ICLR 2025 Past AI for science

ICLR 2025 Workshop: XAI4Science: From Understanding Model Behavior to Discovering New Scientific Knowledge

ICLR 2025 Workshop XAI4Science

Submission deadline
Feb 11, 2025, 11:59 UTC
imported from OpenReview — check the website for extensions
Submission portal
OpenReview
Notes
Auto-imported from the OpenReview venue record on 2026-06-10 — please verify and enrich (topics are keyword-guessed).

Accepted papers (40)

Fetched from OpenReview (v2) on 2026-06-10.

  1. $\text{CO}_2$-Net: A Physics-Informed Spatio-Temporal Model for Global $\text{CO}_2$ Reconstruction

    Hao Zheng, Yuting Zheng, Hanbo Huang, Chaofan Sun, Lin Liu, Enhui Liao, Yi Han, Hao Zhou, Shiyu Liang
  2. AlphaGo or beta-hCG: a reinforcement learning framework for assisted conception

    Simon Hanassab, Elizaveta Sheremetyeva, Sonali Parbhoo, Scott Nelson, Professor Waljit Dhillo, Thomas Heinis, Ali Abbara
  3. Automated Capability Discovery via Model Self-Exploration

    Cong Lu, Shengran Hu, Jeff Clune
  4. BarkXAI: A Lightweight Post-Hoc Explainable Method for Tree Species Classification with Quantifiable Concepts

    Yunmei Huang, Songlin Hou, Zachary Nelson Horve, Songlin Fei
  5. Bayesian Concept Bottleneck Models with LLM Priors

    Jean Feng, Avni Kothari, Lucas Zier, Chandan Singh, Yan Shuo Tan
  6. Causal Concept Graph Models: Beyond Causal Opacity in Deep Learning

    Gabriele Dominici, Pietro Barbiero, Mateo Espinosa Zarlenga, Alberto Termine, Martin Gjoreski, Giuseppe Marra, Marc Langheinrich
  7. Causal Lifting of Neural Representations: Zero-Shot Generalization for Causal Inferences

    Riccardo Cadei, Ilker Demirel, Piersilvio De Bartolomeis, Lukas Lindorfer, Sylvia Cremer, Cordelia Schmid, Francesco Locatello
  8. Causally Reliable Concept Bottleneck Models

    Giovanni De Felice, Arianna Casanova, Francesco De Santis, Silvia Santini, Johannes Schneider, Pietro Barbiero, Alberto Termine
  9. Circuit mechanism for compositional induction in transformer

    Cheng Tang, Brenden Lake, Mehrdad Jazayeri
  10. Counterfactual Concept Bottleneck Models

    Gabriele Dominici, Pietro Barbiero, Francesco Giannini, Martin Gjoreski, Giuseppe Marra, Marc Langheinrich
  11. Efficient and Flexible Neural Network Training through Layer-wise Feedback Propagation

    Leander Weber, Jim Berend, Moritz Weckbecker, Alexander Binder, Thomas Wiegand, Wojciech Samek, Sebastian Lapuschkin
  12. Emergence of Computational Structure in a Neural Network Physics Simulator

    Rohan Hitchcock, Gary W Delaney, Jonathan H. Manton, Richard Scalzo, Jingge Zhu
  13. From Markov to Laplace: How Mamba In-Context Learns Markov Chains

    Marco Bondaschi, Nived Rajaraman, Xiuying Wei, Kannan Ramchandran, Razvan Pascanu, Caglar Gulcehre, Michael Gastpar, Ashok Vardhan Makkuva
  14. Generating $\pi$-Functional Molecules Using STGG+ with Active Learning

    Alexia Jolicoeur-Martineau, Yan Zhang, Boris Knyazev, Aristide Baratin, Cheng-Hao Liu
  15. Graph Discrete Diffusion: a Spectral Study

    Olga Zaghen, Manuel Madeira, Laura Toni, Pascal Frossard
  16. Hybrid Generative Modeling for Incomplete Physics: Deep Grey-Box Meets Optimal Transport

    Gurjeet Sangra Singh, Maciej Falkiewicz, Alexandros Kalousis
  17. LEARNING MULTIPHASE AND MULTIPHYSICS SYSTEM WITH DECOUPLED STATE SPACE MODEL

    Yun Young Choi, Seunghwan Lee, Minho Lee, Lee JinHaeng, Joohwan Ko, Chanwoong Moon
  18. LENS: Learning and Evolving Numerical Scores for Cohort-Specific Clinical Insights

    Kei Sen Fong, Mehul Motani
  19. Limits of Deep Learning: Sequence Modeling through the Lens of Complexity Theory

    Nikola Zubic, Federico Soldà, Aurelio Sulser, Davide Scaramuzza
  20. Machine learning-based Optimization for Molten pool Dynamics in Laser Manufacturing

    Le Song, Zhiyong Huang, Xuyang Chen
  21. Massive Activations in Graph Neural Networks: Decoding Attention for Domain-Dependent Interpretability

    Lorenzo Bini, Marco Sorbi, Stephane Marchand-Maillet
  22. Measuring Leakage in Concept-Based Methods: An Information Theoretic Approach

    Mikael Makonnen, Moritz Vandenhirtz, Sonia Laguna, Julia E Vogt
  23. Modeling Multi-Regional and Non-Stationary Neural Dynamics via Latent Sub-Circuits

    Noga Mudrik, Ryan Ly, Oliver Ruebel, Adam Shabti Charles
  24. Moment Neural Operator: Interpretable mapping in discontinuous function spaces

    Qi Gao, Kuang Huang, Xuan Di
  25. NeuralDEM: Real-time Simulation of Industrial Particulate Flows

    Benedikt Alkin, Tobias Kronlachner, Samuele Papa, Stefan Pirker, Thomas Lichtenegger, Johannes Brandstetter
  26. Piecewise Polynomial Regression of Tame Functions via Integer Programming

    Gilles Bareilles, Johannes Aspman, Jiří Němeček, Jakub Marecek
  27. Post-hoc Interpretability Illumination for Scientific Interaction Discovery

    Ling Zhang, Zhichao Hou, Tingxiang Ji, Yuanyuan Xu, Runze Li
  28. Reconstructing Dynamics from Steady Spatial Patterns with Partial Observations

    Xinyue Luo, Xuzhe Qian, Yu Chen, Huaxiong Huang, Jin Cheng
  29. Rethinking Visual Counterfactual Explanations Through Region Constraint

    Bartlomiej Sobieski, Jakub Grzywaczewski, Bartłomiej Sadlej, Matthew Tivnan, Przemyslaw Biecek
  30. SAeUron: Interpretable Concept Unlearning in Diffusion Models with Sparse Autoencoders

    Bartosz Cywiński, Kamil Deja
  31. Scaling Sparse Autoencoders for Interpreting Protein Structure Prediction

    John Jingxuan Yang, David J Yang, Nithin Parsan
  32. SHAP-BASED A-POSTERIORI INTERPRETABILITY FOR GRAPH NEURAL NETWORKS IN CFD-BASED SUSTAINABLE BUILDING SIMULATIONS

    BO SUN, hanmo wang, Tam Hong Nguyen, Alexander Lin
  33. Skip the Equations: Learning Behavior of Personalized Dynamical Systems Directly From Data

    Krzysztof Kacprzyk, Julianna Piskorz, Mihaela van der Schaar
  34. Spatially-Informed Sampling Enables Accurate Prediction of Large-Scale Mutational Effects

    Maxime Basse, Dianzhuo Wang, Eugene Shakhnovich
  35. TIME-AWARE FEATURE SELECTION: ADAPTIVE TEMPORAL MASKING FOR STABLE SPARSE AUTOENCODER TRAINING

    Ed Li, Junyu Ren
  36. TIMING: Temporality-Aware Integrated Gradients for Time Series Explanation

    Hyeongwon Jang, Changhun Kim, Eunho Yang
  37. Towards Mechanistic Interpretability of Graph Transformers via Attention Graphs

    Batu El, Deepro Choudhury, Pietro Lio, Chaitanya K. Joshi
  38. ULTra: Unveiling Latent Token Interpretability in Transformer-Based Understanding

    Hesam Hosseini, Ghazal Hosseini Mighan, Amirabbas Afzali, Sajjad Amini, Amir Houmansadr
  39. Unveiling the Hidden Structure of Self-Attention via Kernel Principal Component Analysis

    Rachel S.Y. Teo, Tan Minh Nguyen
  40. Why Uncertainty Calibration Matters for Reliable Perturbation-based Explanations

    Thomas Decker, Volker Tresp, Florian Buettner