arXiv subjects

Mingyuan Xu

Publications and source records attributed to Mingyuan Xu.

8 recordsLinked to original sources

arXiv2026

OPLD: On-Policy Latent Distillation for Multimodal Reasoning

Interleaved multimodal Chain-of-Thought (CoT) improves visual reasoning by incorporating auxiliary visual evidence into intermediate reasoning. However, existing approaches remain constrained by externally defined reasoning traces and visual operations, limiting their ability to develop flexible and abstract visual thinking. Reasoning with latent has recently offered a promising direction by internalizing intermediate computation into continuous representations. Nevertheless, existing visual-latent methods mainly supervise latent states through alignment with compressed auxiliary visual features, treating them as proxies for visual observations rather than active reasoning states. Consequently, they capture the provided evidence but fail to fully internalize the abstract reasoning process induced by multimodal CoT. In this paper, we propose OPLD (On-Policy Latent Distillation), a simple framework that transfers the reasoning capability induced by privileged multimodal CoT into latent reasoning representations. Extensive experiments on diverse multimodal benchmarks demonstrate that OPLD consistently outperforms existing latent reasoning methods and achieves state-of-the-art performance on multiple benchmarks. The results suggest that supervising latent representations at the reasoning-process level provides a more effective paradigm for multimodal latent reasoning than conventional feature-level alignment.

cs.CV↗

arXiv2026

A Judge-Aware Ranking Framework for Evaluating Large Language Models without Ground Truth

Evaluating large language models (LLMs) on open-ended tasks without ground-truth labels is increasingly done via the LLM-as-a-judge paradigm. A critical but under-modeled issue is that judge LLMs differ substantially in reliability; treating all judges equally can yield biased leaderboards and misleading uncertainty estimates. More data can make evaluation more confidently wrong under misspecified aggregation. We propose a judge-aware ranking framework that extends the Bradley-Terry-Luce model by introducing judge-specific discrimination parameters, jointly estimating latent model quality and judge reliability from pairwise comparisons without reference labels. We establish identifiability up to natural normalizations and prove consistency and asymptotic normality of the maximum likelihood estimator, enabling confidence intervals for score differences and rank comparisons. Across multiple public benchmarks and a newly collected dataset, our method improves agreement with human preferences, achieves higher data efficiency than unweighted baselines, and produces calibrated uncertainty quantification for LLM rankings.

stat.ML↗

arXiv2026

Learning Sequential Decisions from Multiple Sources via Group-Robust Markov Decision Processes

We often collect data from multiple sites (e.g., hospitals) that share common structure but also exhibit heterogeneity. This paper aims to learn robust sequential decision-making policies from such offline, multi-site datasets. To model cross-site uncertainty, we study distributionally robust MDPs with a group-linear structure: all sites share a common feature map, and both the transition kernels and expected reward functions are linear in these shared features. We introduce feature-wise (d-rectangular) uncertainty sets, which preserve tractable robust Bellman recursions while maintaining key cross-site structure. Building on this, we then develop an offline algorithm based on pessimistic value iteration that includes: (i) per-site ridge regression for Bellman targets, (ii) feature-wise worst-case (row-wise minimization) aggregation, and (iii) a data-dependent pessimism penalty computed from the diagonals of the inverse design matrices. We further propose a cluster-level extension that pools similar sites to improve sample efficiency, guided by prior knowledge of site similarity. Under a robust partial coverage assumption, we prove a suboptimality bound for the resulting policy. Overall, our framework addresses multi-site learning with heterogeneous data sources and provides a principled approach to robust planning without relying on strong state-action rectangularity assumptions.

stat.ME↗

arXiv2024

Optimizing Medical Image Segmentation with Advanced Decoder Design

U-Net is widely used in medical image segmentation due to its simple and flexible architecture design. To address the challenges of scale and complexity in medical tasks, several variants of U-Net have been proposed. In particular, methods based on Vision Transformer (ViT), represented by Swin UNETR, have gained widespread attention in recent years. However, these improvements often focus on the encoder, overlooking the crucial role of the decoder in optimizing segmentation details. This design imbalance limits the potential for further enhancing segmentation performance. To address this issue, we analyze the roles of various decoder components, including upsampling method, skip connection, and feature extraction module, as well as the shortcomings of existing methods. Consequently, we propose Swin DER (i.e., Swin UNETR Decoder Enhanced and Refined) by specifically optimizing the design of these three components. Swin DER performs upsampling using learnable interpolation algorithm called offset coordinate neighborhood weighted up sampling (Onsampling) and replaces traditional skip connection with spatial-channel parallel attention gate (SCP AG). Additionally, Swin DER introduces deformable convolution along with attention mechanism in the feature extraction module of the decoder. Our model design achieves excellent results, surpassing other state-of-the-art methods on both the Synapse and the MSD brain tumor segmentation task. Code is available at: https://github.com/WillBeanYang/Swin-DER

eess.IV↗

arXiv2023

EC-Conf: An Ultra-fast Diffusion Model for Molecular Conformation Generation with Equivariant Consistency

Despite recent advancement in 3D molecule conformation generation driven by diffusion models, its high computational cost in iterative diffusion/denoising process limits its application. In this paper, an equivariant consistency model (EC-Conf) was proposed as a fast diffusion method for low-energy conformation generation. In EC-Conf, a modified SE (3)-equivariant transformer model was directly used to encode the Cartesian molecular conformations and a highly efficient consistency diffusion process was carried out to generate molecular conformations. It was demonstrated that, with only one sampling step, it can already achieve comparable quality to other diffusion-based models running with thousands denoising steps. Its performance can be further improved with a few more sampling iterations. The performance of EC-Conf is evaluated on both GEOM-QM9 and GEOM-Drugs sets. Our results demonstrate that the efficiency of EC-Conf for learning the distribution of low energy molecular conformation is at least two magnitudes higher than current SOTA diffusion models and could potentially become a useful tool for conformation generation and sampling. We release our code at https://github.com/zhi520/EcConf.

q-bio.BM↗

arXiv2023

More complex encoder is not all you need

U-Net and its variants have been widely used in medical image segmentation. However, most current U-Net variants confine their improvement strategies to building more complex encoder, while leaving the decoder unchanged or adopting a simple symmetric structure. These approaches overlook the true functionality of the decoder: receiving low-resolution feature maps from the encoder and restoring feature map resolution and lost information through upsampling. As a result, the decoder, especially its upsampling component, plays a crucial role in enhancing segmentation outcomes. However, in 3D medical image segmentation, the commonly used transposed convolution can result in visual artifacts. This issue stems from the absence of direct relationship between adjacent pixels in the output feature map. Furthermore, plain encoder has already possessed sufficient feature extraction capability because downsampling operation leads to the gradual expansion of the receptive field, but the loss of information during downsampling process is unignorable. To address the gap in relevant research, we extend our focus beyond the encoder and introduce neU-Net (i.e., not complex encoder U-Net), which incorporates a novel Sub-pixel Convolution for upsampling to construct a powerful decoder. Additionally, we introduce multi-scale wavelet inputs module on the encoder side to provide additional information. Our model design achieves excellent results, surpassing other state-of-the-art methods on both the Synapse and ACDC datasets.

eess.IV↗

arXiv2023

Node-based Knowledge Graph Contrastive Learning for Medical Relationship Prediction

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships. Meanwhile, contrastive learning (CL) is widely employed to enhance the distinctiveness of these representations. However, constructing suitable contrastive pairs for CL, especially within Knowledge Graphs (KGs), has been challenging. In this paper, we proposed a novel node-based contrastive learning method for knowledge graph embedding, NC-KGE. NC-KGE enhances knowledge extraction in embeddings and speeds up training convergence by constructing appropriate contrastive node pairs on KGs. This scheme can be easily integrated with other knowledge graph embedding (KGE) methods. For downstream task such as biochemical relationship prediction, we have incorporated a relation-aware attention mechanism into NC-KGE, focusing on the semantic relationships and node interactions. Extensive experiments show that NC-KGE performs competitively with state-of-the-art models on public datasets like FB15k-237 and WN18RR. Particularly in biomedical relationship prediction tasks, NC-KGE outperforms all baselines on datasets such as PharmKG8k-28, DRKG17k-21, and BioKG72k-14, especially in predicting drug combination relationships. We release our code at https://github.com/zhi520/NC-KGE.

cs.DB↗

arXiv2019

Neural Network Based in Silico Simulation of Combustion Reactions

Understanding and prediction of the chemical reactions are fundamental demanding in the study of many complex chemical systems. Reactive molecular dynamics (MD) simulation has been widely used for this purpose as it can offer atomic details and can help us better interpret chemical reaction mechanisms. In this study, two reference datasets were constructed and corresponding neural network (NN) potentials were trained based on them. For given large-scale reaction systems, the NN potentials can predict the potential energy and atomic forces of DFT precision, while it is orders of magnitude faster than the conventional DFT calculation. With these two models, reactive MD simulations were performed to explore the combustion mechanisms of hydrogen and methane. Benefit from the high efficiency of the NN model, nanosecond MD trajectories for large-scale systems containing hundreds of atoms were produced and detailed combustion mechanism was obtained. Through further development, the algorithms in this study can be used to explore and discovery reaction mechanisms of many complex reaction systems, such as combustion, synthesis, and heterogeneous catalysis without any predefined reaction coordinates and elementary reaction steps.

physics.chem-ph↗