Ke Liu

Liyang Li, Muzhi Zhu, Zhiyue Zhao et al.

Humans can reproduce the viewpoint specified by a target image through active head and body motion, yet spatial intelligence in foundation models has largely been studied as passive understanding of pre-collected observations. We introduce Target Viewpoint Reproduction (TVR) -- an active task where an agent adjusts its viewpoint in a 3D environment until its observation matches a given target image -- and TVRBench, an indoor-simulation benchmark spanning scene scale and target-view visual richness. TVR is far from solved: on the evaluation split, the strongest open-source and closed-source models reach only 7.8% and 12.0% success. Fine-grained analysis identifies two consistent bottlenecks: off-the-shelf models struggle with multi-turn visual history, and performance drops sharply when viewpoint reproduction requires body translation rather than in-place rotation, exposing a gap in mapping spatial discrepancies to embodied movement. To study reducing this gap, we build a unified TVR post-training framework covering expert-trajectory SFT, rationale-supervised CoT-SFT, offline Single-turn GRPO, and on-policy Multi-turn GRPO from live simulator rollouts. Visual-action SFT supplies the main gain, raising a 9B open-source model to 50.8% success; Multi-turn GRPO provides targeted multi-room refinement and reaches 51.4% overall, while CoT supervision and Single-turn GRPO degrade closed-loop performance. These results establish TVRBench as a testbed for measuring and training foundation models that actively perceive and act in 3D environments. Our code, data, and models are available at https://github.com/aim-uofa/TVRBench.

Renjun Xu, Kaifan Yang, Ke Liu et al.

Vision Transformer (ViT) has achieved remarkable performance in computer vision. However, positional encoding in ViT makes it substantially difficult to learn the intrinsic equivariance in data. Initial attempts have been made on designing equivariant ViT but are proved defective in some cases in this paper. To address this issue, we design a Group Equivariant Vision Transformer (GE-ViT) via a novel, effective positional encoding operator. We prove that GE-ViT meets all the theoretical requirements of an equivariant neural network. Comprehensive experiments are conducted on standard benchmark datasets, demonstrating that GE-ViT significantly outperforms non-equivariant self-attention networks. The code is available at https://github.com/ZJUCDSYangKaifan/GEVit.

Ke Liu, Jiwei Wei, Wenyu Zhang et al.

With rapid advances in audio-visual generative models, reliable forgery detection becomes increasingly critical. Existing methods for audio-visual deepfake detection typically rely on cross-modal inconsistencies. In singing, rhythmic vocalization weakens this coupling and introduces a nontrivial domain shift, substantially degrading detection performance. We construct the Singing Head DeepFake (SHDF) dataset using rhythm-aware generative models to fill the gap in singing benchmarks. To cope with cross-scenario domain shifts, we propose a Text-guided Audio-Visual Forgery Detection (T-AVFD) framework that generalizes across both talking and singing scenarios. T-AVFD comprises a facial authenticity pattern learner and a multi-modal differential weight learning module. The pattern learner aligns facial features with multi-granularity textual descriptions to learn generalizable authenticity patterns. The weight learning module preserves intrinsic audio-visual consistency and adaptively integrates it with authenticity patterns via differential weighting. Extensive experiments on multiple talking head deepfake datasets and SHDF show consistent improvements over existing baselines and strong robustness under diverse perturbations.

Xiang Li, Jiwei Wei, Ke Liu et al.

While Large Language Models (LLMs) achieve impressive performance on multi-step reasoning tasks, their reliability is persistently hindered by critical limitations such as unconstrained hallucinations and poor numerical computation. Fundamentally, these issues arise because standard models treat reasoning as a transient, one-off generation process rather than retaining and refining successful procedural logic. To address these challenges, we propose eMoT (evolving Memory-of-Thought), a unified framework that stabilizes multi-step reasoning by treating reasoning trajectories as dynamic, evolving memories rather than static templates. The framework primarily consists of three interconnected modules: (i) a memory corrosion mechanism that reinforces high-utility reasoning structures while gradually decaying less frequent ones; (ii) a symbolic anchoring engine that utilizes Python for deterministic computation, much like a human uses a calculator; and (iii) a consistency-driven refinement process that aligns neural inference with symbolic outcomes, reducing the accumulation of logical discrepancies. Across multiple reasoning benchmarks, eMoT improves accuracy and solution consistency over standard Chain-of-Thought and structured reasoning baselines.On the traditional task Game of 24, eMoT achieves 100% accuracy, surpassing the baseline by up to 17.6%. Evaluations on mathematical task GSM8K, ASDiv, SVAMP, and MGSM further show consistent gains in multi-step mathematical reasoning. In our evaluation, we achieve superior performance despite utilizing a lightweight backbone model with constrained baseline capabilities. Compared to alternative methods that rely on massively scaled models, our results demonstrate that the performance gains are fundamentally driven by the eMoT framework's reasoning control rather than sheer model size.

Shangde Gao, Yichao Fu, Ke Liu et al.

Knowledge amalgamation (KA) aims to learn a compact student model to handle the joint objective from multiple teacher models that are are specialized for their own tasks respectively. Current methods focus on coarsely aligning teachers and students in the common representation space, making it difficult for the student to learn the proper decision boundaries from a set of heterogeneous teachers. Besides, the KL divergence in previous works only minimizes the probability distribution difference between teachers and the student, ignoring the intrinsic characteristics of teachers. Therefore, we propose a novel Contrastive Knowledge Amalgamation (CKA) framework, which introduces contrastive losses and an alignment loss to achieve intra-class cohesion and inter-class separation.Contrastive losses intra- and inter- models are designed to widen the distance between representations of different classes. The alignment loss is introduced to minimize the sample-level distribution differences of teacher-student models in the common representation space.Furthermore, the student learns heterogeneous unsupervised classification tasks through soft targets efficiently and flexibly in the task-level amalgamation. Extensive experiments on benchmarks demonstrate the generalization capability of CKA in the amalgamation of specific task as well as multiple tasks. Comprehensive ablation studies provide a further insight into our CKA.

Ke Liu, Jiankai Tang, Zhang Jiang et al. · tsinghua

Video photoplethysmography (vPPG) is an emerging method for non-invasive and convenient measurement of physiological signals, utilizing two primary approaches: remote video PPG (rPPG) and contact video PPG (cPPG). Monitoring vitals in high-altitude environments, where heart rates tend to increase and blood oxygen levels often decrease, presents significant challenges. To address these issues, we introduce the SUMS dataset comprising 80 synchronized non-contact facial and contact finger videos from 10 subjects during exercise and oxygen recovery scenarios, capturing PPG, respiration rate (RR), and SpO2. This dataset is designed to validate video vitals estimation algorithms and compare facial rPPG with finger cPPG. Additionally, fusing videos from different positions (i.e., face and finger) reduces the mean absolute error (MAE) of SpO2 predictions by 7.6\% and 10.6\% compared to only face and only finger, respectively. In cross-subject evaluation, we achieve an MAE of less than 0.5 BPM for HR estimation and 2.5\% for SpO2 estimation, demonstrating the precision of our multi-camera fusion techniques. Our findings suggest that simultaneous training on multiple indicators, such as PPG and blood oxygen, can reduce MAE in SpO2 estimation by 17.8\%.

Shuyi Zhang, Ke Liu, Jingjun Gu et al.

Implicit Neural Representation (INR) has gained increasing popularity as a data representation method, serving as a prerequisite for innovative generation models. Unlike gradient-based methods, which exhibit lower efficiency in inference, the adoption of hyper-network for generating parameters in Multi-Layer Perceptrons (MLP), responsible for executing INR functions, has surfaced as a promising and efficient alternative. However, as a global continuous function, MLP is challenging in modeling highly discontinuous signals, resulting in slow convergence during the training phase and inaccurate reconstruction performance. Moreover, MLP requires massive representation parameters, which implies inefficiencies in data representation. In this paper, we propose a novel Attention-based Localized INR (ANR) composed of a localized attention layer (LAL) and a global MLP that integrates coordinate features with data features and converts them to meaningful outputs. Subsequently, we design an instance representation framework that delivers a transformer-like hyper-network to represent data instances as a compact representation vector. With instance-specific representation vector and instance-agnostic ANR parameters, the target signals are well reconstructed as a continuous function. We further address aliasing artifacts with variational coordinates when obtaining the super-resolution inference results. Extensive experimentation across four datasets showcases the notable efficacy of our ANR method, e.g. enhancing the PSNR value from 37.95dB to 47.25dB on the CelebA dataset. Code is released at https://github.com/Roninton/ANR.

Ke Liu, Kaifan Yang, Jiahong Zhang et al.

Superconductivity allows electrical current to flow without any energy loss, and thus making solids superconducting is a grand goal of physics, material science, and electrical engineering. More than 16 Nobel Laureates have been awarded for their contribution to superconductivity research. Superconductors are valuable for sustainable development goals (SDGs), such as climate change mitigation, affordable and clean energy, industry, innovation and infrastructure, and so on. However, a unified physics theory explaining all superconductivity mechanism is still unknown. It is believed that superconductivity is microscopically due to not only molecular compositions but also the geometric crystal structure. Hence a new dataset, S2S, containing both crystal structures and superconducting critical temperature, is built upon SuperCon and Material Project. Based on this new dataset, we propose a novel model, S2SNet, which utilizes the attention mechanism for superconductivity prediction. To overcome the shortage of data, S2SNet is pre-trained on the whole Material Project dataset with Masked-Language Modeling (MLM). S2SNet makes a new state-of-the-art, with out-of-sample accuracy of 92% and Area Under Curve (AUC) of 0.92. To the best of our knowledge, S2SNet is the first work to predict superconductivity with only information of crystal structures. This work is beneficial to superconductivity discovery and further SDGs. Code and datasets are available in https://github.com/zjuKeLiu/S2SNet

Ke Liu, Feng Liu, Haishuai Wang et al.

$\textit{Implicit neural representations}$ (INRs) aim to learn a $\textit{continuous function}$ (i.e., a neural network) to represent an image, where the input and output of the function are pixel coordinates and RGB/Gray values, respectively. However, images tend to consist of many objects whose colors are not perfectly consistent, resulting in the challenge that image is actually a $\textit{discontinuous piecewise function}$ and cannot be well estimated by a continuous function. In this paper, we empirically investigate that if a neural network is enforced to fit a discontinuous piecewise function to reach a fixed small error, the time costs will increase exponentially with respect to the boundaries in the spatial domain of the target signal. We name this phenomenon the $\textit{exponential-increase}$ hypothesis. Under the $\textit{exponential-increase}$ hypothesis, learning INRs for images with many objects will converge very slowly. To address this issue, we first prove that partitioning a complex signal into several sub-regions and utilizing piecewise INRs to fit that signal can significantly speed up the convergence. Based on this fact, we introduce a simple partition mechanism to boost the performance of two INR methods for image reconstruction: one for learning INRs, and the other for learning-to-learn INRs. In both cases, we partition an image into different sub-regions and dedicate smaller networks for each part. In addition, we further propose two partition rules based on regular grids and semantic segmentation maps, respectively. Extensive experiments validate the effectiveness of the proposed partitioning methods in terms of learning INR for a single image (ordinary learning framework) and the learning-to-learn framework.

Ke Liu, Shangde Gao, Yichao Fu et al.

Medical image segmentation is inherently influenced by data uncertainty, arising from ambiguous boundaries in medical scans and inter-observer variability in diagnosis. To address this challenge, previous works formulated the multi-rater medical image segmentation task, where multiple experts provide separate annotations for each image. However, existing models are typically constrained to either generate diverse segmentation that lacks expert specificity or to produce personalized outputs that merely replicate individual annotators. We propose Probabilistic modeling of multi-rater medical image Segmentation (ProSeg) that simultaneously enables both diversification and personalization. Specifically, we introduce two latent variables to model expert annotation preferences and image boundary ambiguity. Their conditional probabilistic distributions are then obtained through variational inference, allowing segmentation outputs to be generated by sampling from these distributions. Extensive experiments on both the nasopharyngeal carcinoma dataset (NPC) and the lung nodule dataset (LIDC-IDRI) demonstrate that our ProSeg achieves a new state-of-the-art performance, providing segmentation results that are both diverse and expert-personalized. Code can be found in https://github.com/AI4MOL/ProSeg.

Zixuan Gong, Guangyin Bao, Qi Zhang et al.

Reconstruction of static visual stimuli from non-invasion brain activity fMRI achieves great success, owning to advanced deep learning models such as CLIP and Stable Diffusion. However, the research on fMRI-to-video reconstruction remains limited since decoding the spatiotemporal perception of continuous visual experiences is formidably challenging. We contend that the key to addressing these challenges lies in accurately decoding both high-level semantics and low-level perception flows, as perceived by the brain in response to video stimuli. To the end, we propose NeuroClips, an innovative framework to decode high-fidelity and smooth video from fMRI. NeuroClips utilizes a semantics reconstructor to reconstruct video keyframes, guiding semantic accuracy and consistency, and employs a perception reconstructor to capture low-level perceptual details, ensuring video smoothness. During inference, it adopts a pre-trained T2V diffusion model injected with both keyframes and low-level perception flows for video reconstruction. Evaluated on a publicly available fMRI-video dataset, NeuroClips achieves smooth high-fidelity video reconstruction of up to 6s at 8FPS, gaining significant improvements over state-of-the-art models in various metrics, e.g., a 128% improvement in SSIM and an 81% improvement in spatiotemporal metrics. Our project is available at https://github.com/gongzix/NeuroClips.

Yutong Xiao, Ran Ran, Jiwei Wei et al.

The rapid advancement of generative technologies has made synthetic images nearly indistinguishable from real ones, thereby creating an urgent need for robust detectors to counter misinformation. However, existing methods mainly rely on universal artifact features that are shared across multiple generators. We observe that as the diversity of generators increases, the overlap of these common features gradually decreases. This severely undermines model generalization. In contrast, focusing only on unique artifacts tends to cause overfitting to specific forgery patterns. To address this challenge, we propose LEGO (LoRA-Enabled Generator-Oriented Framework). The core mechanism of LEGO employs an MLP to modulate multiple LoRA (Low-Rank Adaptation) blocks, each pretrained to capture the unique artifacts of a specific generator, followed by attention-based feature fusion. Unlike conventional methods that seek a single universal solution, LEGO delegates unique artifact extraction to specialized LoRA modules by dividing its training procedure into two stages. Each LoRA module is individually trained on a single-generator dataset to learn generator-specific representations, then MLP and attention layers are trained on mixed datasets to dynamically regulate the contribution of each module. Benefiting from its modular yet robust design, LEGO can be naturally extended by incorporating new LoRA modules for adaptation to newly emerging next-generation datasets, while still achieving substantially better performance than prior SOTA methods with fewer than 30,000 training images, less than 10% of their training data, and only 5 epochs in each training stage.

Guangyin Bao, Qi Zhang, Duoqian Miao et al.

In real-world scenarios, multimodal federated learning often faces the practical challenge of intricate modality missing, which poses constraints on building federated frameworks and significantly degrades model inference accuracy. Existing solutions for addressing missing modalities generally involve developing modality-specific encoders on clients and training modality fusion modules on servers. However, these methods are primarily constrained to specific scenarios with either unimodal clients or complete multimodal clients, struggling to generalize effectively in the intricate modality missing scenarios. In this paper, we introduce a prototype library into the FedAvg-based Federated Learning framework, thereby empowering the framework with the capability to alleviate the global model performance degradation resulting from modality missing during both training and testing. The proposed method utilizes prototypes as masks representing missing modalities to formulate a task-calibrated training loss and a model-agnostic uni-modality inference strategy. In addition, a proximal term based on prototypes is constructed to enhance local training. Experimental results demonstrate the state-of-the-art performance of our approach. Compared to the baselines, our method improved inference accuracy by 3.7\% with 50\% modality missing during training and by 23.8\% during uni-modality inference. Code is available at https://github.com/BaoGuangYin/PmcmFL.

Yigui Feng, Qinglin Wang, Haotian Mo et al.

Generative psychological analysis of in-the-wild conversations faces two fundamental challenges: (1) existing Vision-Language Models (VLMs) fail to resolve Articulatory-Affective Ambiguity, where visual patterns of speech mimic emotional expressions; and (2) progress is stifled by a lack of verifiable evaluation metrics capable of assessing visual grounding and reasoning depth. We propose a complete ecosystem to address these twin challenges. First, we introduce Multilevel Insight Network for Disentanglement(MIND), a novel hierarchical visual encoder that introduces a Status Judgment module to algorithmically suppress ambiguous lip features based on their temporal feature variance, achieving explicit visual disentanglement. Second, we construct ConvoInsight-DB, a new large-scale dataset with expert annotations for micro-expressions and deep psychological inference. Third, Third, we designed the Mental Reasoning Insight Rating Metric (PRISM), an automated dimensional framework that uses expert-guided LLM to measure the multidimensional performance of large mental vision models. On our PRISM benchmark, MIND significantly outperforms all baselines, achieving a +86.95% gain in micro-expression detection over prior SOTA. Ablation studies confirm that our Status Judgment disentanglement module is the most critical component for this performance leap. Our code has been opened.

Mengxuan Li, Ke Liu, Hongyang Chen et al.

Time series anomaly detection aims to identify unusual patterns in data or deviations from systems' expected behavior. The reconstruction-based methods are the mainstream in this task, which learn point-wise representation via unsupervised learning. However, the unlabeled anomaly points in training data may cause these reconstruction-based methods to learn and reconstruct anomalous data, resulting in the challenge of capturing normal patterns. In this paper, we propose a time series anomaly detection method based on implicit neural representation (INR) reconstruction, named TSINR, to address this challenge. Due to the property of spectral bias, TSINR enables prioritizing low-frequency signals and exhibiting poorer performance on high-frequency abnormal data. Specifically, we adopt INR to parameterize time series data as a continuous function and employ a transformer-based architecture to predict the INR of given data. As a result, the proposed TSINR method achieves the advantage of capturing the temporal continuity and thus is more sensitive to discontinuous anomaly data. In addition, we further design a novel form of INR continuous function to learn inter- and intra-channel information, and leverage a pre-trained large language model to amplify the intense fluctuations in anomalies. Extensive experiments demonstrate that TSINR achieves superior overall performance on both univariate and multivariate time series anomaly detection benchmarks compared to other state-of-the-art reconstruction-based methods. Our codes are available.

Ke Liu, Shuaike Shen, Hao Chen

The paradigm of large language models in natural language processing (NLP) has also shown promise in modeling biological languages, including proteins, RNA, and DNA. Both the auto-regressive generation paradigm and evaluation metrics have been transferred from NLP to biological sequence modeling. However, the intrinsic structural correlations in natural and biological languages differ fundamentally. Therefore, we revisit the notion of language in biological systems to better understand how NLP successes can be effectively translated to biological domains. By treating the 3D structure of biomolecules as the semantic content of a sentence and accounting for the strong correlations between residues or bases, we highlight the importance of structural evaluation and demonstrate the applicability of the auto-regressive paradigm in biological language modeling. Code can be found at \href{https://github.com/zjuKeLiu/RiFold}{github.com/zjuKeLiu/RiFold}

Shuaike Shen, Ke Liu, Jiaqing Xie et al.

Foundation models for medical image segmentation struggle under out-of-distribution (OOD) shifts, often producing fragmented false positives on OOD tumors. We introduce R$^{2}$Seg, a training-free framework for robust OOD tumor segmentation that operates via a two-stage Reason-and-Reject process. First, the Reason step employs an LLM-guided anatomical reasoning planner to localize organ anchors and generate multi-scale ROIs. Second, the Reject step applies two-sample statistical testing to candidates generated by a frozen foundation model (BiomedParse) within these ROIs. This statistical rejection filter retains only candidates significantly different from normal tissue, effectively suppressing false positives. Our framework requires no parameter updates, making it compatible with zero-update test-time augmentation and avoiding catastrophic forgetting. On multi-center and multi-modal tumor segmentation benchmarks, R$^{2}$Seg substantially improves Dice, specificity, and sensitivity over strong baselines and the original foundation models. Code are available at https://github.com/Eurekashen/R2Seg.

Ke Liu, Zhaoyi Song, Haoyue Bai

This paper considers image change detection with only a small number of samples, which is a significant problem in terms of a few annotations available. A major impediment of image change detection task is the lack of large annotated datasets covering a wide variety of scenes. Change detection models trained on insufficient datasets have shown poor generalization capability. To address the poor generalization issue, we propose using simple image processing methods for generating synthetic but informative datasets, and design an early fusion network based on object detection which could outperform the siamese neural network. Our key insight is that the synthetic data enables the trained model to have good generalization ability for various scenarios. We compare the model trained on the synthetic data with that on the real-world data captured from a challenging dataset, CDNet, using six different test sets. The results demonstrate that the synthetic data is informative enough to achieve higher generalization ability than the insufficient real-world data. Besides, the experiment shows that utilizing a few (often tens of) samples to fine-tune the model trained on the synthetic data will achieve excellent results.

Ke Liu, Weian Mao, Shuaike Shen et al.

Motif scaffolding seeks to design scaffold structures for constructing proteins with functions derived from the desired motif, which is crucial for the design of vaccines and enzymes. Previous works approach the problem by inpainting or conditional generation. Both of them can only scaffold motifs with fixed positions, and the conditional generation cannot guarantee the presence of motifs. However, prior knowledge of the relative motif positions in a protein is not readily available, and constructing a protein with multiple functions in one protein is more general and significant because of the synergies between functions. We propose a Floating Anchor Diffusion (FADiff) model. FADiff allows motifs to float rigidly and independently in the process of diffusion, which guarantees the presence of motifs and automates the motif position design. Our experiments demonstrate the efficacy of FADiff with high success rates and designable novel scaffolds. To the best of our knowledge, FADiff is the first work to tackle the challenge of scaffolding multiple motifs without relying on the expertise of relative motif positions in the protein. Code is available at https://github.com/aim-uofa/FADiff.

Xiangqian Wang, Yifan Jia, Yang Xiang et al.

Standardized Student Evaluation of Teaching often suffer from low reliability, restricted response options, and response distortion. Existing machine learning methods that mine open-ended comments usually reduce feedback to binary sentiment, which overlooks concrete concerns such as content clarity, feedback timeliness, and instructor demeanor, and provides limited guidance for instructional improvement.We propose TeachPro, a multi-label learning framework that systematically assesses five key teaching dimensions: professional expertise, instructional behavior, pedagogical efficacy, classroom experience, and other performance metrics. We first propose a Dimension-Anchored Evidence Encoder, which integrates three core components: (i) a pre-trained text encoder that transforms qualitative feedback annotations into contextualized embeddings; (ii) a prompt module that represents five teaching dimensions as learnable semantic anchors; and (iii) a cross-attention mechanism that aligns evidence with pedagogical dimensions within a structured semantic space. We then propose a Cross-View Graph Synergy Network to represent student comments. This network comprises two components: (i) a Syntactic Branch that extracts explicit grammatical dependencies from parse trees, and (ii) a Semantic Branch that models latent conceptual relations derived from BERT-based similarity graphs. BiAffine fusion module aligns syntactic and semantic units, while a differential regularizer disentangles embeddings to encourage complementary representations. Finally, a cross-attention mechanism bridges the dimension-anchored evidence with the multi-view comment representations. We also contribute a novel benchmark dataset featuring expert qualitative annotations and multi-label scores. Extensive experiments demonstrate that TeachPro offers superior diagnostic granularity and robustness across diverse evaluation settings.

Ke Liu, Jiwei Wei, Shuchang Zhou et al.

Supervised talking head forgery detection faces severe generalization challenges due to the continuous evolution of generators. By reducing reliance on generator-specific forgery patterns, self-supervised detectors offer stronger cross-generator robustness. However, existing research has mainly focused on building stronger detectors, while the discriminative capacity of trained detectors remains insufficiently exploited. In particular, for score-based self-supervised detectors, the limited discriminative ability on hard cases is often reflected in unreliable anomaly ordering, leaving room for further refinement. Motivated by this observation, we draw inspiration from the dual-system theory of human cognition and propose a Training-Free Dual-System (TFDS) framework to further exploit the latent discriminative capacity of existing score-based self-supervised detectors. TFDS treats anomaly-like scores as the basis of System-1, using lightweight threshold-based routing to partition samples into confident and uncertain subsets. System-2 then revisits only the uncertain subset, performing fine-grained evidence-guided reasoning to refine the relative ordering of ambiguous samples within the original score distribution. Extensive experiments demonstrate consistent improvements across datasets and perturbation settings, with the gains arising mainly from corrected ordering within the uncertain subset. These findings show that existing self-supervised talking head forgery detectors still contain underexploited discriminative cues that can be effectively unlocked through training-free dual-system reasoning.

Zixuan Gong, Qi Zhang, Guangyin Bao et al.

Decoding natural visual scenes from brain activity has flourished, with extensive research in single-subject tasks and, however, less in cross-subject tasks. Reconstructing high-quality images in cross-subject tasks is a challenging problem due to profound individual differences between subjects and the scarcity of data annotation. In this work, we proposed MindTuner for cross-subject visual decoding, which achieves high-quality and rich semantic reconstructions using only 1 hour of fMRI training data benefiting from the phenomena of visual fingerprint in the human visual system and a novel fMRI-to-text alignment paradigm. Firstly, we pre-train a multi-subject model among 7 subjects and fine-tune it with scarce data on new subjects, where LoRAs with Skip-LoRAs are utilized to learn the visual fingerprint. Then, we take the image modality as the intermediate pivot modality to achieve fMRI-to-text alignment, which achieves impressive fMRI-to-text retrieval performance and corrects fMRI-to-image reconstruction with fine-tuned semantics. The results of both qualitative and quantitative analyses demonstrate that MindTuner surpasses state-of-the-art cross-subject visual decoding models on the Natural Scenes Dataset (NSD), whether using training data of 1 hour or 40 hours.

Shuchang Zhou, Shangkun Wu, Jiwei Wei et al.

AI-generated images are becoming increasingly realistic and diverse, posing significant challenges for generalizable detection. While Vision Foundation Models (VFMs) provide rich semantic representations and frequency-based methods capture complementary artifact cues, existing approaches that combine these modalities still suffer from limited generalization, with notable performance degradation on unseen generative models. We attribute this limitation to two key factors: frequency shortcut bias toward easily distinguishable cues associated with specific generators and cross-domain representation conflict between high-level semantics and low-level frequency patterns. To address these issues, we propose a Frequency-aware Gated Injection Network (FGINet) to improve generalization. Specifically, we design a Band-Masked Frequency Encoder (BMFE) that applies cross-band masking in the frequency domain to reduce reliance on generator-specific patterns and encourage more diverse and generalizable representations. We further introduce a Layer-wise Gated Frequency Injection (LGFI) mechanism to progressively inject frequency cues into the VFM backbone with adaptive gating, aligning with its hierarchical abstraction and alleviating representation conflict. Moreover, we propose a Hyperspherical Compactness Learning (HCL) framework with a cosine margin objective to learn compact and well-separated representations. Extensive experiments demonstrate that FGINet achieves state-of-the-art performance and strong generalization across multiple challenging datasets.

Zixuan Gong, Qi Zhang, Guangyin Bao et al.

The limited data availability and the low signal-to-noise ratio of fMRI signals lead to the challenging task of fMRI-to-image retrieval. State-of-the-art MindEye remarkably improves fMRI-to-image retrieval performance by leveraging a large model, i.e., a 996M MLP Backbone per subject, to align fMRI embeddings to the final hidden layer of CLIP's Vision Transformer (ViT). However, significant individual variations exist among subjects, even under identical experimental setups, mandating the training of large subject-specific models. The substantial parameters pose significant challenges in deploying fMRI decoding on practical devices. To this end, we propose Lite-Mind, a lightweight, efficient, and robust brain representation learning paradigm based on Discrete Fourier Transform (DFT), which efficiently aligns fMRI voxels to fine-grained information of CLIP. We elaborately design a DFT backbone with Spectrum Compression and Frequency Projector modules to learn informative and robust voxel embeddings. Our experiments demonstrate that Lite-Mind achieves an impressive 94.6% fMRI-to-image retrieval accuracy on the NSD dataset for Subject 1, with 98.7% fewer parameters than MindEye. Lite-Mind is also proven to be able to be migrated to smaller fMRI datasets and establishes a new state-of-the-art for zero-shot classification on the GOD dataset.

Jialong Guo, Ke liu, Jiangchao Yao et al.

Neural Representations for Videos (NeRV) has emerged as a promising implicit neural representation (INR) approach for video analysis, which represents videos as neural networks with frame indexes as inputs. However, NeRV-based methods are time-consuming when adapting to a large number of diverse videos, as each video requires a separate NeRV model to be trained from scratch. In addition, NeRV-based methods spatially require generating a high-dimension signal (i.e., an entire image) from the input of a low-dimension timestamp, and a video typically consists of tens of frames temporally that have a minor change between adjacent frames. To improve the efficiency of video representation, we propose Meta Neural Representations for Videos, named MetaNeRV, a novel framework for fast NeRV representation for unseen videos. MetaNeRV leverages a meta-learning framework to learn an optimal parameter initialization, which serves as a good starting point for adapting to new videos. To address the unique spatial and temporal characteristics of video modality, we further introduce spatial-temporal guidance to improve the representation capabilities of MetaNeRV. Specifically, the spatial guidance with a multi-resolution loss aims to capture the information from different resolution stages, and the temporal guidance with an effective progressive learning strategy could gradually refine the number of fitted frames during the meta-learning process. Extensive experiments conducted on multiple datasets demonstrate the superiority of MetaNeRV for video representations and video compression.

Yuanliang Zhang, Yifan Xie, Shanshan Li et al.

Recently, large language models (LLMs) have shown strong potential in code generation tasks. However, there are still gaps before they can be fully applied in actual software development processes. Accurately assessing the code generation capabilities of large language models has become an important basis for evaluating and improving the models. Some existing works have constructed datasets to evaluate the capabilities of these models. However, the current evaluation process may encounter the illusion of "Specialist in Familiarity", primarily due to three gaps: the exposure of target code, case timeliness, and dependency availability. The fundamental reason for these gaps is that the code in current datasets may have been extensively exposed and exercised during the training phase, and due to the continuous training and development of LLM, their timeliness has been severely compromised. The key to solve the problem is to, as much as possible, evaluate the LLMs using code that they have not encountered before. Thus, the fundamental idea in this paper is to draw on the concept of code obfuscation, changing code at different levels while ensuring the functionality and output. To this end, we build a code-obfuscation based benchmark OBFUSEVAL. We first collect 1,354 raw cases from five real-world projects, including function description and code. Then we use three-level strategy (symbol, structure and semantic) to obfuscate descriptions, code and context dependencies. We evaluate four LLMs on OBFU- SEVAL and compared the effectiveness of different obfuscation strategy. We use official test suites of these projects to evaluate the generated code. The results show that after obfuscation, the average decrease ratio of test pass rate can up to 62.5%.

Ke Liu, Mark Hansen

Ground Delay Programs (GDPs) have been widely used to resolve excessive demand-capacity imbalances at arrival airports by shifting foreseen airborne delay to pre-departure ground delay. While offering clear safety and efficiency benefits, GDPs may also create additional delay because of imperfect execution and uncertainty in predicting arrival airport capacity. This paper presents a methodology for measuring excess delay resulting from individual GDPs and investigates factors that influence excess delay using regularized regression models. We measured excess delay for 1210 GDPs from 33 U.S. airports in 2019. On a per-restricted flight basis, the mean excess delay is 35.4 min with std of 20.6 min. In our regression analysis of the variation in excess delay, ridge regression is found to perform best. The factors affecting excess delay include time variations during gate out and taxi out for flights subject to the GDP, program rate setting and revisions, and GDP time duration.

Ke Liu, Kaijing Ding, Xi Cheng et al.

Since flight delay hurts passengers, airlines, and airports, its prediction becomes crucial for the decision-making of all stakeholders in the aviation industry and thus has been attempted by various previous research. However, previous delay predictions are often categorical and at a highly aggregated level. To improve that, this study proposes to apply the novel Temporal Fusion Transformer model and predict numerical airport arrival delays at quarter hour level for U.S. top 30 airports. Inputs to our model include airport demand and capacity forecasts, historic airport operation efficiency information, airport wind and visibility conditions, as well as enroute weather and traffic conditions. The results show that our model achieves satisfactory performance measured by small prediction errors on the test set. In addition, the interpretability analysis of the model outputs identifies the important input factors for delay prediction.

Ke Liu, Kaijing Ding, Lu Dai et al.

In this paper, we employ the long-short-term memory model (LSTM) to predict the real-time go-around probability as an arrival flight is approaching JFK airport and within 10 nm of the landing runway threshold. We further develop methods to examine the causes to go-around occurrences both from a global view and an individual flight perspective. According to our results, in-trail spacing, and simultaneous runway operation appear to be the top factors that contribute to overall go-around occurrences. We then integrate these pre-trained models and analyses with real-time data streaming, and finally develop a demo web-based user interface that integrates the different components designed previously into a real-time tool that can eventually be used by flight crews and other line personnel to identify situations in which there is a high risk of a go-around.

Ruiyan Zhu, Xi Cheng, Ke Liu et al.

We present SheetMind, a modular multi-agent framework powered by large language models (LLMs) for spreadsheet automation via natural language instructions. The system comprises three specialized agents: a Manager Agent that decomposes complex user instructions into subtasks; an Action Agent that translates these into structured commands using a Backus Naur Form (BNF) grammar; and a Reflection Agent that validates alignment between generated actions and the user's original intent. Integrated into Google Sheets via a Workspace extension, SheetMind supports real-time interaction without requiring scripting or formula knowledge. Experiments on benchmark datasets demonstrate an 80 percent success rate on single step tasks and approximately 70 percent on multi step instructions, outperforming ablated and baseline variants. Our results highlight the effectiveness of multi agent decomposition and grammar based execution for bridging natural language and spreadsheet functionalities.

Ke Liu, Fan Hu, Hui Lin et al.

This paper explores the optimization of Ground Delay Programs (GDP), a prevalent Traffic Management Initiative used in Air Traffic Management (ATM) to reconcile capacity and demand discrepancies at airports. Employing Reinforcement Learning (RL) to manage the inherent uncertainties in the national airspace system-such as weather variability, fluctuating flight demands, and airport arrival rates-we developed two RL models: Behavioral Cloning (BC) and Conservative Q-Learning (CQL). These models are designed to enhance GDP efficiency by utilizing a sophisticated reward function that integrates ground and airborne delays and terminal area congestion. We constructed a simulated single-airport environment, SAGDP_ENV, which incorporates real operational data along with predicted uncertainties to facilitate realistic decision-making scenarios. Utilizing the whole year 2019 data from Newark Liberty International Airport (EWR), our models aimed to preemptively set airport program rates. Despite thorough modeling and simulation, initial outcomes indicated that the models struggled to learn effectively, attributed potentially to oversimplified environmental assumptions. This paper discusses the challenges encountered, evaluates the models' performance against actual operational data, and outlines future directions to refine RL applications in ATM.

Ke Liu, Jing Ma, Edmund M-K Lai

This paper presents an Adaptive Dynamic Attribute and Rule (ADAR) framework designed to address the challenges posed by high-dimensional data in neuro-fuzzy inference systems. By integrating dual weighting mechanisms-assigning adaptive importance to both attributes and rules-together with automated growth and pruning strategies, ADAR adaptively streamlines complex fuzzy models without sacrificing performance or interpretability. Experimental evaluations on four diverse datasets - Auto MPG (7 variables), Beijing PM2.5 (10 variables), Boston Housing (13 variables), and Appliances Energy Consumption (27 variables) show that ADAR-based models achieve consistently lower Root Mean Square Error (RMSE) compared to state-of-the-art baselines. On the Beijing PM2.5 dataset, for instance, ADAR-SOFENN attained an RMSE of 56.87 with nine rules, surpassing traditional ANFIS [12] and SOFENN [16] models. Similarly, on the high-dimensional Appliances Energy dataset, ADAR-ANFIS reached an RMSE of 83.25 with nine rules, outperforming established fuzzy logic approaches and interpretability-focused methods such as APLR. Ablation studies further reveal that combining rule-level and attribute-level weight assignment significantly reduces model overlap while preserving essential features, thereby enhancing explainability. These results highlight ADAR's effectiveness in dynamically balancing rule complexity and feature importance, paving the way for scalable, high-accuracy, and transparent neuro-fuzzy systems applicable to a range of real-world scenarios.

Zongbiao Li, Xiezhao Li, Yinghao Cui et al.

The number of parameters in large-scale language models based on transformers is gradually increasing, and the scale of computing clusters is also growing. The technology of quickly mobilizing large amounts of computing resources for parallel computing is becoming increasingly important. In this paper, we propose an automatic parallel algorithm that automatically plans the parallel strategy with maximum throughput based on model and hardware information. By decoupling the training time into computation, communication, and overlap, we established a training duration simulation model. Based on this simulation model, we prune the parallel solution space to shorten the search time required. The multi-node experiment results show that the algorithm can estimate the parallel training duration in real time with an average accuracy of 96%. In our test, the recommendation strategy provided by the algorithm is always globally optimal.

Shangde Gao, Yichao Fu, Ke Liu et al.

Recently, many foundation models for medical image analysis such as MedSAM, SwinUNETR have been released and proven to be useful in multiple tasks. However, considering the inherent heterogeneity and inhomogeneity of real-world medical data, directly applying these models to specific medical image segmentation tasks often leads to negative domain shift effects, which can severely weaken the model's segmentation capabilities. To this end, we propose an adaptive amalgamation knowledge framework that aims to train a versatile foundation model to handle the joint goals of multiple expert models, each specialized for a distinct task. Specifically, we first train an nnUNet-based expert model for each task, and reuse the pre-trained SwinUNTER as the target foundation model. Then, the input data for all challenging tasks are encoded in the foundation model and the expert models, respectively, and their backbone features are jointly projected into the adaptive amalgamation layer. Within the hidden layer, the hierarchical attention mechanisms are designed to achieve adaptive merging of the target model to the hidden layer feature knowledge of all experts, which significantly reduces the domain shift arising from the inter-task differences. Finally, the gold amalgamated features and the prompt features are fed into the mask decoder to obtain the segmentation results. Extensive experiments conducted in these challenging tasks demonstrate the effectiveness and adaptability of our foundation model for real-world medical image segmentation.

Yigui Feng, Qinglin Wang, Yang Liu et al.

Accurately analyzing spontaneous, unconscious micro-expressions is crucial for revealing true human emotions, but this task remains challenging in wild scenarios, such as natural conversation. Existing research largely relies on datasets from controlled laboratory environments, and their performance degrades dramatically in the real world. To address this issue, we propose three contributions: the first micro-expression dataset focused on conversational-in-the-wild scenarios; an end-to-end localization and detection framework, MELDAE; and a novel boundary-aware loss function that improves temporal accuracy by penalizing onset and offset errors. Extensive experiments demonstrate that our framework achieves state-of-the-art results on the WDMD dataset, improving the key F1_{DR} localization metric by 17.72% over the strongest baseline, while also demonstrating excellent generalization capabilities on existing benchmarks.

Borja Ocejo, Ruofan Wang, Ke Liu et al.

Notifications are an important communication channel for delivering timely and relevant information. Optimizing their delivery involves addressing complex sequential decision-making challenges under constraints such as message utility and user fatigue. Offline reinforcement learning (RL) methods, such as Conservative Q-Learning (CQL), have been applied to this problem but face practical challenges at scale, including instability, sensitivity to distribution shifts, limited reproducibility, and difficulties with explainability in high-dimensional recommendation settings. We present a Decision Transformer (DT) based framework that reframes policy learning as return-conditioned supervised learning, improving robustness, scalability, and modeling flexibility. Our contributions include a real-world comparison with CQL, a multi-reward design suitable for non-episodic tasks, a quantile regression approach to return-to-go conditioning, and a production-ready system with circular buffer-based sequence processing for near-real-time inference. Extensive offline and online experiments in a deployed notification system show that our approach improves notification utility and overall session activity while minimizing user fatigue. Compared to a multi-objective CQL-based agent, the DT-based approach achieved a +0.72% increase in sessions for notification decision-making at LinkedIn by making notification recommendation more relevant.

Xuecheng Zou, Ke Liu, Bingbing Wang et al.

Building upon the standard graph-based Retrieval-Augmented Generation (RAG), the introduction of heterogeneous graphs and hypergraphs aims to enrich retrieval and generation by leveraging the relationships between multiple entities through the concept of semantic units (SUs). But this also raises a key issue: The extraction of high-level SUs limited to local text chunks is prone to ambiguity, complex coupling, and increased retrieval overhead due to the lack of global knowledge or the neglect of fine-grained relationships. To address these issues, we propose GOSU, a semantic unit-centric RAG framework that efficiently performs global disambiguation and utilizes SUs to capture interconnections between different nodes across the global context. In the graph construction phase, GOSU performs global merging on the pre-extracted SUs from local text chunks and guides entity and relationship extraction, reducing the difficulty of coreference resolution while uncovering global semantic objects across text chunks. In the retrieval and generation phase, we introduce hierarchical keyword extraction and semantic unit completion. The former uncovers the fine-grained binary relationships overlooked by the latter, while the latter compensates for the coarse-grained n-ary relationships missing from the former. Evaluation across multiple tasks demonstrates that GOSU outperforms the baseline RAG methods in terms of generation quality.

Ke Liu, Xuanhan Wang, Qilong Zhang et al.

Deep image watermarking, which refers to enable imperceptible watermark embedding and reliable extraction in cover images, has shown to be effective for copyright protection of image assets. However, existing methods face limitations in simultaneously satisfying three essential criteria for generalizable watermarking: 1) invisibility (imperceptible hide of watermarks), 2) robustness (reliable watermark recovery under diverse conditions), and 3) broad applicability (low latency in watermarking process). To address these limitations, we propose a Hierarchical Watermark Learning (HiWL), a two-stage optimization that enable a watermarking model to simultaneously achieve three criteria. In the first stage, distribution alignment learning is designed to establish a common latent space with two constraints: 1) visual consistency between watermarked and non-watermarked images, and 2) information invariance across watermark latent representations. In this way, multi-modal inputs including watermark message (binary codes) and cover images (RGB pixels) can be well represented, ensuring the invisibility of watermarks and robustness in watermarking process thereby. The second stage employs generalized watermark representation learning to establish a disentanglement policy for separating watermarks from image content in RGB space. In particular, it strongly penalizes substantial fluctuations in separated RGB watermarks corresponding to identical messages. Consequently, HiWL effectively learns generalizable latent-space watermark representations while maintaining broad applicability. Extensive experiments demonstrate the effectiveness of proposed method. In particular, it achieves 7.6\% higher accuracy in watermark extraction than existing methods, while maintaining extremely low latency (100K images processed in 8s).

Xuanhan Wang, Huimin Deng, Ke Liu et al.

Human-centric vision models (HVMs) have achieved remarkable generalization due to large-scale pretraining on massive person images. However, their dependence on large neural architectures and the restricted accessibility of pretraining data significantly limits their practicality in real-world applications. To address this limitation, we propose Dynamic Pattern Alignment Learning (DPAL), a novel distillation-based pretraining framework that efficiently trains lightweight HVMs to acquire strong generalization from large HVMs. In particular, human-centric visual perception are highly dependent on three typical visual patterns, including global identity pattern, local shape pattern and multi-person interaction pattern. To achieve generalizable lightweight HVMs, we firstly design a dynamic pattern decoder (D-PaDe), acting as a dynamic Mixture of Expert (MoE) model. It incorporates three specialized experts dedicated to adaptively extract typical visual patterns, conditioned on both input image and pattern queries. And then, we present three levels of alignment objectives, which aims to minimize generalization gap between lightweight HVMs and large HVMs at global image level, local pixel level, and instance relation level. With these two deliberate designs, the DPAL effectively guides lightweight model to learn all typical human visual patterns from large HVMs, which can generalize to various human-centric vision tasks. Extensive experiments conducted on 15 challenging datasets demonstrate the effectiveness of the DPAL. Remarkably, when employing PATH-B as the teacher, DPAL-ViT/Ti (5M parameters) achieves surprising generalizability similar to existing large HVMs such as PATH-B (84M) and Sapiens-L (307M), and outperforms previous distillation-based pretraining methods including Proteus-ViT/Ti (5M) and TinyMiM-ViT/Ti (5M) by a large margin.

Shuo Tong, Shangde Gao, Ke Liu et al.

Automatic disease image grading is a significant application of artificial intelligence for healthcare, enabling faster and more accurate patient assessments. However, domain shifts, which are exacerbated by data imbalance, introduce bias into the model, posing deployment difficulties in clinical applications. To address the problem, we propose a novel \textbf{U}ncertainty-aware \textbf{M}ulti-experts \textbf{K}nowledge \textbf{D}istillation (UMKD) framework to transfer knowledge from multiple expert models to a single student model. Specifically, to extract discriminative features, UMKD decouples task-agnostic and task-specific features with shallow and compact feature alignment in the feature space. At the output space, an uncertainty-aware decoupled distillation (UDD) mechanism dynamically adjusts knowledge transfer weights based on expert model uncertainties, ensuring robust and reliable distillation. Additionally, UMKD also tackles the problems of model architecture heterogeneity and distribution discrepancies between source and target domains, which are inadequately tackled by previous KD approaches. Extensive experiments on histology prostate grading (\textit{SICAPv2}) and fundus image grading (\textit{APTOS}) demonstrate that UMKD achieves a new state-of-the-art in both source-imbalanced and target-imbalanced scenarios, offering a robust and practical solution for real-world disease image grading.

Guang Yang, Yu Zhou, Xiangyu Zhang et al.

The extensive application of Large Language Models (LLMs) in generative coding tasks has raised concerns due to their high computational demands and energy consumption. Unlike previous structural pruning methods designed for classification models that deal with lowdimensional classification logits, generative Code LLMs produce high-dimensional token logit sequences, making traditional pruning objectives inherently limited. Moreover, existing single component pruning approaches further constrain the effectiveness when applied to generative Code LLMs. In response, we propose Flab-Pruner, an innovative unified structural pruning method that combines vocabulary, layer, and Feed-Forward Network (FFN) pruning. This approach effectively reduces model parameters while maintaining performance. Additionally, we introduce a customized code instruction data strategy for coding tasks to enhance the performance recovery efficiency of the pruned model. Through extensive evaluations on three state-of-the-art Code LLMs across multiple generative coding tasks, the results demonstrate that Flab-Pruner retains 97% of the original performance after pruning 22% of the parameters and achieves the same or even better performance after post-training. The pruned models exhibit significant improvements in storage, GPU usage, computational efficiency, and environmental impact, while maintaining well robustness. Our research provides a sustainable solution for green software engineering and promotes the efficient deployment of LLMs in real-world generative coding intelligence applications.

Yu Zhang, Qi Zhang, Zixuan Gong et al.

Contrastive Language-Image Pretraining (CLIP) has achieved remarkable success, leading to rapid advancements in multimodal studies. However, CLIP faces a notable challenge in terms of inefficient data utilization. It relies on a single contrastive supervision for each image-text pair during representation learning, disregarding a substantial amount of valuable information that could offer richer supervision. Additionally, the retention of non-informative tokens leads to increased computational demands and time costs, particularly in CLIP's ViT image encoder. To address these issues, we propose Multi-Perspective Language-Image Pretraining (MLIP). In MLIP, we leverage the frequency transform's sensitivity to both high and low-frequency variations, which complements the spatial domain's sensitivity limited to low-frequency variations only. By incorporating frequency transforms and token-level alignment, we expand CILP's single supervision into multi-domain and multi-level supervision, enabling a more thorough exploration of informative image features. Additionally, we introduce a token merging method guided by comprehensive semantics from the frequency and spatial domains. This allows us to merge tokens to multi-granularity tokens with a controllable compression rate to accelerate CLIP. Extensive experiments validate the effectiveness of our design.

Ke Liu, Guang Yang, Xiang Chen et al.

On Stack Overflow, developers can not only browse question posts to solve their programming problems but also gain expertise from the question posts to help improve their programming skills. Therefore, improving the quality of question posts in Stack Overflow has attracted the wide attention of researchers. A concise and precise title can play an important role in helping developers understand the key information of the question post, which can improve the post quality. However, the quality of the generated title is not high due to the lack of professional knowledge related to their questions or the poor presentation ability of developers. A previous study aimed to automatically generate the title by analyzing the code snippets in the question post. However, this study ignored the useful information in the corresponding problem description. Therefore, we propose an approach SOTitle for automatic post title generation by leveraging the code snippets and the problem description in the question post (i.e., the multi-modal input). SOTitle follows the Transformer structure, which can effectively capture long-term dependencies through a multi-head attention mechanism. To verify the effectiveness of SOTitle, we construct a large-scale high-quality corpus from Stack Overflow, which includes 1,168,257 high-quality question posts for four popular programming languages. Experimental results show that SOTitle can significantly outperform six state-of-the-art baselines in both automatic evaluation and human evaluation. To encourage follow-up studies, we make our corpus and approach publicly available

Bei Yang, Jie Gu, Ke Liu et al.

User Modeling plays an essential role in industry. In this field, task-agnostic approaches, which generate general-purpose representation applicable to diverse downstream user cognition tasks, is a promising direction being more valuable and economical than task-specific representation learning. With the rapid development of Internet service platforms, user behaviors have been accumulated continuously. However, existing general-purpose user representation researches have little ability for full-life cycle modeling on extremely long behavior sequences since user registration. In this study, we propose a novel framework called full- Life cycle User Representation Model (LURM) to tackle this challenge. Specifically, LURM consists of two cascaded sub-models: (I) Bag-of-Interests (BoI) encodes user behaviors in any time period into a sparse vector with super-high dimension (e.g., 10^5); (II) Self-supervised Multi-anchor Encoder Network (SMEN) maps sequences of BoI features to multiple low-dimensional user representations. Specially, SMEN achieves almost lossless dimensionality reduction, benefiting from a novel multi-anchor module which can learn different aspects of user interests. Experiments on several benchmark datasets show that our approach outperforms state-of-the-art general-purpose representation methods.

Xin Jin, Zhonglan Li, Ke Liu et al.

In industry, there exist plenty of scenarios where old gray photos need to be automatically colored, such as video sites and archives. In this paper, we present the HistoryNet focusing on historical person's diverse high fidelity clothing colorization based on fine grained semantic understanding and prior. Colorization of historical persons is realistic and practical, however, existing methods do not perform well in the regards. In this paper, a HistoryNet including three parts, namely, classification, fine grained semantic parsing and colorization, is proposed. Classification sub-module supplies classifying of images according to the eras, nationalities and garment types; Parsing sub-network supplies the semantic for person contours, clothing and background in the image to achieve more accurate colorization of clothes and persons and prevent color overflow. In the training process, we integrate classification and semantic parsing features into the coloring generation network to improve colorization. Through the design of classification and parsing subnetwork, the accuracy of image colorization can be improved and the boundary of each part of image can be more clearly. Moreover, we also propose a novel Modern Historical Movies Dataset (MHMD) containing 1,353,166 images and 42 labels of eras, nationalities, and garment types for automatic colorization from 147 historical movies or TV series made in modern time. Various quantitative and qualitative comparisons demonstrate that our method outperforms the state-of-the-art colorization methods, especially on military uniforms, which has correct colors according to the historical literatures.

Xiangyan Sun, Ke Liu, Yuquan Lin et al.

We have developed an end-to-end, retrosynthesis system, named ChemiRise, that can propose complete retrosynthesis routes for organic compounds rapidly and reliably. The system was trained on a processed patent database of over 3 million organic reactions. Experimental reactions were atom-mapped, clustered, and extracted into reaction templates. We then trained a graph convolutional neural network-based one-step reaction proposer using template embeddings and developed a guiding algorithm on the directed acyclic graph (DAG) of chemical compounds to find the best candidate to explore. The atom-mapping algorithm and the one-step reaction proposer were benchmarked against previous studies and showed better results. The final product was demonstrated by retrosynthesis routes reviewed and rated by human experts, showing satisfying functionality and a potential productivity boost in real-life use cases.

Guang Yang, Xiang Chen, Jinxin Cao et al.

Developers often write low-quality code comments due to the lack of programming experience, which can reduce the efficiency of developers program comprehension. Therefore, developers hope that code comment generation tools can be developed to illustrate the functionality and purpose of the code. Recently, researchers mainly model this problem as the neural machine translation problem and tend to use deep learning-based methods. In this study, we propose a novel method ComFormer based on Transformer and fusion method-based hybrid code presentation. Moreover, to alleviate OOV (out-of-vocabulary) problem and speed up model training, we further utilize the Byte-BPE algorithm to split identifiers and Sim_SBT method to perform AST Traversal. We compare ComFormer with seven state-of-the-art baselines from code comment generation and neural machine translation domains. Comparison results show the competitiveness of ComFormer in terms of three performance measures. Moreover, we perform a human study to verify that ComFormer can generate high-quality comments.

ZengShun Zhaoa, Yulong Wang, Ke Liu et al.

While most existing segmentation methods usually combined the powerful feature extraction capabilities of CNNs with Conditional Random Fields (CRFs) post-processing, the result always limited by the fault of CRFs . Due to the notoriously slow calculation speeds and poor efficiency of CRFs, in recent years, CRFs post-processing has been gradually eliminated. In this paper, an improved Generative Adversarial Networks (GANs) for image semantic segmentation task (semantic segmentation by GANs, Seg-GAN) is proposed to facilitate further segmentation research. In addition, we introduce Convolutional CRFs (ConvCRFs) as an effective improvement solution for the image semantic segmentation task. Towards the goal of differentiating the segmentation results from the ground truth distribution and improving the details of the output images, the proposed discriminator network is specially designed in a full convolutional manner combined with cascaded ConvCRFs. Besides, the adversarial loss aggressively encourages the output image to be close to the distribution of the ground truth. Our method not only learns an end-to-end mapping from input image to corresponding output image, but also learns a loss function to train this mapping. The experiments show that our method achieves better performance than state-of-the-art methods.

Ke Liu, Zekun Ni, Zhenyu Zhou et al.

Molecular modeling is an important topic in drug discovery. Decades of research have led to the development of high quality scalable molecular force fields. In this paper, we show that neural networks can be used to train a universal approximator for energy potential functions. By incorporating a fully automated training process we have been able to train smooth, differentiable, and predictive potential functions on large-scale crystal structures. A variety of tests have also been performed to show the superiority and versatility of the machine-learned model.

Nihal Rao, Ke Liu, Marc Machaczek et al.

We use a recently developed interpretable and unsupervised machine-learning method, the tensorial kernel support vector machine (TK-SVM), to investigate the low-temperature classical phase diagram of a generalized Heisenberg-Kitaev-$Γ$ ($J$-$K$-$Γ$) model on a honeycomb lattice. Aside from reproducing phases reported by previous quantum and classical studies, our machine finds a hitherto missed nested zigzag-stripy order and establishes the robustness of a recently identified modulated $S_3 \times Z_3$ phase, which emerges through the competition between the Kitaev and $Γ$ spin liquids, against Heisenberg interactions. The results imply that, in the restricted parameter space spanned by the three primary exchange interactions -- $J$, $K$, and $Γ$, the representative Kitaev material $α$-${\rm RuCl}_3$ lies close to the boundaries of several phases, including a simple ferromagnet, the unconventional $S_3 \times Z_3$ and nested zigzag-stripy magnets. A zigzag order is stabilized by a finite $Γ^{\prime}$ and/or $J_3$ term, whereas the four magnetic orders may compete in particular if $Γ^{\prime}$ is anti-ferromagnetic.