arXiv:2607. 00947v1 Announce Type: new Abstract: Generative models learn data distributions that reside on a low-dimensional manifold within a higher-dimensional ambient space.
arXiv:2607. 27431v1 Announce Type: new Abstract: Generative modeling of protein backbones promises the de novo design of proteins with prescribed structural and functional properties.
arXiv:2607. 22004v1 Announce Type: new Abstract: Energy natural gradient descent (ENGD) aligns parameter updates with the curvature of an underlying function-space energy, but existing formulations assume an unconstrained Euclidean parameter domain.
arXiv:2606. 08375v1 Announce Type: new Abstract: All-atom generative modeling of 3D biomolecular complexes has emerged as the dominant paradigm for predicting the structure of proteins and protein-ligand systems.
RW-Flow presents a new one‑step generative framework for data on compact manifolds, leveraging Wasserstein gradient flows. The authors derive a necessary and sufficient identifiability condition for velocity fields on compact, connected Riemannian manifolds, showing that a symmetric, Lipschitz‑continuous cost function yields identifiability iff its Gibbs kernel is nondegenerate. Experiments on geospatial events, protein and RNA torsion angles, and discretized manifolds demonstrate that RW‑Flow surpasses existing one‑step methods across most benchmark settings.
arXiv:2510.03095v4 Announce Type: replace Abstract: Diffusion- and flow-based generative models have recently demonstrated strong performance in protein backbone generation tasks, offering unpreceden...
arXiv:2510. 08906v2 Announce Type: replace-cross Abstract: Training set sampling methods are used to improve model performance and lower data costs in machine learning problems relevant to chemistry.
arXiv:2606. 27895v1 Announce Type: cross Abstract: Differentiable partial differential equation (PDE) solvers underpin solver-in-the-loop ML training, gradient-based optimal control, and inverse problems, yet the practical cost of obtaining correct, usable gradients from a given solver on a given problem is largely undocumented.
arXiv:2609.16805v1 Announce Type: new Abstract: High-capacity associative memories based on Kernel Logistic Regression (KLR) exhibit a "Ridge of Optimization" characterized by extreme stability and a...
arXiv:2410. 10137v5 Announce Type: replace Abstract: We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds.
arXiv:2607. 02834v1 Announce Type: new Abstract: Molecular optimization often starts from a pretrained generative model that captures a broad prior over valid molecular structures.
arXiv:2606. 11075v1 Announce Type: new Abstract: Aligning text-to-image flow matching models with human preferences via direct reward backpropagation is sample-efficient but hampered by two well-known pathologies: activations cannot be stored across the full sampling trajectory at modern model scale, and chained Jacobian products across steps inflate the reward gradient as it travels back to early indices.
arXiv:2609.05727v1 Announce Type: cross Abstract: We develop Newton Matching, a unified framework for fine-tuning and sampling in generative modeling. The target is $\pi\propto\mu e^{\tau r}$, where...