Renhe Liu

Zequn Liu, Kehan Wu, Shufang Xie et al.

Emerging reasoning models hold promise for automating scientific discovery. However, their training is hindered by a critical supervision gap: experimental outcomes are abundant, whereas intermediate reasoning steps are rarely documented at scale. To bridge this gap, we propose DESRO, a framework for deciphering scientific reasoning from outcomes. By analyzing shared patterns and key differences within grouped data, a large language model (LLM) can recover the underlying logic. We instantiate this framework in molecule optimization, a pivotal stage in drug discovery that traditionally relies on the iterative reasoning of medicinal chemists. Across 2.3 million molecular property records, our framework infers optimization rationales by grouping molecules with shared fragments, then using an LLM to analyze how structural variations correlate with property differences. Based on the derived data, we train a model that conducts molecule optimization through an interpretable reasoning process. DESRO achieves the highest success rates on 15 out of 18 tasks, spanning both single- and multi-property optimization of bioactivity and ADMET properties. The reasoning process enables robust generalization to out-of-distribution scenarios, including novel property combinations, unseen biological targets, and unseen properties defined solely by natural language descriptions. In retrospective case studies under strict temporal splits, the model autonomously reconstructs expert-level lead optimization trajectories. Additionally, our framework extends beyond molecule optimization to reaction ligand selection. Our results establish deciphering reasoning steps from outcome data as a viable paradigm for enabling scientific reasoning, providing a scalable approach to accelerate scientific discovery.

Kai Hu, Yu Liu, Renhe Liu et al.

Facial semantic guidance (including facial landmarks, facial heatmaps, and facial parsing maps) and facial generative adversarial networks (GAN) prior have been widely used in blind face restoration (BFR) in recent years. Although existing BFR methods have achieved good performance in ordinary cases, these solutions have limited resilience when applied to face images with serious degradation and pose-varied (e.g., looking right, looking left, laughing, etc.) in real-world scenarios. In this work, we propose a well-designed blind face restoration network with generative facial prior. The proposed network is mainly comprised of an asymmetric codec and a StyleGAN2 prior network. In the asymmetric codec, we adopt a mixed multi-path residual block (MMRB) to gradually extract weak texture features of input images, which can better preserve the original facial features and avoid excessive fantasy. The MMRB can also be plug-and-play in other networks. Furthermore, thanks to the affluent and diverse facial priors of the StyleGAN2 model, we adopt it as the primary generator network in our proposed method and specially design a novel self-supervised training strategy to fit the distribution closer to the target and flexibly restore natural and realistic facial details. Extensive experiments on synthetic and real-world datasets demonstrate that our model performs superior to the prior art for face restoration and face super-resolution tasks.

Kai Hu, Han Wang, Renhe Liu et al.

Region of Interest (ROI)-based image compression has rapidly developed due to its ability to maintain high fidelity in important regions while reducing data redundancy. However, existing compression methods primarily apply masks to suppress background information before quantization. This explicit bit allocation strategy, which uses hard gating, significantly impacts the statistical distribution of the entropy model, thereby limiting the coding performance of the compression model. In response, this work proposes an efficient ROI-based deep image compression model with implicit bit allocation. To better utilize ROI masks for implicit bit allocation, this paper proposes a novel Mask-Guided Feature Enhancement (MGFE) module, comprising a Region-Adaptive Attention (RAA) block and a Frequency-Spatial Collaborative Attention (FSCA) block. This module allows for flexible bit allocation across different regions while enhancing global and local features through frequencyspatial domain collaboration. Additionally, we use dual decoders to separately reconstruct foreground and background images, enabling the coding network to optimally balance foreground enhancement and background quality preservation in a datadriven manner. To the best of our knowledge, this is the first work to utilize implicit bit allocation for high-quality regionadaptive coding. Experiments on the COCO2017 dataset show that our implicit-based image compression method significantly outperforms explicit bit allocation approaches in rate-distortion performance, achieving optimal results while maintaining satisfactory visual quality in the reconstructed background regions.

Qingyuan Gong, Yu Liu, Liqiang Zhang et al.

Visual place recognition (VPR) is a challenging task with the unbalance between enormous computational cost and high recognition performance. Thanks to the practical feature extraction ability of the lightweight convolution neural networks (CNNs) and the train-ability of the vector of locally aggregated descriptors (VLAD) layer, we propose a lightweight weakly supervised end-to-end neural network consisting of a front-ended perception model called GhostCNN and a learnable VLAD layer as a back-end. GhostCNN is based on Ghost modules that are lightweight CNN-based architectures. They can generate redundant feature maps using linear operations instead of the traditional convolution process, making a good trade-off between computation resources and recognition accuracy. To enhance our proposed lightweight model further, we add dilated convolutions to the Ghost module to get features containing more spatial semantic information, improving accuracy. Finally, rich experiments conducted on a commonly used public benchmark and our private dataset validate that the proposed neural network reduces the FLOPs and parameters of VGG16-NetVLAD by 99.04% and 80.16%, respectively. Besides, both models achieve similar accuracy.