arXiv Machine Learning

Generalized Determinantal Point Processes for Attraction and Repulsion with Distinct Interaction Kernels

The paper introduces the determinant-ratio point process (DRPP), a new model that captures both attraction and repulsion in subset selection by using a ratio of determinants from two symmetric positive-definite kernels. DRPP retains the feature-based interpretability of standard determinantal point processes while allowing separate specification of attraction and repulsion effects. The authors provide an auxiliary-variable representation that enables efficient MCMC sampling and tractable expectation formulas, facilitating maximum-likelihood learning, and theoretically show that DRPP can realize clustered attraction with fewer parameters than nonsymmetric DPPs.

arXiv Machine Learning
Oct 12

Scalable Learning of Determinantal Point Processes with Kernel-Structured Interactions

The paper introduces a scalable approach to learning Determinantal Point Processes (DPPs) by modeling full‑rank interactions through a nonlinear kernel function and latent features. It proposes a surrogate function for maximum likelihood estimation and employs stochastic optimization with random features of the nonlinear kernel. Experiments on real‑world datasets show that this method improves the trade‑off between expressive power and computational scalability, achieving better generalization with fewer parameters.

By Takahiro Kawashima, Hideitsu Hino
arXiv Machine Learning
Aug 27

Simultaneous inference of environmental and interaction forces in collective dynamics

The paper presents a variational learning framework that simultaneously infers non‑parametric interaction kernels and environmental or intra‑agent forces in collective dynamics. It extends existing methods to handle both interaction and environmental components, validating the approach on benchmark models such as synchronization, alignment, and attraction‑repulsion systems. A model‑selection procedure is also introduced to identify the best explanatory framework from trajectory data, enabling direct recovery of mechanistic interaction mechanisms.

By Nipuni de Silva, Ming Zhong, James M. Greene
arXiv AI
Oct 7

CausalBind: Causal Modeling and Learning for Protein-Molecule Virtual Screening

CausalBind introduces a causal modeling framework for protein‑molecule virtual screening that focuses on sparse cross‑modality interactions rather than dense holistic alignment. By formalizing a V‑structure causal model with Heckman‑style selection, the authors prove that latent interaction concepts are identifiable only under sparsity constraints and propose three implementation variants. Experiments on DUD‑E and LIT‑PCBA benchmarks demonstrate that all variants outperform strong retrieval baselines, especially in early enrichment and out‑of‑distribution generalization.

By Loka Li, Jin Tian, Kun Zhang
arXiv Machine Learning
Oct 9

Transformed Samplers with Variance Reduction

The paper introduces Transformed Samplers with Variance Reduction, a method that extends exact control variate solutions from simple reference densities to general target distributions by learning a bijective change of variables, such as a normalizing flow. By training the flow to map the target close to the reference in latent space, the authors show that Markov kernels and their Poisson solutions transform accordingly, enabling explicit control variates in the latent space. The resulting estimator is consistent under mild tail conditions, and the approach also applies to importance sampling, with experiments demonstrating competitive performance against state‑of‑the‑art samplers and control variates.

By Siran Liu, Michalis Tisias, Petros Dellaportas
arXiv Machine Learning
Sep 2

When Metropolis and Hastings Meet Bradley and Terry: Exact MCMC From Preference Voting

The paper introduces Pref‑MH, an exact Metropolis‑Hastings sampler that uses only stochastic binary pairwise comparisons from judges to sample from distributions conditioned on desired semantic properties. By linking the MH density ratio to the preference odds of the Bradley‑Terry model, the authors devise an accept/reject rule that guarantees convergence to the target distribution. Experiments on text, molecular, and image generation with large‑language‑model and vision‑language‑model judges show Pref‑MH as a practical, flexible method for conditional sampling when comparative feedback is readily available.

By Ariel Smogorghevski, Nir Rosenfeld, Yaniv Romano
arXiv Machine Learning
Jun 26

A Generalization Theory for JEPA-Based World Models

arXiv:2606. 27014v1 Announce Type: new Abstract: Joint Embedding Predictive Architectures (JEPAs) have recently emerged as a promising paradigm for world modeling by learning predictive dynamics in a latent space rather than generating future observations at the input level.

By Jingyi Cui, Qi Zhang, Hongwei Wen, Yisen Wang