Z Zhenyu Ye

Zhuo Ye, Feng Zhang, Maxim Moraru et al.

Exa-PD is a highly parallelizable workflow designed for the construction of multi-element phase diagrams (PDs). It uses standard sampling techniques, molecular dynamics (MD) and Monte Carlo (MC) as implemented in the LAMMPS package, to simultaneously sample multiple phases over a fine temperature-composition mesh for free-energy calculations. Parsl serves as the global workflow engine, coordinating large ensembles of MD and MC tasks to achieve massive parallelization with strong scalability. The resulting free energies of liquid and solid phases are then fed to CALPHAD modeling via the PyCalphad package to construct multi-element PDs.

Ziwei Ye

What happens to an LLM agent's tool choice when the reliable tool silently changes within an ongoing session? We borrow set-shifting from cognitive psychology to study how well agents adapt to hidden reliability shifts. Our benchmark mounts tool-skill libraries with redundancies, where many tools solve the same task but differ in hidden reliability. In our evaluation framework, a branched schedule shifts the reliable tool group at hidden boundaries and pairs every shift with a no-shift control. We find that agents, by default, settle on a small recurring routine within a few turns of each boundary, with call shares concentrating on a few discrete values after each reliability shift. We score the set-shifting accuracy for each agent trajectory: the joint probability of routing to the target tool group in every post-shift window. We test open-weight LLMs in an open-source agentic harness and find qualitatively distinct failure modes across the same set of routines. We also find that set framing, how the toolset presents the alternatives as competing or complementary, shifts the routing dynamics.

Yingzhen Hu, Yiheng Zhong, Keying Zhu et al.

Prompt-free adaptation of the Segment Anything Model (SAM) has emerged as a promising paradigm for automatic medical image segmentation. Existing methods mainly focus on prompt generation, while overlooking that prompt quality is fundamentally constrained by the expressiveness of anatomical representations. However, deterministic prototypes or semantic tokens are insufficient to jointly capture global anatomical priors, intra-structure diversity, and local structural reliability. To address this limitation, we propose the Hierarchical Probabilistic Representation (HPR) framework, which learns complementary anatomical representations through Distributional Anatomical Representation (DAR), Multi-component Anatomical Representation (MAR), and Local Reliability Representation (LRR), and integrates their predictions via Hierarchical Prediction Fusion (HPF) while remaining compatible with the original SAM decoder. Experiments on the Synapse, LA, and PROMISE12 datasets demonstrate that HPR-SAM achieves state-of-the-art performance on Synapse and the best performance under few-shot settings on LA and PROMISE12, validating the effectiveness of the proposed hierarchical probabilistic representation learning framework for prompt-free medical image segmentation. Code is available at https://anonymous.4open.science/r/HPR-SAM-E4AF.