arXiv subjects

Pengxiang Cai

Publications and source records attributed to Pengxiang Cai.

10 recordsLinked to original sources

arXiv2026

JustLLMGRPO: Radiographic Control for Chest X-Ray Generation

Text-conditioned chest X-ray generation aims to synthesize realistic radiographs that faithfully depict specified findings. Existing work has primarily improved quality by updating image generators, implicitly treating prompts as fixed after CXR-domain adaptation. We show that this generator-centric view leaves a substantial optimization dimension underexplored. With a CXR-adapted Sana generator frozen, one-pass reformulation by an unmodified LLM reduces RadDINO-FID from 54.225 to 27.572. Prompt analysis shows that the LLM suppresses temporal comparisons, uncertainty, and other non-renderable report content while emphasizing visible radiographic findings. However, unconstrained reformulation reduces BioViL-T alignment with source prompts from 0.695 to 0.609. We therefore introduce JustLLMGRPO, which applies standard Group Relative Policy Optimization (GRPO) only to the LLM prompt policy while keeping Sana frozen. Group-relative radiology-aware image feedback retains visual focus while preserving source-prompt alignment. On CheXGenBench, JustLLMGRPO reduces RadDINO-FID to 26.780, a 50.6% improvement over direct prompting, while maintaining alignment (0.696 versus 0.695). It also achieves state-of-the-art distribution coverage and downstream classification utility. These results show that substantial performance can remain latent in how radiographic information is expressed to an adapted generator. Code is publicly available at https://github.com/pxcai/JustLLMGRPO.

cs.AI↗

arXiv2026

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

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 uncertainty surrogate and then convert it into an interval through calibration or selection. This separation supports coverage calibration, but post hoc rules largely determine the final interval and do not fully use the learned output distribution. We observe that the resulting intervals have inherently hierarchical geometry: an interval can be recursively refined into nested subintervals, and binary trees naturally represent this structure. We formulate this hierarchy as next-interval prediction and propose PATH, which learns how probability mass flows from each interval to its next nested subintervals. PATH predicts a base leaf distribution and uses an autoregressive decoder to refine branch probabilities. Matching the distribution to the interval hierarchy aligns learning with extraction: PATH accumulates probability over adjacent output intervals and returns the shortest contiguous range reaching a selected mass. We compare PATH with 24 baselines for interval prediction on PATHBench, comprising 56 OpenML regression datasets. PATH substantially shortens the resulting intervals, achieving the lowest mean normalized length, 0.1473, while maintaining mean coverage of 0.9144. These results establish hierarchical output modeling as an effective approach for compact interval prediction on tabular data. Code is publicly available at https://github.com/pxcai/PATH.

cs.AI↗

arXiv2026

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

Reinforcement learning with verifiable rewards (RLVR) is widely viewed as a promising path toward continuously improving large language models. Recent works, however, suggest that mainstream RLVR often reallocates sampling probabilities among trajectories already present in the base model: it can improve sampling efficiency, reflected by higher pass@1 scores, but yields limited gains, and can even decrease pass@k scores when k is large, and therefore may fail to expand the base model's reasoning capacity boundary. In this paper, we present a boundary-aware Curriculum RL approach to move beyond the base model's reasoning capacity boundary. Our approach first uses pass@k sampling to locate the current reasoning capacity boundary, then applies targeted teacher guidance to examples near or beyond that boundary, and finally uses RL to consolidate the newly introduced reasoning patterns. Across Qwen, Llama, and DeepSeek base models, boundary-aware Curriculum RL improves both pass@1 scores and pass@256 scores, with pass@1 reflecting one-attempt performance and pass@256 serving as an empirical proxy for the reasoning capacity boundary. In our experiments, average pass@256 improves by 9.8 percentage points over the base models and by 10.3 percentage points over Vanilla RLVR. These results suggest that boundary-aware Curriculum RL can provide a scalable route for LLMs to continuously improve beyond the base model's empirical reasoning capacity boundary.

cs.LG↗

arXiv2026

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

Biomedical discovery often requires connecting broad biomedical knowledge with specific experimental or clinical data. Background knowledge suggests relevant mechanisms but is usually too general to map directly onto dataset variables, while data-driven patterns can be dataset-specific and hard to interpret mechanistically. We study this missing link as knowledge contextualization: transforming broad biomedical knowledge into evidence-supported, scenario-grounded propositions that domain experts can inspect, replay, and validate. We propose SCENE, a bi-level multi-agent framework that treats knowledge contextualization as iterative search. The upper level converts broad knowledge into search directions and grounds them in the dataset schema. The lower level executes these directions through multi-objective optimization to identify concrete propositions that balance evidential strength and data support. Feedback between the two levels progressively refines the search. We evaluate SCENE in two settings: discovering patient subgroups with heterogeneous treatment benefits in clinical trial scenarios, and identifying context-specific biological responses in LINCS L1000 studies. In clinical trials, SCENE discovers specific, well-supported subgroups and outperforms existing baselines. In L1000 studies, SCENE identifies perturbational contexts with strong target-response matching and high positive rates. These results show that SCENE bridges broad knowledge and scenario-specific evidence, producing traceable, inspectable hypotheses for follow-up validation.

cs.AI↗

arXiv2026

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

Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation because one candidate must satisfy two binding requirements while preserving drug-likeness and synthesizability. Existing dual-target generative methods typically introduce dual-target capability by either retraining the generator or intervening in the diffusion process during sampling. The former can be costly and difficult to stabilize when dual-target supervision is sparse, while the latter may be sensitive to denoising-time target balancing and competing update directions. These limitations motivate a generator-preserving alternative that keeps the pretrained prior intact: can dual-target candidates instead be recovered from the input space of a frozen single-target diffusion model, without modifying its parameters or denoising dynamics? We formulate this task as a constrained multi-objective optimization problem and propose REUSE, which evolves the input noise of a frozen diffusion generator rather than molecular structures. Each input is decoded multiple times and scored by the collective quality of the generated molecular family. Candidates are then screened progressively: lower-cost evaluations prioritize molecules satisfying chemical-feasibility criteria, full docking is reserved for a reduced frontier, and the survivors are jointly selected as a diverse panel with strong affinity to both targets. Experiments show that REUSE achieves stronger and more balanced dual-target recovery than prior dual-target baselines, improving Dual High Affinity by 21.1 percentage points over the strongest prior baseline while retaining QED and SA profiles consistent with commonly used chemical-feasibility criteria.

cs.LG↗

arXiv2026

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

Diffusion-based text-to-image generation has advanced significantly, yet customizing scenes with multiple distinct subjects while maintaining fine-grained control over their interactions remains challenging. Existing methods often struggle to provide explicit user-defined control over the compositional structure and precise spatial relationships between subjects. To address this, we introduce MS-CustomNet, a novel framework for multi-subject customization. MS-CustomNet allows zero-shot integration of multiple user-provided objects and, crucially, empowers users to explicitly define these hierarchical arrangements and spatial placements within the generated image. Our approach ensures individual subject identity preservation while learning and enacting these user-specified inter-subject compositions. We also present the MSI dataset, derived from COCO, to facilitate training on such complex multi-subject compositions. MS-CustomNet offers enhanced, fine-grained control over multi-subject image generation. Our method achieves a DINO-I score of 0.61 for identity preservation and a YOLO-L score of 0.94 for positional control in multi-subject customization tasks, demonstrating its superior capability in generating high-fidelity images with precise, user-directed multi-subject compositions and spatial control.

cs.CV↗

arXiv2025

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

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. Here, we introduce ChemBOMAS: a large language model (LLM)-enhanced multi-agent system that accelerates BO through synergistic data- and knowledge-driven strategies. Firstly, the data-driven strategy involves an 8B-scale LLM regressor fine-tuned on a mere 1% labeled samples for pseudo-data generation, robustly initializing the optimization process. Secondly, the knowledge-driven strategy employs a hybrid Retrieval-Augmented Generation approach to guide LLM in dividing the search space while mitigating LLM hallucinations. An Upper Confidence Bound algorithm then identifies high-potential subspaces within this established partition. Across the LLM-refined subspaces and supported by LLM-generated data, BO achieves the improvement of effectiveness and efficiency. Comprehensive evaluations across multiple scientific benchmarks demonstrate that ChemBOMAS set a new state-of-the-art, accelerating optimization efficiency by up to 5-fold compared to baseline methods.

cs.LG↗

arXiv2025

Strengthening LLMs for Tabular Prediction with Structural Priors

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 competitive despite their cross-task adaptability and transparent reasoning traces. We address this gap by incorporating tabular structural priors into LLM post-training. Specifically, we propose Permutation Relative Policy Optimization (PRPO), which operationalizes column-permutation invariance through label-preserving column permutations and two-level advantage estimation. This design converts sparse outcome rewards into denser and more stable optimization signals. Extensive experiments on 139 OpenML datasets show that our 8B model reaches a genuinely competitive regime against strong specialized tabular baselines. It achieves strong fully supervised performance, dominates zero-shot settings, and performs on par with 32-shot strong baselines. Moreover, it substantially outperforms much larger general-purpose and reasoning LLMs, including up to a 53.17% improvement over DeepSeek-R1 (685B). These results show that structural-prior RL post-training is an effective route for making LLMs competitive in tabular prediction.

cs.LG↗

arXiv2024

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

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 fail to achieve pixel-level fine-grained control, or their inference speed requires optimization. To address this, this paper for the first time employs a regression-based network to learn the variation patterns of StyleGAN latent codes during the image dragging process. This method enables pixel-level precision in dragging editing with little time cost. Users can specify handle points and their corresponding target points on any GAN-generated images, and our method will move each handle point to its corresponding target point. Through experimental analysis, we discover that a short movement distance from handle points to target points yields a high-fidelity edited image, as the model only needs to predict the movement of a small portion of pixels. To achieve this, we decompose the entire movement process into multiple sub-processes. Specifically, we develop a transformer encoder-decoder based network named 'Latent Predictor' to predict the latent code motion trajectories from handle points to target points in an autoregressive manner. Moreover, to enhance the prediction stability, we introduce a component named 'Latent Regularizer', aimed at constraining the latent code motion within the distribution of natural images. Extensive experiments demonstrate that our method achieves state-of-the-art (SOTA) inference speed and image editing performance at the pixel-level granularity.

cs.CV↗

arXiv2024

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

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 high-fidelity try-on performance, most state-of-the-art methods still rely on accurate segmentation masks, which are often produced by near-perfect parsers or manual labeling. To overcome the bottleneck, we propose a parser-free virtual try-on method based on the diffusion model (PFDM). Given two images, PFDM can "wear" garments on the target person seamlessly by implicitly warping without any other information. To learn the model effectively, we synthesize many pseudo-images and construct sample pairs by wearing various garments on persons. Supervised by the large-scale expanded dataset, we fuse the person and garment features using a proposed Garment Fusion Attention (GFA) mechanism. Experiments demonstrate that our proposed PFDM can successfully handle complex cases, synthesize high-fidelity images, and outperform both state-of-the-art parser-free and parser-based models.

cs.CV↗