Huimin Zhang

Hanxuan Cai, Huimin Zhang, Duancheng Zhao et al.

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity) properties. In this study, we advanced a novel deep learning architecture, termed FP-GNN, which combined and simultaneously learned information from molecular graphs and fingerprints. To evaluate the FP-GNN model, we conducted experiments on 13 public datasets, an unbiased LIT-PCBA dataset, and 14 phenotypic screening datasets for breast cell lines. Extensive evaluation results showed that compared to advanced deep learning and conventional machine learning algorithms, the FP-GNN algorithm achieved state-of-the-art performance on these datasets. In addition, we analyzed the influence of different molecular fingerprints, and the effects of molecular graphs and molecular fingerprints on the performance of the FP-GNN model. Analysis of the anti-noise ability and interpretation ability also indicated that FP-GNN was competitive in real-world situations.

Sijing Chen, Yuan Feng, Laipeng He et al.

With the advent of the big data and large language model era, zero-shot personalized rapid customization has emerged as a significant trend. In this report, we introduce Takin AudioLLM, a series of techniques and models, mainly including Takin TTS, Takin VC, and Takin Morphing, specifically designed for audiobook production. These models are capable of zero-shot speech production, generating high-quality speech that is nearly indistinguishable from real human speech and facilitating individuals to customize the speech content according to their own needs. Specifically, we first introduce Takin TTS, a neural codec language model that builds upon an enhanced neural speech codec and a multi-task training framework, capable of generating high-fidelity natural speech in a zero-shot way. For Takin VC, we advocate an effective content and timbre joint modeling approach to improve the speaker similarity, while advocating for a conditional flow matching based decoder to further enhance its naturalness and expressiveness. Last, we propose the Takin Morphing system with highly decoupled and advanced timbre and prosody modeling approaches, which enables individuals to customize speech production with their preferred timbre and prosody in a precise and controllable manner. Extensive experiments validate the effectiveness and robustness of our Takin AudioLLM series models. For detailed demos, please refer to https://everest-ai.github.io/takinaudiollm/.

Heyuan Li, Huimin Zhang, Yuda Qiu et al.

Conditioning is crucial for stable training of full-head 3D GANs. Without any conditioning signal, the model suffers from severe mode collapse, making it impractical to training. However, a series of previous full-head 3D GANs conventionally choose the view angle as the conditioning input, which leads to a bias in the learned 3D full-head space along the conditional view direction. This is evident in the significant differences in generation quality and diversity between the conditional view and non-conditional views of the generated 3D heads, resulting in global incoherence across different head regions. In this work, we propose to use view-invariant semantic feature as the conditioning input, thereby decoupling the generative capability of 3D heads from the viewing direction. To construct a view-invariant semantic condition for each training image, we create a novel synthesized head image dataset. We leverage FLUX.1 Kontext to extend existing high-quality frontal face datasets to a wide range of view angles. The image clip feature extracted from the frontal view is then used as a shared semantic condition across all views in the extended images, ensuring semantic alignment while eliminating directional bias. This also allows supervision from different views of the same subject to be consolidated under a shared semantic condition, which accelerates training and enhances the global coherence of the generated 3D heads. Moreover, as GANs often experience slower improvements in diversity once the generator learns a few modes that successfully fool the discriminator, our semantic conditioning encourages the generator to follow the true semantic distribution, thereby promoting continuous learning and diverse generation. Extensive experiments on full-head synthesis and single-view GAN inversion demonstrate that our method achieves significantly higher fidelity, diversity, and generalizability.

Junjia Liu, Huimin Zhang, Zhuang Fu et al.

The intelligent control of the traffic signal is critical to the optimization of transportation systems. To achieve global optimal traffic efficiency in large-scale road networks, recent works have focused on coordination among intersections, which have shown promising results. However, existing studies paid more attention to observations sharing among intersections (both explicit and implicit) and did not care about the consequences after decisions. In this paper, we design a multiagent coordination framework based on Deep Reinforcement Learning methods for traffic signal control, defined as γ-Reward that includes both original γ-Reward and γ-Attention-Reward. Specifically, we propose the Spatial Differentiation method for coordination which uses the temporal-spatial information in the replay buffer to amend the reward of each action. A concise theoretical analysis that proves the proposed model can converge to Nash equilibrium is given. By extending the idea of Markov Chain to the dimension of space-time, this truly decentralized coordination mechanism replaces the graph attention method and realizes the decoupling of the road network, which is more scalable and more in line with practice. The simulation results show that the proposed model remains a state-of-the-art performance even not use a centralized setting. Code is available in https://github.com/Skylark0924/Gamma Reward.

Shirui Wang, Zhihui Tang, Huaxia Yang et al.

Large language models (LLMs) hold promise in clinical decision support but face major challenges in safety evaluation and effectiveness validation. We developed the Clinical Safety-Effectiveness Dual-Track Benchmark (CSEDB), a multidimensional framework built on clinical expert consensus, encompassing 30 criteria covering critical areas like critical illness recognition, guideline adherence, and medication safety, with weighted consequence measures. Thirty-two specialist physicians developed and reviewed 2,069 open-ended Q&A items aligned with these criteria, spanning 26 clinical departments to simulate real-world scenarios. Benchmark testing of six LLMs revealed moderate overall performance (average total score 57.2%, safety 54.7%, effectiveness 62.3%), with a significant 13.3% performance drop in high-risk scenarios (p < 0.0001). Domain-specific medical LLMs showed consistent performance advantages over general-purpose models, with relatively higher top scores in safety (0.912) and effectiveness (0.861). The findings of this study not only provide a standardized metric for evaluating the clinical application of medical LLMs, facilitating comparative analyses, risk exposure identification, and improvement directions across different scenarios, but also hold the potential to promote safer and more effective deployment of large language models in healthcare environments.

Huimin Zhang, Yafei Wang, Junjia Liu et al.

Precise trajectory prediction of surrounding vehicles is critical for decision-making of autonomous vehicles and learning-based approaches are well recognized for the robustness. However, state-of-the-art learning-based methods ignore 1) the feasibility of the vehicle's multi-modal state information for prediction and 2) the mutual exclusive relationship between the global traffic scene receptive fields and the local position resolution when modeling vehicles' interactions, which may influence prediction accuracy. Therefore, we propose a vehicle-descriptor based LSTM model with the dilated convolutional social pooling (VD+DCS-LSTM) to cope with the above issues. First, each vehicle's multi-modal state information is employed as our model's input and a new vehicle descriptor encoded by stacked sparse auto-encoders is proposed to reflect the deep interactive relationships between various states, achieving the optimal feature extraction and effective use of multi-modal inputs. Secondly, the LSTM encoder is used to encode the historical sequences composed of the vehicle descriptor and a novel dilated convolutional social pooling is proposed to improve modeling vehicles' spatial interactions. Thirdly, the LSTM decoder is used to predict the probability distribution of future trajectories based on maneuvers. The validity of the overall model was verified over the NGSIM US-101 and I-80 datasets and our method outperforms the latest benchmark.

Zheqian Chen, Ben Gao, Huimin Zhang et al.

Community based question answering services have arisen as a popular knowledge sharing pattern for netizens. With abundant interactions among users, individuals are capable of obtaining satisfactory information. However, it is not effective for users to attain answers within minutes. Users have to check the progress over time until the satisfying answers submitted. We address this problem as a user personalized satisfaction prediction task. Existing methods usually exploit manual feature selection. It is not desirable as it requires careful design and is labor intensive. In this paper, we settle this issue by developing a new multiple instance deep learning framework. Specifically, in our settings, each question follows a weakly supervised learning multiple instance learning assumption, where its obtained answers can be regarded as instance sets and we define the question resolved with at least one satisfactory answer. We thus design an efficient framework exploiting multiple instance learning property with deep learning to model the question answer pairs. Extensive experiments on large scale datasets from Stack Exchange demonstrate the feasibility of our proposed framework in predicting askers personalized satisfaction. Our framework can be extended to numerous applications such as UI satisfaction Prediction, multi armed bandit problem, expert finding and so on.