15 citations · 29 across the 8 of their papers we have counts for
9 papers · 1 filter
FALCON: Few-step Accurate Likelihoods for Continuous Flows
Danyal Rehman, Tara Akhound-Sadegh, Artem Gazizov +2
Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann Generators tackle this problem by pairing a genera…
Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities
Tara Akhound-Sadegh, Jungyoon Lee, Avishek Joey Bose +7
Sampling efficiently from a target unnormalized probability density remains a core challenge, with relevance across countless high-impact scientific applications. A promising appro…
Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts
Marta Skreta, Tara Akhound-Sadegh, Viktor Ohanesian +6
While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner…
Symmetry-Aware Generative Modeling through Learned Canonicalization
Kusha Sareen, Daniel Levy, Arnab Kumar Mondal +3
Generative modeling of symmetric densities has a range of applications in AI for science, from drug discovery to physics simulations. The existing generative modeling paradigm for…
Sampling from Energy-based Policies using Diffusion
Vineet Jain, Tara Akhound-Sadegh, Siamak Ravanbakhsh
Energy-based policies offer a flexible framework for modeling complex, multimodal behaviors in reinforcement learning (RL). In maximum entropy RL, the optimal policy is a Boltzmann…
Sequence-Augmented SE(3)-Flow Matching For Conditional Protein Backbone Generation
Guillaume Huguet, James Vuckovic, Kilian Fatras +9
Proteins are essential for almost all biological processes and derive their diverse functions from complex 3D structures, which are in turn determined by their amino acid sequences…
Iterated Denoising Energy Matching for Sampling from Boltzmann Densities
Tara Akhound-Sadegh, Jarrid Rector-Brooks, Avishek Joey Bose +9
Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-body systems, is a foundational problem…
Lie Point Symmetry and Physics Informed Networks
Tara Akhound-Sadegh, Laurence Perreault-Levasseur, Johannes Brandstetter +2
Symmetries have been leveraged to improve the generalization of neural networks through different mechanisms from data augmentation to equivariant architectures. However, despite t…
SE(3)-Stochastic Flow Matching for Protein Backbone Generation
Avishek Joey Bose, Tara Akhound-Sadegh, Guillaume Huguet +7
The computational design of novel protein structures has the potential to impact numerous scientific disciplines greatly. Toward this goal, we introduce FoldFlow, a series of novel…