Yuzhe Wang

Yu Wang, Chao Pang, Yuzhe Wang et al.

Leveraging artificial intelligence for automatic retrosynthesis speeds up organic pathway planning in digital laboratories. However, existing deep learning approaches are unexplainable, like "black box" with few insights, notably limiting their applications in real retrosynthesis scenarios. Here, we propose MechRetro, a chemical-mechanism-driven graph learning framework for interpretable retrosynthetic prediction and pathway planning, which learns several retrosynthetic actions to simulate a reverse reaction via elaborate self-adaptive joint learning. By integrating chemical knowledge as prior information, we design a novel Graph Transformer architecture to adaptively learn discriminative and chemically meaningful molecule representations, highlighting the strong capacity in molecule feature representation learning. We demonstrate that MechRetro outperforms the state-of-the-art approaches for retrosynthetic prediction with a large margin on large-scale benchmark datasets. Extending MechRetro to the multi-step retrosynthesis analysis, we identify efficient synthetic routes via an interpretable reasoning mechanism, leading to a better understanding in the realm of knowledgeable synthetic chemists. We also showcase that MechRetro discovers a novel pathway for protokylol, along with energy scores for uncertainty assessment, broadening the applicability for practical scenarios. Overall, we expect MechRetro to provide meaningful insights for high-throughput automated organic synthesis in drug discovery.

Jiayi Yao, Ping Li, Xiatao Kang et al.

Convolutional Neural Network (CNN) is more and more widely used in various fileds, and its computation and memory-demand are also increasing significantly. In order to make it applicable to limited conditions such as embedded application, network compression comes out. Among them, researchers pay more attention to network pruning. In this paper, we encode the convolution network to obtain the similarity of different encoding nodes, and evaluate the connectivity-power among convolutional kernels on the basis of the similarity. Then impose different level of penalty according to different connectivity-power. Meanwhile, we propose Channel Pruning base on the Dissimilarity of Angle (DACP). Firstly, we train a sparse model by GL penalty, and impose an angle dissimilarity constraint on the channels and filters of convolutional network to obtain a more sparse structure. Eventually, the effectiveness of our method is demonstrated in the section of experiment. On CIFAR-10, we reduce 66.86% FLOPs on VGG-16 with 93.31% accuracy after pruning, where FLOPs represents the number of floating-point operations per second of the model. Moreover, on ResNet-32, we reduce FLOPs by 58.46%, which makes the accuracy after pruning reach 91.76%.

Thomas Thebaud, Yuzhe Wang, Laureano Moro-Velazquez et al.

Speech-aware large language models (LLMs) can accept speech inputs, yet their training objectives largely emphasize linguistic content or specific fields such as emotions or the speaker's gender, leaving it unclear whether they encode speaker identity. First, we propose a model-agnostic scoring protocol that produces continuous verification scores for both API-only and open-weight models, using confidence scores or log-likelihood ratios from the Yes/No token probabilities. Using this protocol, we benchmark recent speech-aware LLMs and observe weak speaker discrimination (EERs above 20% on VoxCeleb1). Second, we introduce a lightweight augmentation that equips an LLM with ASV capability by injecting frozen ECAPA-TDNN speaker embeddings through a learned projection and training only LoRA adapters. On TinyLLaMA-1.1B, the resulting ECAPA-LLM achieves 1.03% EER on VoxCeleb1-E, approaching a dedicated speaker verification system while preserving a natural-language interface.

Fengbin Zhu, Zijing Cai, Yuzhe Wang et al.

Visual Document Retrieval (VDR) requires representations that capture both fine-grained visual details and global document structure to ensure retrieval efficacy while maintaining computational efficiency. Existing VDR models struggle to balance effectiveness and efficiency when processing high-resolution documents: they often either lose fine-grained information or generate an excessive number of visual tokens, resulting in significant indexing overhead and high retrieval latency. In this work, we rethink the visual encoding mechanism and propose a new X-VisEmb paradigm that progresses from multi-resolution sampling and encoding, through cross-granularity feature fusion, to adaptive representation distillation. A preliminary study validates its feasibility and effectiveness in capturing complementary visual cues at varying scales. Building on the insights, we develop MURE, a novel framework that employs VLMs as a hierarchical multi-resolution encoder, integrates resolution-level Matryoshka representation learning (RMRL) for effective feature fusion, and applies a semantic-aware hierarchical clustering mechanism for visual token compression. Experiments on two widely used VDR benchmarks show that our MURE framework consistently beats strong baselines. Furthermore, it significantly outperforms ColPali with only 50% of its visual token budget.

Jiangyifei Zhu, Yuzhe Wang, Tao Qiang et al.

In this paper, our goal is to enable quantitative feedback on muscle fatigue during exercise to optimize exercise effectiveness while minimizing injury risk. We seek to capture fatigue by monitoring surface vibrations that muscle exertion induces. Muscle vibrations are unique as they arise from the asynchronous firing of motor units, producing surface micro-displacements that are broadband, nonlinear, and seemingly stochastic. Accurately sensing these noise-like signals requires new algorithmic strategies that can uncover their underlying structure. We present GigaFlex the first contactless system that measures muscle vibrations using mmWave radar to infer muscle force and detect fatigue. GigaFlex draws on algorithmic foundations from Chaos theory to model the deterministic patterns of muscle vibrations and extend them to the radar domain. Specifically, we design a radar processing architecture that systematically infuses principles from Chaos theory and nonlinear dynamics throughout the sensing pipeline, spanning localization, segmentation, and learning, to estimate muscle forces during static and dynamic weight-bearing exercises. Across a 23-participant study, GigaFlex estimates maximum voluntary isometric contraction (MVIC) root mean square error (RMSE) of 5.9\%, and detects one to three Repetitions in Reserve (RIR), a key quantitative muscle fatigue metric, with an AUC of 0.83 to 0.86, performing comparably to a contact-based IMU baseline. Our system can enable timely feedback that can help prevent fatigue-induced injury, and opens new opportunities for physiological sensing of complex, non-periodic biosignals.

Ziming Huang, Xurui Li, Haotian Liu et al.

Recently, multi-class anomaly classification has garnered increasing attention. Previous methods directly cluster anomalies but often struggle due to the lack of anomaly-prior knowledge. Acquiring this knowledge faces two issues: the non-prominent and weak-semantics anomalies. In this paper, we propose AnomalyNCD, a multi-class anomaly classification network compatible with different anomaly detection methods. To address the non-prominence of anomalies, we design main element binarization (MEBin) to obtain anomaly-centered images, ensuring anomalies are learned while avoiding the impact of incorrect detections. Next, to learn anomalies with weak semantics, we design mask-guided representation learning, which focuses on isolated anomalies guided by masks and reduces confusion from erroneous inputs through corrected pseudo labels. Finally, to enable flexible classification at both region and image levels, we develop a region merging strategy that determines the overall image category based on the classified anomaly regions. Our method outperforms the state-of-the-art works on the MVTec AD and MTD datasets. Compared with the current methods, AnomalyNCD combined with zero-shot anomaly detection method achieves a 10.8% $F_1$ gain, 8.8% NMI gain, and 9.5% ARI gain on MVTec AD, and 12.8% $F_1$ gain, 5.7% NMI gain, and 10.8% ARI gain on MTD. Code is available at https://github.com/HUST-SLOW/AnomalyNCD.

Yuzhe Wang, Yaochen Zhu, Jundong Li

As large language models (LLMs) witness increasing deployment in complex, high-stakes decision-making scenarios, it becomes imperative to ground their reasoning in causality rather than spurious correlations. However, strong performance on traditional reasoning benchmarks does not guarantee true causal reasoning ability of LLMs, as high accuracy may still arise from memorizing semantic patterns instead of analyzing the underlying true causal structures. To bridge this critical gap, we propose a new causal reasoning benchmark, CausalFlip, designed to encourage the development of new LLM paradigm or training algorithms that ground LLM reasoning in causality rather than semantic correlation. CausalFlip consists of causal judgment questions built over event triples that could form different confounder, chain, and collider relations. Based on this, for each event triple, we construct pairs of semantically similar questions that reuse the same events but yield opposite causal answers, where models that rely heavily on semantic matching are systematically driven toward incorrect predictions. To further probe models' reliance on semantic patterns, we introduce a noisy-prefix evaluation that prepends causally irrelevant text before intermediate causal reasoning steps without altering the underlying causal relations or the logic of the reasoning process. We evaluate LLMs under multiple training paradigms, including answer-only training, explicit Chain-of-Thought (CoT) supervision, and a proposed internalized causal reasoning approach that aims to mitigate explicit reliance on correlation in the reasoning process. Our results show that explicit CoT can still be misled by spurious semantic correlations, where internalizing reasoning steps yields substantially improved causal grounding, suggesting that it is promising to better elicit the latent causal reasoning capabilities of base LLMs.

Xiaoyuan Li, Yuzhe Wang, Moxin Li et al.

Large Language Models (LLMs) achieve strong performance on standard knowledge evaluation benchmarks, yet recent work shows that their knowledge capabilities remain brittle under question variants that test the same knowledge in different forms. Robustness augmentation of existing knowledge evaluation benchmarks is therefore necessary, but current LLM-assisted generate-then-verify pipelines are costly and difficult to scale due to low-yield variant generation and unreliable variant verification. We propose SAGE (Scalable Automated Generation of Robustness BEnchmarks), a framework for scalable robustness augmentation of knowledge evaluation benchmarks using fine-tuned smaller models. SAGE consists of VariantQual, a rubric-based verifier trained on human-labeled seed data, and VariantGen, a variant generator initialized with supervised fine-tuning and further optimized with reinforcement learning using VariantQual as the reward model. Experiments on HellaSwag show that SAGE constructs a large-scale robustness-augmented benchmark with quality comparable to the human-annotated HellaSwag-Pro at substantially lower cost, while the fine-tuned models further generalize to MMLU without benchmark-specific fine-tuning.

Sarah Laouedj, Yuzhe Wang, Jesus Villalba et al.

In this study, we explored the use of spectrograms to represent handwriting signals for assessing neurodegenerative diseases, including 42 healthy controls (CTL), 35 subjects with Parkinson's Disease (PD), 21 with Alzheimer's Disease (AD), and 15 with Parkinson's Disease Mimics (PDM). We applied CNN and CNN-BLSTM models for binary classification using both multi-channel fixed-size and frame-based spectrograms. Our results showed that handwriting tasks and spectrogram channel combinations significantly impacted classification performance. The highest F1-score (89.8%) was achieved for AD vs. CTL, while PD vs. CTL reached 74.5%, and PD vs. PDM scored 77.97%. CNN consistently outperformed CNN-BLSTM. Different sliding window lengths were tested for constructing frame-based spectrograms. A 1-second window worked best for AD, longer windows improved PD classification, and window length had little effect on PD vs. PDM.

Jiapan Gu, Ziyuan Zhao, Zeng Zeng et al.

Hepatocellular carcinoma (HCC) is the most common type of primary liver cancer and the fourth most common cause of cancer-related death worldwide. Understanding the underlying gene mutations in HCC provides great prognostic value for treatment planning and targeted therapy. Radiogenomics has revealed an association between non-invasive imaging features and molecular genomics. However, imaging feature identification is laborious and error-prone. In this paper, we propose an end-to-end deep learning framework for mutation prediction in APOB, COL11A1 and ATRX genes using multiphasic CT scans. Considering intra-tumour heterogeneity (ITH) in HCC, multi-region sampling technology is implemented to generate the dataset for experiments. Experimental results demonstrate the effectiveness of the proposed model.