Zhiyuan Li

Yixuan Zhang, Zhiyuan Li, Weijia He et al.

Target-oriented discovery under limited evaluation budgets requires making reliable progress in high-dimensional, heterogeneous design spaces where each new measurement is costly, whether experimental or high-fidelity simulation. We present an information-theoretic framework for target-oriented adaptive sampling that reframes optimization as trajectory discovery: instead of approximating the full response surface, the method maintains and refines a low-entropy information state that concentrates search on target-relevant directions. The approach couples data, model beliefs, and physics/structure priors through dimension-aware information budgeting, adaptive bootstrapped distillation over a heterogeneous surrogate reservoir, and structure-aware candidate manifold analysis with Kalman-inspired multi-model fusion to balance consensus-driven exploitation and disagreement-driven exploration. Evaluated under a single unified protocol without dataset-specific tuning, the framework improves sample efficiency and reliability across 14 single- and multi-objective materials design tasks spanning candidate pools from $600$ to $4 \times 10^6$ and feature dimensions from $10$ to $10^3$, typically reaching top-performing regions within 100 evaluations. Complementary 20-dimensional synthetic benchmarks (Ackley, Rastrigin, Schwefel) further demonstrate robustness to rugged and multimodal landscapes.

Wenshuai Zhao, Zhiyuan Li, Yi Zhao et al.

Diffusion models have shown remarkable success across a wide range of generative tasks. However, they often suffer from spatially inconsistent generation, arguably due to the inherent locality of their denoising mechanisms. This can yield samples that are locally plausible but globally inconsistent. To mitigate this issue, we propose sparsely supervised learning for diffusion models, a simple yet effective masking strategy that can be implemented with only a few lines of code. Interestingly, the experiments show that it is safe to mask up to 98\% of pixels during diffusion model training. Our method delivers competitive FID scores across experiments and, most importantly, avoids training instability on small datasets. Moreover, the masking strategy reduces memorization and promotes the use of essential contextual information during generation.