arXiv Machine Learning

Generative modelling powered by room-temperature polariton condensates

arXiv:2606. 15344v1 Announce Type: cross Abstract: Generative modelling requires efficient stochastic nonlinear transformations and physical platforms that can naturally realise them.

arXiv Machine Learning
Jul 21

Routing by Reaching: Composition of Pre-trained GFlowNets for Multi-Objective Generation

arXiv:2602. 21565v3 Announce Type: replace Abstract: Generative Flow Networks (GFlowNets) learn to sample diverse candidates in proportion to a reward function, making them well-suited for scientific discovery, where exploring multiple promising solutions is crucial.

By Seokwon Yoon, Youngbin Choi, Seunghyuk Cho, Seungbeom Lee, MoonJeong Park, Dongwoo Kim
arXiv Machine Learning
Aug 20

A Comprehensive Review of Large Language Models for Nanophotonics: From Surrogate Modeling to Autonomous Design

The review examines how Large Language Models (LLMs) enhance nanophotonics design by providing semantic interfaces, code generation, and tool orchestration. It traces the evolution from classical neural networks to transformer-based models and categorizes LLM applications into surrogate models that map structure to spectrum and agentic systems that generate code and orchestrate simulations for closed-loop optimization. The article also highlights potential cross-disciplinary uses of LLMs in materials science and wireless communications, and envisions future multimodal foundation models that actively collaborate in autonomous scientific discovery.

By Huanshu Zhang, Kegeng Tang, Lei Kang, Sawyer D. Campbell, Zihao Wang, Douglas H. Werner
arXiv AI
Sep 10

WildRelight: A Real-World Benchmark and Physics-Guided Adaptation for Single-Image Relighting

WildRelight is the first in-the-wild dataset designed to evaluate single-image relighting models, featuring high-resolution outdoor scenes captured under strictly aligned, temporally varying natural illuminations paired with high-dynamic-range environment maps. The benchmark demonstrates that state-of-the-art models trained on synthetic data suffer severe domain shifts when applied to real-world imagery. Leveraging the dataset’s temporal structure, the authors introduce a physics-guided inference framework combining Diffusion Posterior Sampling with Temporal Sampling-Aware Test-Time Adaptation, enabling synthetic models to self-supervise and align with real-world statistics on-the-fly.

By Lezhong Wang, Mehmet Onurcan Kaya, Siavash Bigdeli, Jeppe Revall Frisvad
arXiv Machine Learning
Jun 10

Synthesizable Molecular Generation via Soft-constrained GFlowNets with Rich Chemical Priors

arXiv:2602. 04119v2 Announce Type: replace Abstract: The application of generative models for experimental drug discovery campaigns is severely limited by the difficulty of designing molecules de novo that can be synthesized in practice.

By Hyeonah Kim, Minsu Kim, Celine Roget, Dionessa Biton, Louis Vaillancourt, Yves V. Brun, Yoshua Bengio, Alex Hernandez-Garcia
arXiv Machine Learning
1d ago

AI Emulation of Stochastic Sudden Stratospheric Warming with Interpretable Latent Structure

The paper presents a probabilistic deep learning emulator—a ResNet‑inspired Conditional Variational Autoencoder—for the stochastic Holton–Mass model of stratospheric variability, which exhibits rare transitions between strong and weak polar vortex regimes. The emulator accurately reproduces short‑term dynamics, steady‑state distributions, regime persistence, rare transition rates, the committor function, and expected lead times. Analysis of the 32‑dimensional latent space via PCA reveals an unsupervised separation into four physically interpretable clusters that correspond to the two vortex regimes and their stable or transition‑prone states.

By C. Daniel Boscu, Daniel Hernandez, Fabio Alvarez Ventura, Justin Finkel, Ashesh Chattopadhyay, Pedram Hassanzadeh, Dorian S. Abbot
Hugging Face Trending Papers
Jul 29

Equilibrium Training of Energy-Based Models with Parallel Trajectory Tempering

Energy-Based Models (EBMs) provide an interpretable framework for generative modeling of scientific data, but poor Markov Chain Monte Carlo mixing often limits their reliability. We introduce a training algorithm based on Parallel Trajectory Tempering (PTT), which exploits the continuity of the optimization path to maintain equilibrium sampling throughout learning.

arXiv Computer Vision
Sep 1

Coarse to Fine: Iterative Adversarial Neural Cellular Automata for Medical Image Synthesis

The paper introduces StyleGANCA, a lightweight neural cellular automata (NCA) based generative adversarial network designed for medical image synthesis. By combining a StyleGAN-inspired mapping network with adaptive style modulation in a multi-scale NCA framework, the model achieves high-quality image generation with far fewer parameters than existing adversarial, variational, diffusion, and NCA baselines. Experiments on BloodMNIST and PathMNIST show competitive FID and KID scores, and the synthetic images preserve class-specific information, effectively supporting downstream multi-class classifier training.

By Anh Thi Luu, Nick Lemke, Anirban Mukhopadhyay