wu, Francesco Tonin, Volkan CevherMechanistic InterpretabilityCircuits

    Laboratory for Information and Inference Systems (LIONS) École Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland · Laboratory for Informationand Inference Systems (LIONS) École Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland

  42. Discovery under Hypothesis Redundancy: A Geometric Theory of Discovery Bottlenecks

    Jun 12, 2026Li Xia, Baoxun WangModel DiscoveryDiscovery

    School of Economics and Management, Tsinghua University · Platform & Content Group, Tencent

  43. Data-driven discovery of governing differential equations across physical systems

    Jun 8, 2026Siyu Lou, Hao Xu, Wenguan Wang +6Ordinary Differential EquationsModel Discovery

    School of Computer Science, Shanghai Jiao Tong University, Shanghai, China · Ningbo Key Laboratory of Advanced Manufacturing Simulation, Eastern Institute of Technology, Ningbo, Ningbo, China · The State Key Lab of Brain-Machine Intelligence, Zhejiang University, Hangzhou, China. +5

  44. Compile Once, Differentiate Everywhere: A Differentiable Meta-Circular Interpreter

    Jun 7, 2026Lucas ShenemanDifferentiable OptimizationGradient-Based Optimization

    Institute for Interdisciplinary Data Sciences University of Idaho

  45. GPT-Micro: A large language paradigm for accelerated, inexpensive, and thermodynamics-consistent discovery of constitutive models in manufacturing

    Jun 6, 2026Soumik Dutta, Kiarash Naghavi Khanghah, Sania Shree +4Data-Driven Materials DiscoveryMaterials

    Department of Mechanical and Aerospace Engineering, Rutgers University, USA · Department of Mechanical, Aerospace & Manufacturing Engineering, University of Connecticut, USA · Edison Welding Institute, USA +2

  46. Shared Semantics, Divergent Mechanisms: Unsupervised Feature Discovery by Aligning Semantics and Mechanisms

    Jun 6, 2026Hyunjin Cho, Youngji Roh, Jaehyung KimMechanistic InterpretabilityInterpretability

    Yonsei University

  47. Discovering Multiscale Deep Formulas in Complex Systems via Neural-Guided Lambda Calculus

    Jun 5, 2026Hanqiao Yu, Shusen Yang, Xuebin Ren +1Model DiscoveryMultiscale

    National Engineering Laboratory for Big Data Analytics, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China. · School of Mathematics and Statistics, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China. · School of Computer Science and Technology, Faculty of Electronic and Information Engineering, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China.

  48. CauTion: Knowing When to Trust LLMs for Ensemble Causal Discovery

    Jun 2, 2026Bo Peng, Kaiwen Wu, Sirui Chen +3Causal Discovery MethodsModel Discovery

    Shanghai AI Laboratory · Shanghai Innovation Institute · Shanghai Jiao Tong University +2

  49. TabCausal: Pretraining Across Causal Environments for Tabular Causal Discovery

    May 29, 2026Zi-Rong Li, Si-Yang Liu, Tian-Zuo Wang +1Causal Discovery MethodsCausal

    Nanjing University

  50. Model discovery for dynamical systems with complex-valued product units

    May 26, 2026Martin Brückmann, Babette Dellen, Uwe JaekelDynamical SystemsChaos

    Department of Mathematics, Informatics, and Technology, RheinAhrCampus Remagen University of Applied Sciences Koblenz Joseph-Rovan-Allee 2, 53424 Remagen, Germany

  51. Summoning the Oracle to Slay It: Mitigating Look-Ahead Bias in Financial Backtesting with Large Language Models

    May 23, 2026Weixian Waylon Li, Mengyu Wang, Tiejun MaFinancial Question AnsweringLookahead

    University of Edinburgh

  52. Comment on "Spin-1/2 Kagome Heisenberg Antiferromagnet: Machine Learning Discovery of the Spinon Pair-Density-Wave Ground State"

    May 21, 2026Helia Kamal, Dominik Kufel, DinhDuy Vu +2Quantum PhasesModel Discovery

    Department of Physics, Harvard University, Cambridge, MA 02138, USA · Harvard Quantum Initiative, Cambridge, MA 02138, USA · Department of Physics, Boston University, Boston, MA 02215, USA

  53. Beyond Scalar Objectives: Expert-Feedback-Driven Autonomous Experimentation for Scientific Discovery at the Nanoscale

    May 20, 2026Ralph Bulanadi, Jefferey Baxter, Arpan Biswas +5MicroscopyModel Discovery

    Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA · University of Tennessee-Oak Ridge Innovation Institute, University of Tennessee, Knoxville, TN 37996, USA · Department of Material Science and Engineering, School of Materials and Chemical Technology, Institute of Science Tokyo, Yokohama, 226-8502, Japan +3

  54. Learning First Integrals via Backward-Generated Data and Guided Reinforcement Learning

    May 20, 2026Jingfeng Zhong, Zhengxiang Liu, Zhijie Wang +1IntegralFunctional Code Solvers

    Shanghai Jiao Tong University China

  55. Beyond Text and Tables: Vision-Language Model Integration in ComProScanner for Extracting Materials Data from Scientific Figures with High Accuracy

    May 19, 2026Aritra Roy, Enrico Grisan, Chiara Gattinoni +1Scientific FigureExtraction

    Energy, Materials and Environment Research Centre, London South Bank University, London SE1 0AA, UK. · School of Engineering and Design, London South Bank University, London SE1 0AA, UK. · Bioscience and Bioengineering Research Centre, London South Bank University, London SE1 0AA, UK. +1

  56. A Unified Framework for Structured Flow Modeling: From Representation to Verification and Model Discovery

    May 18, 2026Diego CasadeiVector FieldsFlow Models

    Fly High Engineering AG, Badenerstrasse 13, 5200 Brugg AG, Switzerland

  57. LEAP: A closed-loop framework for perovskite precursor additive discovery

    May 18, 2026Xin-De Wang, Zhi-Rui Chen, Ze-Feng Gao +3PhotovoltaicChemical Structures

    School of Physics, Renmin University of China, Beijing, China · School of Chemistry and Life Resource, Renmin University of China, Beijing, China

  58. ArtifactLinker: Linking Scientific Artifacts for Automatic State-of-the-Art Discovery

    May 16, 2026Haofei Yu, Jiaxuan You, Peter Clark +2Model DiscoveryArtifacts

    University of Illinois Urbana-Champaign · Allen Institute for AI

  59. SMCEvolve: Principled Scientific Discovery via Sequential Monte Carlo Evolution

    May 14, 2026Jiachen Jiang, Huminhao Zhu, Zhihui ZhuEvolutionary SearchAlphaevolve

    Department of Computer Science and Engineering The Ohio State University

  60. Beyond AI as Assistants: Toward Autonomous Discovery in Cosmology

    May 14, 2026Licong Xu, Thomas BorrettArtificial Intelligence ScientistsCosmology

    Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA, UK · Kavli Institute for Cosmology, University of Cambridge, Madingley Road, Cambridge CB3 0HA, UK · Cavendish Astrophysics, University of Cambridge, Madingley Road, Cambridge CB3 0HA, UK