Tommi S. Jaakkola

Conformal Language Modeling ICLR 2024 Deep Confident Steps to New Pockets: Strategies for Docking Generalization ICLR 2024 Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms ICLR 2024 Improving protein optimization with smoothed fitness landscapes ICLR 2024 MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design ICLR 2024 Particle Guidance: non-I.I.D. Diverse Sampling with Diffusion Models ICLR 2024 Removing Biases from Molecular Representations via Information Maximization ICLR 2024 DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking ICLR 2023 Diffusion Probabilistic Modeling of Protein Backbones in 3D for the motif-scaffolding problem ICLR 2023 Efficiently Controlling Multiple Risks with Pareto Testing ICLR 2023 Is Conditional Generative Modeling all you need for Decision Making? ICLR 2023 Stable Target Field for Reduced Variance Score Estimation in Diffusion Models ICLR 2023 Adversarial Support Alignment ICLR 2022 Controlling Directions Orthogonal to a Classifier ICLR 2022 Crystal Diffusion Variational Autoencoder for Periodic Material Generation ICLR 2022 Fundamental Limits and Tradeoffs in Invariant Representation Learning JMLR 2022 Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking ICLR 2022 Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design ICLR 2022 Efficient Conformal Prediction via Cascaded Inference with Expanded Admission ICLR 2021 Oblique Decision Trees from Derivatives of ReLU Networks ICLR 2020 Bidirectional Inference Networks:A Class of Deep Bayesian Networks for Health Profiling AAAI 2019 Towards Optimal Transport with Global Invariances AISTATS 2019 Towards Robust, Locally Linear Deep Networks ICLR 2019 Learning Sleep Stages from Radio Signals: A Conditional Adversarial Architecture ICML 2017 Convergence Rate Analysis of MAP Coordinate Minimization Algorithms NeurIPS 2012 More data means less inference: A pseudo-max approach to structured learning NeurIPS 2010 Clusters and Coarse Partitions in LP Relaxations NeurIPS 2008 Fixing Max-Product: Convergent Message Passing Algorithms for MAP LP-Relaxations NeurIPS 2007 New Outer Bounds on the Marginal Polytope NeurIPS 2007 Approximate inference using planar graph decomposition NeurIPS 2006 Game Theoretic Algorithms for Protein-DNA binding NeurIPS 2006 Parameter Expanded Variational Bayesian Methods NeurIPS 2006 Predictive Discretization during Model Selection AISTATS 1999