{"id":186,"date":"2025-04-15T12:14:20","date_gmt":"2025-04-15T12:14:20","guid":{"rendered":"https:\/\/valancelabs.digitalhero.uk.com\/?page_id=186"},"modified":"2025-04-15T12:14:52","modified_gmt":"2025-04-15T12:14:52","slug":"research","status":"publish","type":"page","link":"https:\/\/valancelabs.digitalhero.uk.com\/fr\/research\/","title":{"rendered":"Publications"},"content":{"rendered":"
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\n \"Publication\n<\/div>\n
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\n Research <\/div>\n

\n Publications
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All<\/div>\n <\/div>\n\n
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\n mai 13th, 2025 <\/div>\n
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Virtual Cells: Predict, Explain, Discover<\/h5>\n
\n Drug discovery is fundamentally a process of inferring the effects of treatments on patients, and would therefore benefit immensely from … <\/div>\n <\/div>\n
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\n d\u00e9cembre 8th, 2024 <\/div>\n
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Implicit Delta Learning of High Fidelity Neural Network Potentials<\/h5>\n <\/div>\n
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\n novembre 1st, 2024 <\/div>\n
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QGFN: Controllable Greediness with Action Values<\/h5>\n <\/div>\n
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\n octobre 29th, 2024 <\/div>\n
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ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation<\/h5>\n <\/div>\n
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\n octobre 26th, 2024 <\/div>\n
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SAFE setup for generative molecular design<\/h5>\n <\/div>\n
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\n octobre 17th, 2024 <\/div>\n
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Benchmarking Transcriptomics Foundation Models for Perturbation Analysis : one PCA still rules them all<\/h5>\n <\/div>\n
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\n octobre 14th, 2024 <\/div>\n
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Graph Classification Gaussian Processes via Hodgelet Spectral Features<\/h5>\n <\/div>\n
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\n octobre 8th, 2024 <\/div>\n
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Batched Bayesian optimization with correlated candidate uncertainties<\/h5>\n <\/div>\n
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\n octobre 4th, 2024 <\/div>\n
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A call for an industry-led initiative to critically assess machine learning for real-world drug discovery<\/h5>\n <\/div>\n
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\n septembre 11th, 2024 <\/div>\n
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On the Scalability of GNNs for Molecular Graphs<\/h5>\n <\/div>\n
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\n septembre 11th, 2024 <\/div>\n
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Automated Discovery of Pairwise Interactions from Unstructured Data<\/h5>\n <\/div>\n
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\n septembre 10th, 2024 <\/div>\n
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How Molecules Impact Cells: Unlocking Contrastive PhenoMolecular Retrieval<\/h5>\n <\/div>\n
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\n juin 10th, 2024 <\/div>\n
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Graph Positional and Structural Encoder<\/h5>\n <\/div>\n
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\n juin 2nd, 2024 <\/div>\n
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Learning to Scale Logits for Temperature-Conditional GFlowNets<\/h5>\n <\/div>\n
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\n mai 31st, 2024 <\/div>\n
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Amortizing intractable inference in diffusion models for vision, language, and control<\/h5>\n <\/div>\n
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\n avril 2nd, 2024 <\/div>\n
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Propensity Score Alignment for Unpaired Multimodal Data<\/h5>\n <\/div>\n
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\n mars 30th, 2024 <\/div>\n
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Targeted Sequential Indirect Experiment Design<\/h5>\n <\/div>\n
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\n mars 27th, 2024 <\/div>\n
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Discrete Probabilistic Inference as Control in Multi-path Environments<\/h5>\n <\/div>\n
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\n novembre 6th, 2023 <\/div>\n
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DGFN: Double Generative Flow Networks<\/h5>\n <\/div>\n
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\n novembre 2nd, 2023 <\/div>\n
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Generating QM1B with PySCFipu<\/h5>\n <\/div>\n
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\n octobre 30th, 2023 <\/div>\n
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Role of Structural and Conformational Diversity for Machine Learning Potentials<\/h5>\n <\/div>\n
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\n octobre 27th, 2023 <\/div>\n
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Latent Space Simulator for Unveiling Molecular Free Energy Landscapes and Predicting Transition Dynamics<\/h5>\n <\/div>\n
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\n octobre 18th, 2023 <\/div>\n
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Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets<\/h5>\n <\/div>\n
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\n octobre 16th, 2023 <\/div>\n
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Gotta be SAFE: A New Framework for Molecular Design<\/h5>\n <\/div>\n
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\n juillet 14th, 2023 <\/div>\n
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Graph Positional and Structural Encoder<\/h5>\n <\/div>\n
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\n juin 7th, 2023 <\/div>\n
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Goal-conditioned GFlowNets for Controllable Multi-Objective Molecular Design<\/h5>\n <\/div>\n
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\n juin 5th, 2023 <\/div>\n
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Real-World Molecular Out-Of-Distribution: Specification and Investigation<\/h5>\n <\/div>\n
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\n mai 26th, 2023 <\/div>\n
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UNSAT Solver Synthesis via Monte Carlo Forest Search<\/h5>\n <\/div>\n
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\n mai 11th, 2023 <\/div>\n
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Towards Understanding and Improving GFlowNet Training<\/h5>\n <\/div>\n
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\n mars 6th, 2023 <\/div>\n
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MoDTI: Modular Framework For Evaluating Inductive Biases in DTI Modeling<\/h5>\n <\/div>\n
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\n mars 6th, 2023 <\/div>\n
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Task-Agnostic Graph Neural Network Evaluation via Adversarial Collaboration<\/h5>\n <\/div>\n
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\n f\u00e9vrier 11th, 2023 <\/div>\n
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Sequential Underspecified Instrument Selection for Cause-Effect Estimation<\/h5>\n <\/div>\n
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\n f\u00e9vrier 9th, 2023 <\/div>\n
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Helixer\u2013de novo Prediction of Primary Eukaryotic Gene Models Combining Deep Learning and a Hidden Markov Model<\/h5>\n <\/div>\n
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\n f\u00e9vrier 8th, 2023 <\/div>\n
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DynGFN: Bayesian Dynamic Causal Discovery Using Generative Flow Networks<\/h5>\n <\/div>\n
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\n f\u00e9vrier 1st, 2023 <\/div>\n
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GFlowNets for AI-driven Scientific Discovery<\/h5>\n <\/div>\n
\n \n \n <\/svg>\n <\/div>\n <\/div>\n <\/a>\n \n
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\n novembre 7th, 2022 <\/div>\n
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Object-centric Causal Representation Learning<\/h5>\n <\/div>\n
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\n octobre 29th, 2022 <\/div>\n
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Object-centric architectures enable efficient causal representation learning<\/h5>\n <\/div>\n
\n \n \n <\/svg>\n <\/div>\n <\/div>\n <\/a>\n \n
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\n octobre 23rd, 2022 <\/div>\n
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Multi-Objective GFlowNets<\/h5>\n <\/div>\n
\n \n \n <\/svg>\n <\/div>\n <\/div>\n <\/a>\n \n
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\n septembre 26th, 2022 <\/div>\n
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Learning GFlowNets From Partial Episodes for Improved Convergence and Stability<\/h5>\n <\/div>\n
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\n juillet 9th, 2022 <\/div>\n
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Leveraging Structure Between Environments: Phylogenetic Regularization Incentivizes Disentangled Representations<\/h5>\n <\/div>\n
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\n juin 16th, 2022 <\/div>\n
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Long Range Graph Benchmark<\/h5>\n <\/div>\n
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\n juin 2nd, 2022 <\/div>\n
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Weakly Supervised Representation Learning with Sparse Perturbations<\/h5>\n <\/div>\n
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\n mai 25th, 2022 <\/div>\n
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Recipe for a General, Powerful, Scalable Graph Transformer<\/h5>\n <\/div>\n
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\n octobre 29th, 2021 <\/div>\n
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Properties From Mechanisms: an Equivariance Perspective on Identifiable Representation Learning<\/h5>\n <\/div>\n
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\n octobre 8th, 2021 <\/div>\n
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3D Infomax improves GNNs for Molecular Property Prediction<\/h5>\n <\/div>\n
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\n octobre 4th, 2021 <\/div>\n
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On the Robustness of Generalization of Drug\u2013Drug Interaction Models<\/h5>\n <\/div>\n
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\n juin 7th, 2021 <\/div>\n
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Rethinking Graph Transformers with Spectral Attention<\/h5>\n <\/div>\n
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\n d\u00e9cembre 16th, 2020 <\/div>\n
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Helixer: Cross-species Gene Annotation of Large Eukaryotic Genomes Using Deep Learning<\/h5>\n <\/div>\n
\n \n \n <\/svg>\n <\/div>\n <\/div>\n <\/a>\n \n
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\n d\u00e9cembre 15th, 2020 <\/div>\n
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Molecular Design in Synthetically Accessible Chemical Space via Deep Reinforcement Learning<\/h5>\n <\/div>\n
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\n octobre 6th, 2020 <\/div>\n
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Directional Graph Networks<\/h5>\n <\/div>\n
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\n mai 16th, 2020 <\/div>\n
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Geodesics in Fibered Latent Spaces: A Geometric Approach to Learning Correspondences Between Conditions<\/h5>\n <\/div>\n
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\n avril 12th, 2020 <\/div>\n
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Principal Neighbourhood Aggregation for Graph Nets<\/h5>\n <\/div>\n
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\n mai 28th, 2019 <\/div>\n
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Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling<\/h5>\n <\/div>\n
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\n mai 28th, 2019 <\/div>\n
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Adaptive Deep Kernel Learning<\/h5>\n <\/div>\n
\n \n \n <\/svg>\n <\/div>\n <\/div>\n <\/a>\n <\/div>\n <\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-186","page","type-page","status-publish","hentry"],"yoast_head":"\nPublications - Valance Labs<\/title>\n\n\n\n\n\n\n\n\n\t\n\t\n\t\n\n