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José Miguel Hernández-Lobato

  1. Los carnavales de La Bañeza: Aspectos antropológicos
    1976/01/01 by Rafael Gómez-Bombarelli, Jennifer N. Wei, David Duvenaud +8 · 2 voices · 71 citations
    Arts and Humanities · Computer Science · Environmental Science · Materials Science · #Chemistry and Chemical Engineering #Computational Drug Discovery Methods #Cultural and Mythological Studies #Historical and Literary Analyses #Machine Learning in Materials Science #Spanish Literature and Culture Studies #cs.LG #physics.chem-ph
  2. Probabilistic Backpropagation for Scalable Learning of Bayesian Neural\n Networks
    2015/02/18 by José Miguel Hernández-Lobato, Hernández-Lobato, José Miguel, Ryan P. Adams +1 · 72 citations
    Computer Science · #Machine Learning and Data Classification #Advanced Neural Network Applications #Bayesian Modeling and Causal Inference
  3. Predictive Entropy Search for Efficient Global Optimization of Black-box\n Functions
    2014/06/10 by José Miguel Hernández-Lobato, Hernández-Lobato, José Miguel, Matthew W. Hoffman +3 · 22 citations
    Computer Science · Decision Sciences · Mathematics · #Advanced Bandit Algorithms Research #Advanced Multi-Objective Optimization Algorithms #Advanced Optimization Algorithms Research #FOS: Computer and information sciences #Gaussian Processes and Bayesian Inference #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning and Algorithms
  4. Grammar Variational Autoencoder
    2017/03/06 by Matt J. Kusner, Kusner, Matt J., Brooks Paige +3 · 22 citations
    Computer Science · Materials Science · #Topic Modeling #Generative Adversarial Networks and Image Synthesis #Machine Learning in Materials Science
  5. Flow Annealed Importance Sampling Bootstrap
    2022/08/03 by Laurence Illing Midgley, Vincent Stimper, Midgley, Laurence Illing +7 · 19 citations
    Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics #Quantitative Methods (q-bio.QM)
  6. EDDI: Efficient Dynamic Discovery of High-Value Information with Partial\n VAE
    2018/09/28 by Chao Ma, Sebastian Tschiatschek, Ma, Chao +9 · 14 citations
    Computer Science · #Machine Learning and Data Classification #Machine Learning in Healthcare #Gaussian Processes and Bayesian Inference
  7. GANS for Sequences of Discrete Elements with the Gumbel-softmax\n Distribution
    2016/11/12 by Matt J. Kusner, Kusner, Matt J., José Miguel Hernández-Lobato +1 · 10 citations
    Computer Science · #FOS: Computer and information sciences #Generative Adversarial Networks and Image Synthesis #Image Processing and 3D Reconstruction #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Neural Networks and Applications
  8. Bayesian Deep Learning via Subnetwork Inference
    2020/10/28 by Erik Daxberger, Eric Nalisnick, Daxberger, Erik +7 · 10 citations
    Computer Science · #Gaussian Processes and Bayesian Inference #Adversarial Robustness in Machine Learning #Machine Learning and Data Classification
  9. Predictive Entropy Search for Bayesian Optimization with Unknown Constraints
    2015/02/18 by José Miguel Hernández-Lobato, Michael A. Gelbart, Hernández-Lobato, José Miguel +7 · 7 citations
    Computer Science · #Gaussian Processes and Bayesian Inference #Advanced Multi-Objective Optimization Algorithms #Machine Learning and Algorithms
  10. Position: Bayesian Deep Learning is Needed in the Age of Large-Scale AI
    2024/02/01 by Theodore Papamarkou, Papamarkou, Theodore, Maria Skoularidou +47 · 1 voice · 11 citations
    #cs.LG #stat.ML
  11. SE(3) Equivariant Augmented Coupling Flows
    2023/08/20 by Laurence I. Midgley, Vincent Stimper, Midgley, Laurence I. +9 · 10 citations
    Computer Science · Engineering · #Advanced Mathematical Modeling in Engineering #Computational Physics (physics.comp-ph) #Computer Graphics and Visualization Techniques #FOS: Computer and information sciences #FOS: Physical sciences #Heat and Mass Transfer in Porous Media #Machine Learning (cs.LG)
  12. Instructions and Guide for Diagnostic Questions: The NeurIPS 2020 Education Challenge
    2020/07/23 by Zichao Wang, Angus Lamb, Wang, Zichao +21 · 6 citations
    Computer Science · Decision Sciences · #Advanced Bandit Algorithms Research #Computers and Society (cs.CY) #FOS: Computer and information sciences #Human-Computer Interaction (cs.HC) #Intelligent Tutoring Systems and Adaptive Learning #Machine Learning (cs.LG) #Machine Learning and Algorithms
  13. Deep Gaussian Processes for Regression using Approximate Expectation Propagation
    2016/02/12 by Thang D. Bui, Bui, Thang D., Daniel Hernández-Lobato +7 · 6 citations
    Computer Science · Engineering · #Control Systems and Identification #FOS: Computer and information sciences #Gaussian Processes and Bayesian Inference #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Target Tracking and Data Fusion in Sensor Networks
  14. Getting a CLUE: A Method for Explaining Uncertainty Estimates
    2020/06/11 by Javier Antorán, Antorán, Javier, Umang Bhatt +7 · 5 citations
    Computer Science · Decision Sciences · #Adversarial Robustness in Machine Learning #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Scientific Computing and Data Management
  15. Black-box α-divergence Minimization
    2015/11/10 by José Miguel Hernández-Lobato, Hernández-Lobato, José Miguel, Yingzhen Li +10 · 4 citations
    Computer Science · Engineering · #Gaussian Processes and Bayesian Inference #Neural Networks and Applications #Fault Detection and Control Systems
  16. On conditional diffusion models for PDE simulations
    2024/10/21 by Aliaksandra Shysheya, Shysheya, Aliaksandra, Cristiana Diaconu +11 · 12 citations
    Physics and Astronomy · Computer Science · #Model Reduction and Neural Networks #Gaussian Processes and Bayesian Inference #Machine Learning in Healthcare
  17. Parallel and Distributed Thompson Sampling for Large-scale Accelerated\n Exploration of Chemical Space
    2017/06/06 by José Miguel Hernández-Lobato, James Requeima, Hernández-Lobato, José Miguel +5 · 5 citations
    Computer Science · Decision Sciences · Engineering · #Advanced Bandit Algorithms Research #Advanced Multi-Objective Optimization Algorithms #FOS: Computer and information sciences #Fault Detection and Control Systems #Machine Learning (stat.ML) #Machine Learning and Algorithms #Machine Learning and Data Classification
  18. Barking up the right tree: an approach to search over molecule synthesis DAGs
    2020/12/21 by John Bradshaw, Bradshaw, John, Brooks Paige +7 · 5 citations
    Materials Science · Computer Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Protein Structure and Dynamics
  19. Bayesian Batch Active Learning as Sparse Subset Approximation
    2019/08/06 by Robert Pinsler, Pinsler, Robert, Jonathan Gordon +5 · 4 citations
    Computer Science · #Machine Learning and Algorithms #Gaussian Processes and Bayesian Inference #Algorithms and Data Compression
  20. Constrained Bayesian Optimization for Automatic Chemical Design
    2017/09/16 by Ryan‐Rhys Griffiths, José Miguel Hernández-Lobato, Griffiths, Ryan-Rhys +1 · 5 citations
    Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Advanced Multi-Objective Optimization Algorithms
  21. DOCKSTRING: easy molecular docking yields better benchmarks for ligand design
    2021/10/29 by Miguel García-Ortegón, Gregor N. C. Simm, García-Ortegón, Miguel +9 · 4 citations
    Computer Science · Materials Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
  22. Sample-Efficient Reinforcement Learning via Counterfactual-Based Data Augmentation
    2020/12/16 by Chaochao Lu, Lu, Chaochao, Biwei Huang +9 · 4 citations
    Computer Science · Decision Sciences · Mathematics · #Reinforcement Learning in Robotics #Advanced Bandit Algorithms Research #Advanced Causal Inference Techniques
  23. Action-Sufficient State Representation Learning for Control with Structural Constraints
    2021/10/12 by Biwei Huang, Chaochao Lu, Huang, Biwei +11 · 3 citations
    Computer Science · #Reinforcement Learning in Robotics #Explainable Artificial Intelligence (XAI) #Data Stream Mining Techniques
  24. A General Framework for Constrained Bayesian Optimization using Information-based Search
    2015/11/30 by José Miguel Hernández-Lobato, Hernández-Lobato, José Miguel, Michael A. Gelbart +7 · 2 citations
    Computer Science · #Advanced Multi-Objective Optimization Algorithms #FOS: Computer and information sciences #Gaussian Processes and Bayesian Inference #Machine Learning (stat.ML) #Machine Learning and Algorithms
  25. No Trick, No Treat: Pursuits and Challenges Towards Simulation-free Training of Neural Samplers
    2025/02/10 by Jiajun He, Yuanqi Du, He, Jiajun +13 · 9 citations
    Computer Science · Medicine · #Neural Networks and Applications #Explainable Artificial Intelligence (XAI) #Artificial Intelligence in Healthcare and Education
  26. Nonlinear Invariant Risk Minimization: A Causal Approach
    2021/02/24 by Chaochao Lu, Lu, Chaochao, Yuhuai Wu +5 · 3 citations
    Computer Science · #Bayesian Modeling and Causal Inference #Domain Adaptation and Few-Shot Learning #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning and Data Classification
  27. Training Neural Samplers with Reverse Diffusive KL Divergence
    2024/10/16 by Jiajun He, He, Jiajun, Wenlin Chen +7 · 6 citations
    Computer Science · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Neural Networks and Applications
  28. Retro-fallback: retrosynthetic planning in an uncertain world
    2023/10/13 by Austin Tripp, Tripp, Austin, Krzysztof Maziarz +7 · 3 citations
    Materials Science · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science
  29. Gaussian Process Conditional Copulas with Applications to Financial Time\n Series
    2013/07/01 by José Miguel Hernández-Lobato, James Robert Lloyd, Hernández-Lobato, José Miguel +3 · 2 citations
    Computer Science · Decision Sciences · Economics, Econometrics and Finance · Mathematics · Social Sciences · #FOS: Computer and information sciences #Financial Risk and Volatility Modeling #Forecasting Techniques and Applications #Gaussian Processes and Bayesian Inference #Insurance, Mortality, Demography, Risk Management #Machine Learning (stat.ML) #Statistical Methods and Inference #Time Series Analysis and Forecasting
  30. Bayesian Variational Autoencoders for Unsupervised Out-of-Distribution Detection
    2019/12/11 by Erik Daxberger, Daxberger, Erik, José Miguel Hernández-Lobato +1 · 2 citations
    Computer Science · #Adversarial Robustness in Machine Learning #Anomaly Detection Techniques and Applications #Gaussian Processes and Bayesian Inference
  31. BNEM: A Boltzmann Sampler Based on Bootstrapped Noised Energy Matching
    2024/09/15 by RuiKang OuYang, OuYang, RuiKang, Bo Qiang +3 · 4 citations
    Arts and Humanities · Engineering · #Artificial Intelligence (cs.AI) #Computation (stat.CO) #Diverse Musicological Studies #Energy Load and Power Forecasting #FOS: Computer and information sciences #Fuel Cells and Related Materials #Machine Learning (cs.LG) #Machine Learning (stat.ML)
  32. Scalable Gaussian Process Classification via Expectation Propagation
    2015/07/16 by Daniel Hernández-Lobato, Hernández-Lobato, Daniel, José Miguel Hernández-Lobato +1 · 1 citation
    Computer Science · #Advanced Multi-Objective Optimization Algorithms #FOS: Computer and information sciences #Gaussian Processes and Bayesian Inference #Machine Learning (stat.ML) #Target Tracking and Data Fusion in Sensor Networks
  33. Successor Uncertainties: Exploration and Uncertainty in Temporal Difference Learning
    2018/10/15 by David M. Janz, Jiri Hron, Janz, David +8 · 1 citation
    Computer Science · #Artificial Intelligence in Games #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Multimodal Machine Learning Applications #Reinforcement Learning in Robotics
  34. A Model to Search for Synthesizable Molecules
    2019/06/12 by John Bradshaw, Brooks Paige, Bradshaw, John +7 · 1 citation
    Biochemistry, Genetics and Molecular Biology · Computer Science · #Computational Drug Discovery Methods #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Microbial Metabolic Engineering and Bioproduction #Protein Structure and Dynamics
  35. FEAT: Free energy Estimators with Adaptive Transport
    2025/04/15 by Jiajun He, He, Jiajun, Yuanqi Du +12 · 1 voice · 4 citations
    Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Machine Learning in Materials Science #Quantum many-body systems #cs.LG #physics.chem-ph #physics.comp-ph #stat.ML
  36. Diagnosing and fixing common problems in Bayesian optimization for molecule design
    2024/06/11 by Austin Tripp, Tripp, Austin, José Miguel Hernández-Lobato +1 · 2 citations
    Computer Science · #Computational Drug Discovery Methods
  37. Improving Linear System Solvers for Hyperparameter Optimisation in Iterative Gaussian Processes
    2024/05/28 by Jihao Andreas Lin, Lin, Jihao Andreas, Shreyas Padhy +7 · 2 citations
    Computer Science · #Gaussian Processes and Bayesian Inference #Machine Learning and Data Classification
  38. Improving Antibody Design with Force-Guided Sampling in Diffusion Models
    2024/06/09 by Paulina Kulytė, Francisco Vargas, Kulytė, Paulina +9 · 1 citation
    Biochemistry, Genetics and Molecular Biology · Medicine · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Monoclonal and Polyclonal Antibodies Research #Protein purification and stability #Quantitative Methods (q-bio.QM) #Viral Infectious Diseases and Gene Expression in Insects
  39. Scalable Gaussian Processes with Latent Kronecker Structure
    2025/06/07 by Jihao Andreas Lin, Sebastian Ament, Lin, Jihao Andreas +9 · 3 citations
    Computer Science · Materials Science · #Gaussian Processes and Bayesian Inference #Machine Learning in Materials Science #Bayesian Modeling and Causal Inference
  40. There Was Never a Bottleneck in Concept Bottleneck Models
    2025/06/05 by Antonio Almudévar, Almudévar, Antonio, José Miguel Hernández-Lobato +3 · 1 citation
    Computer Science · #Bayesian Modeling and Causal Inference #Data Management and Algorithms #FOS: Computer and information sciences #Machine Learning (cs.LG)
  41. Accelerating Relative Entropy Coding with Space Partitioning
    2024/05/20 by Jiajun He, Gergely Flamich, He, Jiajun +3 · 1 citation
    Computer Science · #Advanced Data Compression Techniques #Blind Source Separation Techniques #FOS: Computer and information sciences #Image and Signal Denoising Methods #Information Theory (cs.IT) #Machine Learning (cs.LG)
  42. Ergodic Inference: Accelerate Convergence by Optimisation
    2018/05/25 by Yichuan Zhang, José Miguel Hernández-Lobato, Zhang, Yichuan +1 · 1 citation
    Computer Science · Mathematics · #Gaussian Processes and Bayesian Inference #Markov Chains and Monte Carlo Methods #Generative Adversarial Networks and Image Synthesis
  43. Causal Effect Estimation under Networked Interference without Networked Unconfoundedness Assumption
    2025/02/27 by Weilin Chen, Ruichu Cai, Chen, Weilin +7 · 1 citation
    Computer Science · Mathematics · #Advanced Causal Inference Techniques #Bayesian Modeling and Causal Inference #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
  44. Nonparametric Heterogeneous Long-term Causal Effect Estimation via Data Combination
    2025/02/26 by Weilin Chen, Ruichu Cai, Chen, Weilin +6 · 1 citation
    Computer Science · Mathematics · #Advanced Causal Inference Techniques #Bayesian Modeling and Causal Inference #FOS: Computer and information sciences #Machine Learning (cs.LG) #Statistical Methods and Inference
  45. PerturbPFN: Probing the Limits of Synthetic Priors in Drug Perturbation Modelling
    2026/07/26 by Yuche Gao, José Miguel Hernández-Lobato, Siyuan Guo
    #cs.LG