% Key papers for Neural combinatorial optimization on graphs (scime atlas, https://atlas.scime.ai). Authors are not included: add them from the paper pages. @inproceedings{neurips2017_learning_56416, title = {{Learning Combinatorial Optimization Algorithms over Graphs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2017}, url = {https://nips.cc/virtual/2017/poster/9405}, } @inproceedings{iclr2017_deep_28271, title = {{Deep Biaffine Attention for Neural Dependency Parsing}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2017}, url = {https://openreview.net/forum?id=Hk95PK9le}, } @inproceedings{neurips2019_exact_58228, title = {{Exact Combinatorial Optimization with Graph Convolutional Neural Networks}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2019}, url = {https://nips.cc/virtual/2019/poster/14449}, } @inproceedings{neurips2017_predicting_56587, title = {{Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2017}, url = {https://nips.cc/virtual/2017/poster/9047}, } @inproceedings{iclr2019_learning_28898, title = {{Learning a SAT Solver from Single-Bit Supervision}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2019}, url = {https://iclr.cc/virtual/2019/poster/726}, } @inproceedings{aaai2019_learning_101684, title = {{Learning to Solve NP-Complete Problems: A Graph Neural Network for Decision TSP}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2019}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/4399}, } @inproceedings{icml2019_dag_37261, title = {{DAG-GNN: DAG Structure Learning with Graph Neural Networks}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2019}, url = {https://icml.cc/virtual/2019/poster/4301}, } @inproceedings{icml2018_learning_36802, title = {{Learning Steady-States of Iterative Algorithms over Graphs}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2018}, url = {https://icml.cc/virtual/2018/poster/2424}, } @inproceedings{neurips2019_d_58074, title = {{D-VAE: A Variational Autoencoder for Directed Acyclic Graphs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2019}, url = {https://nips.cc/virtual/2019/poster/13371}, } @inproceedings{neurips2017_premise_56592, title = {{Premise Selection for Theorem Proving by Deep Graph Embedding}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2017}, url = {https://nips.cc/virtual/2017/poster/9064}, } @inproceedings{icml2017_decoupled_36129, title = {{Decoupled Neural Interfaces using Synthetic Gradients}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2017}, url = {https://icml.cc/virtual/2017/poster/665}, } @inproceedings{aaai2020_accelerating_100635, title = {{Accelerating Primal Solution Findings for Mixed Integer Programs Based on Solution Prediction}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2020}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/5503}, } @inproceedings{icml2020_adaptive_37905, title = {{Adaptive Checkpoint Adjoint Method for Gradient Estimation in Neural ODE}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2020}, url = {https://icml.cc/virtual/2020/poster/5900}, } @inproceedings{cvpr2021_inferring_17186, title = {{Inferring CAD Modeling Sequences Using Zone Graphs}}, booktitle = {IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}, year = {2021}, } @inproceedings{aaai2021_a_6, title = {{A Bottom-Up DAG Structure Extraction Model for Math Word Problems}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2021}, url = {https://aaai.org/papers/00039-a-bottom-up-dag-structure-extraction-model-for-math-word-problems/}, } @inproceedings{neurips2018_automatic_56882, title = {{Automatic differentiation in ML: Where we are and where we should be going}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2018}, url = {https://nips.cc/virtual/2018/poster/11836}, } @inproceedings{neurips2021_neurolkh_62364, title = {{NeuroLKH: Combining Deep Learning Model with Lin-Kernighan-Helsgaun Heuristic for Solving the Traveling Salesman Problem}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2021}, url = {https://nips.cc/virtual/2021/poster/28310}, } @inproceedings{neurips2019_retrosynthesis_58912, title = {{Retrosynthesis Prediction with Conditional Graph Logic Network}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2019}, url = {https://nips.cc/virtual/2019/poster/13939}, } @inproceedings{cvpr2020_bundle_15215, title = {{Bundle Adjustment on a Graph Processor}}, booktitle = {IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}, year = {2020}, } @inproceedings{iclr2020_reinforced_29864, title = {{Reinforced Genetic Algorithm Learning for Optimizing Computation Graphs}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2020}, url = {https://openreview.net/forum?id=rkxDoJBYPB}, } @inproceedings{aaai2024_learning_6507, title = {{Learning to Optimize Permutation Flow Shop Scheduling via Graph-Based Imitation Learning}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/29998}, } @inproceedings{iclr2024_deep_35069, title = {{Deep Reinforcement Learning Guided Improvement Heuristic for Job Shop Scheduling}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/18004}, } @inproceedings{neurips2024_a_71650, title = {{A Structure-Aware Framework for Learning Device Placements on Computation Graphs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/95628}, } @inproceedings{aaai2026_learn_107299, title = {{Learn from Global Correlations: Enhancing Evolutionary Algorithm via Spectral GNN}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2026}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/39651}, } @inproceedings{iclr2024_improving_35403, title = {{Improving protein optimization with smoothed fitness landscapes}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/17670}, } @inproceedings{aaai2024_combhelper_5352, title = {{COMBHelper: A Neural Approach to Reduce Search Space for Graph Combinatorial Problems}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/30070}, } @inproceedings{aaai2024_end_5836, title = {{End-to-End Verification for Subgraph Solving}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/28642}, } @inproceedings{aaai2025_destroy_8704, title = {{Destroy and Repair Using Hyper-Graphs for Routing}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/34018}, } @inproceedings{icml2024_surprisingly_43884, title = {{Surprisingly Strong Performance Prediction with Neural Graph Features}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/34568}, } @inproceedings{neurips2024_semantic_71579, title = {{Semantic Routing via Autoregressive Modeling}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/95691}, } @inproceedings{aaai2025_learn2aggregate_9718, title = {{Learn2Aggregate: Supervised Generation of Chvatal-Gomory Cuts Using Graph Neural Networks}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/34900}, } @inproceedings{aaai2025_neuro_10114, title = {{Neuro-Guided Graph Search for Symbolic Regression (Student Abstract)}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/35314}, } @inproceedings{iclr2024_constraint_34176, title = {{Constraint-Free Structure Learning with Smooth Acyclic Orientations}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/18899}, } @inproceedings{icml2024_simulation_44756, title = {{Simulation of Graph Algorithms with Looped Transformers}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/33696}, } @inproceedings{icml2025_g_48647, title = {{G-Adaptivity: optimised graph-based mesh relocation for finite element methods}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/43974}, } @inproceedings{neurips2024_deep_72276, title = {{Deep Equilibrium Algorithmic Reasoning}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/95069}, } @inproceedings{neurips2024_graph_72568, title = {{Graph Learning for Numeric Planning}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/94804}, } @inproceedings{iclr2026_frontierco_85189, title = {{FrontierCO: Real-World and Large-Scale Evaluation of Machine Learning Solvers for Combinatorial Optimization}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2026}, url = {https://openreview.net/forum?id=BVprkacwFY}, } @inproceedings{aaai2026_the_100004, title = {{The GATTACA Framework: Graph Neural Network-Based Reinforcement Learning for Controlling Biological Networks}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2026}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/37055}, } @inproceedings{aaai2026_coco_107323, title = {{CoCo-MILP: Inter-Variable Contrastive and Intra-Constraint Competitive MILP Solution Prediction}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2026}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/39675}, }