Y. Liu

Ping Chen, Daoxuan Zhang, Xiangming Wang et al.

Precise Text-to-Image (T2I) generation has achieved great success but is hindered by the limited relational reasoning of static text encoders and the error accumulation in open-loop sampling. Without real-time feedback, initial semantic ambiguities during the Ordinary Differential Equation trajectory inevitably escalate into stochastic deviations from spatial constraints. To bridge this gap, we introduce AFS-Search (Agentic Flow Steering and Parallel Rollout Search), a training-free closed-loop framework built upon FLUX.1-dev. AFS-Search incorporates a training-free closed-loop parallel rollout search and flow steering mechanism, which leverages a Vision-Language Model (VLM) as a semantic critic to diagnose intermediate latents and dynamically steer the velocity field via precise spatial grounding. Complementarily, we formulate T2I generation as a sequential decision-making process, exploring multiple trajectories through lookahead simulations and selecting the optimal path based on VLM-guided rewards. Further, we provide AFS-Search-Pro for higher performance and AFS-Search-Fast for quicker generation. Experimental results show that our AFS-Search-Pro greatly boosts the performance of the original FLUX.1-dev, achieving state-of-the-art results across three different benchmarks. Meanwhile, AFS-Search-Fast also significantly enhances performance while maintaining fast generation speed.

Yanjun Liu, Milena Jovanovic, Krishnanand Mallayya et al.

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits limitations of such data: mismatch with experiments. On the other hand, experimental decisions are often guided by an expert's intuition honed from experiences that are rarely articulated. We propose using machine learning to "bottle" such operational intuition into quantifiable descriptors using expertly curated measurement-based data. We introduce "Materials Expert-Artificial Intelligence" (ME-AI) to encapsulate and articulate this human intuition. As a first step towards such a program, we focus on the topological semimetal (TSM) among square-net materials as the property inspired by the expert-identified descriptor based on structural information: the tolerance factor. We start by curating a dataset encompassing 12 primary features of 879 square-net materials, using experimental data whenever possible. We then use Dirichlet-based Gaussian process regression using a specialized kernel to reveal composite descriptors for square-net topological semimetals. The ME-AI learned descriptors independently reproduce expert intuition and expand upon it. Specifically, new descriptors point to hypervalency as a critical chemical feature predicting TSM within square-net compounds. Our success with a carefully defined problem points to the "machine bottling human insight" approach as promising for machine learning-aided material discovery.