11 citations · 11 across the 10 of their papers we have counts for
10 papers
Few-step Cofolding with All-Atom Flow Maps
Gianluca Scarpellini, Ron Shprints, Peter Holderrieth +7
All-atom generative modeling of 3D biomolecular complexes has emerged as the dominant paradigm for predicting the structure of proteins and protein-ligand systems. Generating struc…
Discrete Flow Maps
Peter Potaptchik, Jason Yim, Adhi Saravanan +3
The sequential nature of autoregressive next-token prediction imposes a fundamental speed limit on large language models. While continuous flow models offer a path to parallel gene…
FragmentFlow: Scalable Transition State Generation for Large Molecules
Ron Shprints, Peter Holderrieth, Juno Nam +2
Transition states (TSs) are central to understanding and quantitatively predicting chemical reactivity and reaction mechanisms. Although traditional TS generation methods are compu…
Diamond Maps: Efficient Reward Alignment via Stochastic Flow Maps
Peter Holderrieth, Douglas Chen, Luca Eyring +7
Flow and diffusion models produce high-quality samples, but adapting them to user preferences or constraints post-training remains costly and brittle, a challenge commonly called r…
GLASS Flows: Transition Sampling for Alignment of Flow and Diffusion Models
Peter Holderrieth, Uriel Singer, Tommi Jaakkola +3
The performance of flow matching and diffusion models can be greatly improved at inference time using reward alignment algorithms, yet efficiency remains a major limitation. While…
LEAPS: A discrete neural sampler via locally equivariant networks
Peter Holderrieth, Michael S. Albergo, Tommi Jaakkola
We propose "LEAPS", an algorithm to sample from discrete distributions known up to normalization by learning a rate matrix of a continuous-time Markov chain (CTMC). LEAPS can be se…
Flow Matching Guide and Code
Yaron Lipman, Marton Havasi, Peter Holderrieth +7
Flow Matching (FM) is a recent framework for generative modeling that has achieved state-of-the-art performance across various domains, including image, video, audio, speech, and b…
Flow Matching with General Discrete Paths: A Kinetic-Optimal Perspective
Neta Shaul, Itai Gat, Marton Havasi +6
The design space of discrete-space diffusion or flow generative models are significantly less well-understood than their continuous-space counterparts, with many works focusing onl…
Hamiltonian Score Matching and Generative Flows
Peter Holderrieth, Yilun Xu, Tommi Jaakkola
Classical Hamiltonian mechanics has been widely used in machine learning in the form of Hamiltonian Monte Carlo for applications with predetermined force fields. In this work, we e…
Generator Matching: Generative modeling with arbitrary Markov processes
Peter Holderrieth, Marton Havasi, Jason Yim +6
We introduce Generator Matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Ma…