arXiv:2512. 10339v2 Announce Type: replace Abstract: Inference-time steering adapts pretrained diffusion and flow models to new tasks without retraining, often utilizing ratio-of-densities constructions that reweight time-indexed marginals with fixed exponents.
arXiv:2607. 19725v1 Announce Type: new Abstract: Classifier-free guidance (CFG) is the default mechanism for conditional generation in diffusion models, but the distribution sampled by its deterministic guided dynamics is not captured by the usual product-distribution heuristic $p_0^\omega q_0^{1-\omega}$.
arXiv:2606. 08802v1 Announce Type: new Abstract: Standard flow and diffusion pre-training matches the distribution of available data (e.
Classifier-free guidance (CFG) is the default mechanism for conditional generation in diffusion models, but the distribution sampled by its deterministic guided dynamics is not captured by the usual product-distribution heuristic $p_0^ωq_0^{1-ω}$. We analyze CFG through the probability flow ODE and derive exact analytic path-integral representations of the induced distributions for both constant and time-dependent guidance.
arXiv:2606. 08953v1 Announce Type: new Abstract: Modern generative models often define an entire probability path from a simple prior to the data law, rather than only an endpoint map.
arXiv:2606. 23920v1 Announce Type: cross Abstract: The task of compositional generation involves using a conditional generative model, trained only on a subset of the possible conditions, to produce samples from compositionally-defined target distributions such as a geometric combination of the source distributions.
arXiv:2605. 25681v2 Announce Type: replace-cross Abstract: Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation because one candidate must satisfy two binding requirements while preserving drug-likeness and synthesizability.
arXiv:2608. 15144v1 Announce Type: cross Abstract: Posterior sampling with a pretrained diffusion prior is governed by a conditional score whose intermediate likelihood component is generally intractable.
arXiv:2606. 01220v1 Announce Type: cross Abstract: Generating molecules that simultaneously satisfy drug-like properties and conform to the 3D structure of a target protein is a core challenge in structure-based drug design (SBDD).
arXiv:2607. 09039v1 Announce Type: new Abstract: The ability to generate variable-length proteins is crucial in protein design, where the optimal length is often unknown and tightly coupled to designability.
arXiv:2607. 03671v1 Announce Type: cross Abstract: Models of complex systems often have many parameters, yet are constrained by far fewer experimentally accessible observables: similar activity can emerge from coordinated parameter changes.
arXiv:2608. 14293v1 Announce Type: cross Abstract: High-content microscopy enables systematic profiling of cellular responses to chemical perturbations, but the scale of the chemical space makes exhaustive phenotypic characterization experimentally infeasible.
arXiv:2608. 12438v1 Announce Type: new Abstract: We formulate generative modeling as a path integral in which flow-based, diffusion-based, variational, and adversarial models arise as different evaluation principles for a single master action.