Xiangxin Zhou

Zhixun Li, Liang Wang, Xin Sun et al. · cmu

Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard experimental setting or fair comparison for performance evaluation, which creates a great obstacle to understanding the progress in this field. To fill this gap, we systematically analyze the performance of GSL in different scenarios and develop a comprehensive Graph Structure Learning Benchmark (GSLB) curated from 20 diverse graph datasets and 16 distinct GSL algorithms. Specifically, GSLB systematically investigates the characteristics of GSL in terms of three dimensions: effectiveness, robustness, and complexity. We comprehensively evaluate state-of-the-art GSL algorithms in node- and graph-level tasks, and analyze their performance in robust learning and model complexity. Further, to facilitate reproducible research, we have developed an easy-to-use library for training, evaluating, and visualizing different GSL methods. Empirical results of our extensive experiments demonstrate the ability of GSL and reveal its potential benefits on various downstream tasks, offering insights and opportunities for future research. The code of GSLB is available at: https://github.com/GSL-Benchmark/GSLB.

Yushi Huang, Xiangxin Zhou, Ruoyu Wang et al.

Recent advances in few-step diffusion distillation have enabled efficient image generation, yet aligning these models with human preferences remains challenging. We propose Reward-Tilted Distribution Matching Distillation (RTDMD), a two-stage framework that unifies distribution matching distillation with reward-guided reinforcement learning for few-step flow generators. We show that minimizing the KL divergence to a reward-tilted teacher distribution naturally decomposes into a distribution matching term and a reward maximization term. In the first stage, we introduce Ambient-Consistent Distribution Matching Distillation (AC-DMD), which performs subinterval-wise distribution matching and augments the fake score objective with a consistency regularizer to help the fake score model track the shifting generator distribution under limited updates. In the second stage, we jointly optimize both terms: for the reward maximization term, we derive a hybrid policy gradient that combines a GRPO-style estimator for the stochastic intermediate transitions with direct reward backpropagation through the deterministic final step, and further introduce step-subset GRPO (SubGRPO) to reduce variance. Experiments on SD3, SD3.5, and FLUX.2 demonstrate that RTDMD establishes new state-of-the-art results across preference, aesthetic, and compositional metrics with only 4 inference steps, outperforming previous few-step text-to-image generation methods. Code and models are available at https://github.com/Harahan/RTDMD.

Xiangxin Zhou, Zichen Liu, Anya Sims et al.

The recent paradigm shift towards training large language models (LLMs) using DeepSeek-R1-Zero-style reinforcement learning (RL) on verifiable rewards has led to impressive advancements in code and mathematical reasoning. However, this methodology is limited to tasks where rule-based answer verification is possible and does not naturally extend to real-world domains such as chemistry, healthcare, engineering, law, biology, business, and economics. Current practical workarounds use an additional LLM as a model-based verifier; however, this introduces issues such as reliance on a strong verifier LLM, susceptibility to reward hacking, and the practical burden of maintaining the verifier model in memory during training. To address this and extend DeepSeek-R1-Zero-style training to general reasoning domains, we propose a verifier-free method (VeriFree) that bypasses answer verification and instead uses RL to directly maximize the probability of generating the reference answer. We compare VeriFree with verifier-based methods and demonstrate that, in addition to its significant practical benefits and reduced compute requirements, VeriFree matches and even surpasses verifier-based methods on extensive evaluations across MMLU-Pro, GPQA, SuperGPQA, and math-related benchmarks. Moreover, we provide insights into this method from multiple perspectives: as an elegant integration of training both the policy and implicit verifier in a unified model, and as a variational optimization approach. Code is available at https://github.com/sail-sg/VeriFree.

Yijia Chen, Pinghua Chen, Xiangxin Zhou et al.

In the field of computer vision, visible light images often exhibit low contrast in low-light conditions, presenting a significant challenge. While infrared imagery provides a potential solution, its utilization entails high costs and practical limitations. Recent advancements in deep learning, particularly the deployment of Generative Adversarial Networks (GANs), have facilitated the transformation of visible light images to infrared images. However, these methods often experience unstable training phases and may produce suboptimal outputs. To address these issues, we propose a novel end-to-end Transformer-based model that efficiently converts visible light images into high-fidelity infrared images. Initially, the Texture Mapping Module and Color Perception Adapter collaborate to extract texture and color features from the visible light image. The Dynamic Fusion Aggregation Module subsequently integrates these features. Finally, the transformation into an infrared image is refined through the synergistic action of the Color Perception Adapter and the Enhanced Perception Attention mechanism. Comprehensive benchmarking experiments confirm that our model outperforms existing methods, producing infrared images of markedly superior quality, both qualitatively and quantitatively. Furthermore, the proposed model enables more effective downstream applications for infrared images than other methods.

Xiangxin Zhou, Liang Wang, Yichi Zhou

Considering generating samples with high rewards, we focus on optimizing deep neural networks parameterized stochastic differential equations (SDEs), the advanced generative models with high expressiveness, with policy gradient, the leading algorithm in reinforcement learning. Nevertheless, when applying policy gradients to SDEs, since the policy gradient is estimated on a finite set of trajectories, it can be ill-defined, and the policy behavior in data-scarce regions may be uncontrolled. This challenge compromises the stability of policy gradients and negatively impacts sample complexity. To address these issues, we propose constraining the SDE to be consistent with its associated perturbation process. Since the perturbation process covers the entire space and is easy to sample, we can mitigate the aforementioned problems. Our framework offers a general approach allowing for a versatile selection of policy gradient methods to effectively and efficiently train SDEs. We evaluate our algorithm on the task of structure-based drug design and optimize the binding affinity of generated ligand molecules. Our method achieves the best Vina score -9.07 on the CrossDocked2020 dataset.

Ruifeng Li, Mingqian Li, Wei Liu et al.

Drug discovery is crucial for identifying candidate drugs for various diseases.However, its low success rate often results in a scarcity of annotations, posing a few-shot learning problem. Existing methods primarily focus on single-scale features, overlooking the hierarchical molecular structures that determine different molecular properties. To address these issues, we introduce Universal Matching Networks (UniMatch), a dual matching framework that integrates explicit hierarchical molecular matching with implicit task-level matching via meta-learning, bridging multi-level molecular representations and task-level generalization. Specifically, our approach explicitly captures structural features across multiple levels, such as atoms, substructures, and molecules, via hierarchical pooling and matching, facilitating precise molecular representation and comparison. Additionally, we employ a meta-learning strategy for implicit task-level matching, allowing the model to capture shared patterns across tasks and quickly adapt to new ones. This unified matching framework ensures effective molecular alignment while leveraging shared meta-knowledge for fast adaptation. Our experimental results demonstrate that UniMatch outperforms state-of-the-art methods on the MoleculeNet and FS-Mol benchmarks, achieving improvements of 2.87% in AUROC and 6.52% in delta AUPRC. UniMatch also shows excellent generalization ability on the Meta-MolNet benchmark.

Jiajun Fan, Chaoran Cheng, Shuaike Shen et al.

Flow-based generative models have shown remarkable success in text-to-image generation, yet fine-tuning them with intermediate feedback remains challenging, especially for continuous-time flow matching models. Most existing approaches solely learn from outcome rewards, struggling with the credit assignment problem. Alternative methods that attempt to learn a critic via direct regression on cumulative rewards often face training instabilities and model collapse in online settings. We present AC-Flow, a robust actor-critic framework that addresses these challenges through three key innovations: (1) reward shaping that provides well-normalized learning signals to enable stable intermediate value learning and gradient control, (2) a novel dual-stability mechanism that combines advantage clipping to prevent destructive policy updates with a warm-up phase that allows the critic to mature before influencing the actor, and (3) a scalable generalized critic weighting scheme that extends traditional reward-weighted methods while preserving model diversity through Wasserstein regularization. Through extensive experiments on Stable Diffusion 3, we demonstrate that AC-Flow achieves state-of-the-art performance in text-to-image alignment tasks and generalization to unseen human preference models. Our results demonstrate that even with a computationally efficient critic model, we can robustly finetune flow models without compromising generative quality, diversity, or stability.

Ruifeng Li, Wei Liu, Xiangxin Zhou et al.

In the drug discovery process, the low success rate of drug candidate screening often leads to insufficient labeled data, causing the few-shot learning problem in molecular property prediction. Existing methods for few-shot molecular property prediction overlook the sample selection bias, which arises from non-random sample selection in chemical experiments. This bias in data representativeness leads to suboptimal performance. To overcome this challenge, we present a novel method named contextual representation anchor Network (CRA), where an anchor refers to a cluster center of the representations of molecules and serves as a bridge to transfer enriched contextual knowledge into molecular representations and enhance their expressiveness. CRA introduces a dual-augmentation mechanism that includes context augmentation, which dynamically retrieves analogous unlabeled molecules and captures their task-specific contextual knowledge to enhance the anchors, and anchor augmentation, which leverages the anchors to augment the molecular representations. We evaluate our approach on the MoleculeNet and FS-Mol benchmarks, as well as in domain transfer experiments. The results demonstrate that CRA outperforms the state-of-the-art by 2.60% and 3.28% in AUC and $Δ$AUC-PR metrics, respectively, and exhibits superior generalization capabilities.

Yuchi Liu, Zhongdao Wang, Xiangxin Zhou et al.

Association, aiming to link bounding boxes of the same identity in a video sequence, is a central component in multi-object tracking (MOT). To train association modules, e.g., parametric networks, real video data are usually used. However, annotating person tracks in consecutive video frames is expensive, and such real data, due to its inflexibility, offer us limited opportunities to evaluate the system performance w.r.t changing tracking scenarios. In this paper, we study whether 3D synthetic data can replace real-world videos for association training. Specifically, we introduce a large-scale synthetic data engine named MOTX, where the motion characteristics of cameras and objects are manually configured to be similar to those in real-world datasets. We show that compared with real data, association knowledge obtained from synthetic data can achieve very similar performance on real-world test sets without domain adaption techniques. Our intriguing observation is credited to two factors. First and foremost, 3D engines can well simulate motion factors such as camera movement, camera view and object movement, so that the simulated videos can provide association modules with effective motion features. Second, experimental results show that the appearance domain gap hardly harms the learning of association knowledge. In addition, the strong customization ability of MOTX allows us to quantitatively assess the impact of motion factors on MOT, which brings new insights to the community.

Xiaohan Ding, Guiguang Ding, Xiangxin Zhou et al.

Deep Neural Network (DNN) is powerful but computationally expensive and memory intensive, thus impeding its practical usage on resource-constrained front-end devices. DNN pruning is an approach for deep model compression, which aims at eliminating some parameters with tolerable performance degradation. In this paper, we propose a novel momentum-SGD-based optimization method to reduce the network complexity by on-the-fly pruning. Concretely, given a global compression ratio, we categorize all the parameters into two parts at each training iteration which are updated using different rules. In this way, we gradually zero out the redundant parameters, as we update them using only the ordinary weight decay but no gradients derived from the objective function. As a departure from prior methods that require heavy human works to tune the layer-wise sparsity ratios, prune by solving complicated non-differentiable problems or finetune the model after pruning, our method is characterized by 1) global compression that automatically finds the appropriate per-layer sparsity ratios; 2) end-to-end training; 3) no need for a time-consuming re-training process after pruning; and 4) superior capability to find better winning tickets which have won the initialization lottery.

Benjin Zhu, Zhengkai Jiang, Xiangxin Zhou et al.

This report presents our method which wins the nuScenes3D Detection Challenge [17] held in Workshop on Autonomous Driving(WAD, CVPR 2019). Generally, we utilize sparse 3D convolution to extract rich semantic features, which are then fed into a class-balanced multi-head network to perform 3D object detection. To handle the severe class imbalance problem inherent in the autonomous driving scenarios, we design a class-balanced sampling and augmentation strategy to generate a more balanced data distribution. Furthermore, we propose a balanced group-ing head to boost the performance for the categories withsimilar shapes. Based on the Challenge results, our methodoutperforms the PointPillars [14] baseline by a large mar-gin across all metrics, achieving state-of-the-art detection performance on the nuScenes dataset. Code will be released at CBGS.