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    Machine Learning

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    Activation Functions
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    Towards Good Validation Metrics for Generative Models in Offline Model-Based Optimization
    Valence Labs

    Towards Good Validation Metrics for Generative Models in Offline Model-Based Optimization

    Roughness of Molecular Property Landscapes and Its Impact on Modellability
    Valence Labs

    Roughness of Molecular Property Landscapes and Its Impact on Modellability

    Towards Better Evaluation for Dynamic Link Prediction
    Valence Labs

    Towards Better Evaluation for Dynamic Link Prediction

    Crippen's logP as a Quantitative Molecular Benchmark for Explainable AI Heatmaps
    Valence Labs

    Crippen's logP as a Quantitative Molecular Benchmark for Explainable AI Heatmaps

    DiGress: Discrete Denoising Diffusion for Graph Generation
    Valence Labs

    DiGress: Discrete Denoising Diffusion for Graph Generation

    Pre-trained Ensembles for Bayesian Optimization of Protein Sequences
    Valence Labs

    Pre-trained Ensembles for Bayesian Optimization of Protein Sequences

    Unsupervised Learning of Group Invariant and Equivariant Representations
    Valence Labs

    Unsupervised Learning of Group Invariant and Equivariant Representations

    Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent
    Valence Labs

    Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent

    MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
    Valence Labs

    MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

    Introducing Bioptic - Machine Learning for Drug Discovery
    Valence Labs

    Introducing Bioptic - Machine Learning for Drug Discovery

    D-Flow: Differentiating through Flows for Controlled Generation
    Valence Labs

    D-Flow: Differentiating through Flows for Controlled Generation

    Learning to Group Auxiliary Datasets for Molecule Prediction
    Valence Labs

    Learning to Group Auxiliary Datasets for Molecule Prediction

    Smooth, Exact Rotational Symmetrization for Deep Learning on Point Clouds
    Valence Labs

    Smooth, Exact Rotational Symmetrization for Deep Learning on Point Clouds

    Uncovering and Inducing Interpretable Causal Structure in Deep Learning Models
    Valence Labs

    Uncovering and Inducing Interpretable Causal Structure in Deep Learning Models

    Local Search GFlowNets - Enhancing Sampling Quality for Drug Discovery
    Valence Labs

    Local Search GFlowNets - Enhancing Sampling Quality for Drug Discovery

    Mosaic-SDF for 3D Generative Models
    Valence Labs

    Mosaic-SDF for 3D Generative Models

    Diffusion Models for Sampling Rare Events in Chemistry
    Valence Labs

    Diffusion Models for Sampling Rare Events in Chemistry

    MultiDiffusion: Fusing Diffusion Paths for Controlled Image Generation
    Valence Labs

    MultiDiffusion: Fusing Diffusion Paths for Controlled Image Generation

    Additive Decoders for Latent Variables Identification
    Valence Labs

    Additive Decoders for Latent Variables Identification

    Generalization in Diffusion Models from Geometry-Adaptive Harmonic Representation
    Valence Labs

    Generalization in Diffusion Models from Geometry-Adaptive Harmonic Representation

    Manifold Diffusion Fields - Learning Generative Models of Continuous Functions on Riemannian Manifolds
    Valence Labs

    Manifold Diffusion Fields - Learning Generative Models of Continuous Functions on Riemannian Manifolds