activity
20242026
most citedChemBOMAS: Accelerated BO in Chemistry with LLM-Enhanced Multi-Agent System

1 citations · 1 across the 10 of their papers we have counts for

collaborators

13 papers

cs.LG2026

Minimal Witness Reinforcement Learning

T. Y. Tsui, Zihao Ye, Pengxiang Cai +3

``What are the irreducible conditions that are sufficient to produce an outcome?'' is one of the most common questions that recur across computation and science. Its answers, the m…

cs.AI2026

Robust Biomolecular Complex Design Across Protein Conformational Landscapes

Qingyuan Zeng, Zongqi Xu, Anglin Liu +7

Proteins populate conformational ensembles, yet structure-based biomolecular design typically optimizes candidates against a single target conformation. Consequently, a candidate t…

cs.AI2026

BIRD: Distilling Decision Boundaries into Rationales for MLLM Adaptation

Anglin Liu, Yanlin Wu, Ruichao Chen +6

Adapting general-purpose multimodal large language models (MLLMs) to specialized domains requires learning domain-specific decision criteria, which often hinge on subtle visual dis…

cs.AI2026

PATH: Next-Interval Prediction via Autoregressive Tree Hierarchy on Tabular Data

Pengxiang Cai, Wanchen Lian, Chenyang Liu +4

Interval prediction aims to achieve a target coverage level while producing intervals that are as short as possible. Many conformal regression pipelines first predict an uncertaint…

cs.AI2026

JustLLMGRPO: Radiographic Control for Chest X-Ray Generation

Pengxiang Cai, Xiaohan Li, Anglin Liu +3

Text-conditioned chest X-ray generation aims to synthesize realistic radiographs that faithfully depict specified findings. Existing work has primarily improved quality by updating…

cs.LG2026

Curriculum Reinforcement Learning Can Incentivize Reasoning Capacity in LLMs Beyond the Base Model

Pengxiang Cai, Tianchen Fang, Xiaohan Li +3

Reinforcement learning with verifiable rewards (RLVR) is widely viewed as a promising path toward continuously improving large language models. Recent works, however, suggest that…

cs.AI2026

Can Broad Biomedical Knowledge be Contextualized into Scenario-Grounded Propositions?

Qingyuan Zeng, Ziyang Chen, Pengxiang Cai +5

Biomedical discovery often requires connecting broad biomedical knowledge with specific experimental or clinical data. Background knowledge suggests relevant mechanisms but is usua…

cs.LG2026

Don't Retrain, Just Reuse: Recovering Dual-Target Molecules from Single-Target Diffusion Models

Qingyuan Zeng, Pengxiang Cai, Zixin Guan +4

Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation beca…

cs.CV2026

MS-CustomNet: Controllable Multi-Subject Customization with Hierarchical Relational Semantics

Pengxiang Cai, Mengyang Li

Diffusion-based text-to-image generation has advanced significantly, yet customizing scenes with multiple distinct subjects while maintaining fine-grained control over their intera…

cs.LG2025

Strengthening LLMs for Tabular Prediction with Structural Priors

Pengxiang Cai, Zihao Gao, Wanchen Lian +2

Tabular prediction has long been dominated by gradient-boosted decision trees and specialized deep tabular models, while large language models (LLMs) remain difficult to make compe…

cs.LG2025★ 1 cited

ChemBOMAS: Accelerated BO in Chemistry with LLM-Enhanced Multi-Agent System

Dong Han, Zhehong Ai, Pengxiang Cai +16

Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Her…

cs.CV2024

Auto DragGAN: Editing the Generative Image Manifold in an Autoregressive Manner

Pengxiang Cai, Zhiwei Liu, Guibo Zhu +2

Pixel-level fine-grained image editing remains an open challenge. Previous works fail to achieve an ideal trade-off between control granularity and inference speed. They either fai…

cs.CV2024

PFDM: Parser-Free Virtual Try-on via Diffusion Model

Yunfang Niu, Dong Yi, Lingxiang Wu +3

Virtual try-on can significantly improve the garment shopping experiences in both online and in-store scenarios, attracting broad interest in computer vision. However, to achieve h…