Minghao Sun

Chen Wei, Fanding Xu, Minghao Sun et al.

Proteins perform their biological functions through three-dimensional structures encoded by amino acid sequences, and ligand-binding protein co-design requires models that generate sequence-structure compatible proteins under explicit ligand constraints. Although continuous diffusion and flow-based models support ligand-aware design in coordinate or latent spaces, existing discrete diffusion protein language models mainly operate over sequence or structure tokens without direct small-molecule conditioning. We introduce \textbf{ProtLiD$^2$}, a \textbf{Prot}ein \textbf{L}igand-conditioned \textbf{D}iscrete \textbf{D}iffusion model for protein sequence-structure co-design. ProtLiD$^2$ jointly generates amino-acid sequence and discrete structure tokens while incorporating ligand chemical and geometric information through geometry-aware cross-attention. Trained on over one million ligand-protein complexes, ProtLiD$^2$ extends masked discrete diffusion to ligand-aware functional protein design. We further propose maximum confidence-margin guided ReMask decoding, an inference-time self-correction strategy that retains confident predictions and remasks uncertain tokens. ProtLiD$^2$ improves global fold confidence over Complexa in whole-protein design, increasing TM-score from 0.672 to 0.802 and pLDDT from 64.55 to 73.00. In pocket co-design, ProtLiD$^2$ reduces active-site BB-RMSD from 3.46/3.40Å for FAIR/PocketGen to 1.97Å, and improves ligand-aware pass rates over PocketGen from 14.86% to 59.73% and from 6.08% to 23.49% under stricter docking thresholds. These results support ligand-conditioned discrete diffusion as an effective token-space framework for functional protein co-design. Code will be available at https://github.com/auroua/ProtLiD.

Minghao Sun, Zehui Chen, Jinbo Hou et al.

The rapid growth of foundation model training and large-scale AI services has driven ground data centers toward unprecedented power densities, intensifying challenges in energy supply, cooling, and spatial scalability. Space Data Centers (SDCs) have emerged as a promising paradigm for hosting energy-intensive computing infrastructures in orbit, leveraging continuous solar energy and radiative cooling advantages. However, unlike ground facilities primarily constrained by power and site availability, SDCs are fundamentally limited by communication capability. The gap between petabit-scale internal data exchange in ground data centers and the gigabit-scale capacity of ground-space links forms a critical bottleneck. This article systematically analyzes communication constraints in SDC architectures and explores semantic communication as a key enabling paradigm. By transmitting compact, task-relevant semantic representations instead of raw data, uplink pressure can be substantially reduced. The feasibility of communication-efficient orbital AI infrastructures is demonstrated through the evaluation of a multi-layer heterogeneous SDC framework consisting of relay satellites and orbital computing nodes operating under coupled energy and thermal constraints. The article further outlines open research challenges toward scalable deployment.

Minghao Sun, Chongyang Xu, Yitao Xie et al.

Multi-person 3D reconstruction is pivotal for real-world interaction analysis, yet remains challenging due to severe occlusions and depth ambiguity. Current approaches typically rely on single-modality inputs, which inherently lack geometric guidance. Furthermore, these methods often reconstruct subjects in isolation, neglecting the collective group context essential for resolving ambiguities in crowded scenes. To address these limitations, we propose Contrastive Multi-modal Hypergraph Reasoning to synergize semantic, geometric, and pose cues for crowd reconstruction. We first initialize robust node representations by combining RGB features, geometric priors, and occlusion-aware incomplete poses. Additionally, we introduce a pelvis depth indicator as a global spatial anchor, aligning visual features with a metric-scale-agnostic depth ordering. Subsequently, we construct a shared-topology hypergraph that moves beyond pairwise constraints to model higher-order crowd dynamics. To improve feature fusion, we design a hypergraph-based contrastive learning scheme that jointly enhances intra-modal discriminability and enforces cross-modal orthogonality. This mechanism enables the network to propagate global context effectively, allowing it to infer missing information even under severe occlusion. Extensive experiments on the Panoptic and GigaCrowd benchmarks confirm that our method achieves new state-of-the-art performance. Code and pre-trained models are available at https://github.com/SunMH-try/CoMHR.

Hanqun Cao, Hongrui Zhang, Junde Xu et al.

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective optimization in protein design. Yet whether RL can push PLMs beyond their pretraining priors to uncover latent sequence-structure-function rules remains unclear. We address this by pairing RL with PLMs across four domains: antimicrobial peptide design, kinase variant optimization, antibody engineering, and inverse folding. Using diverse RL algorithms and model classes, we ask if RL improves sampling efficiency and, more importantly, if it reveals capabilities not captured by supervised learning. Across benchmarks, RL consistently boosts success rates and sample efficiency. Performance follows a three-factor interaction: task headroom, reward fidelity, and policy capacity jointly determine gains. When rewards are accurate and informative, policies have sufficient capacity, and tasks leave room beyond supervised baselines, improvements scale; when rewards are noisy or capacity is constrained, gains saturate despite exploration. This view yields practical guidance for RL in protein design: prioritize reward modeling and calibration before scaling policy size, match algorithm and regularization strength to task difficulty, and allocate capacity where marginal gains are largest. Implementation is available at https://github.com/chq1155/RL-PLM.

Qingtao Yu, Changlin Song, Minghao Sun et al.

A prominent approach to test-time scaling for text-to-image diffusion models formulates the problem as a search over multiple noise seeds, selecting the one that maximizes a certain image-reward function. The effectiveness of this strategy heavily depends on the number and diversity of noise seeds explored. However, verifying each candidate is computationally expensive, because each must be fully denoised before a reward can be computed. This severely limits the number of samples that can be explored under a fixed budget. We propose test-time scaling with noise-aware pruning (TTSnap), a framework that prunes low-quality candidates without fully denoising them. The key challenge is that reward models are learned in the clean image domain, and the ranking of rewards predicted for intermediate estimates are often inconsistent with those predicted for clean images. To overcome this, we train noise-aware reward models via self-distillation to align the reward for intermediate estimates with that of the final clean images. To stabilize learning across different noise levels, we adopt a curriculum training strategy that progressively shifts the data domain from clean images to noise images. In addition, we introduce a new metric that measures reward alignment and computational budget utilization. Experiments demonstrate that our approach improves performance by over 16\% compared with existing methods, enabling more efficient and effective test-time scaling. It also provides orthogonal gains when combined with post-training techniques and local test-time optimization. Code: https://github.com/TerrysLearning/TTSnap/.

Minghong Fang, Minghao Sun, Qi Li et al.

A key challenge of big data analytics is how to collect a large volume of (labeled) data. Crowdsourcing aims to address this challenge via aggregating and estimating high-quality data (e.g., sentiment label for text) from pervasive clients/users. Existing studies on crowdsourcing focus on designing new methods to improve the aggregated data quality from unreliable/noisy clients. However, the security aspects of such crowdsourcing systems remain under-explored to date. We aim to bridge this gap in this work. Specifically, we show that crowdsourcing is vulnerable to data poisoning attacks, in which malicious clients provide carefully crafted data to corrupt the aggregated data. We formulate our proposed data poisoning attacks as an optimization problem that maximizes the error of the aggregated data. Our evaluation results on one synthetic and two real-world benchmark datasets demonstrate that the proposed attacks can substantially increase the estimation errors of the aggregated data. We also propose two defenses to reduce the impact of malicious clients. Our empirical results show that the proposed defenses can substantially reduce the estimation errors of the data poisoning attacks.