Xinxing Yang

Xinxing Yang, Genke Yang, Jian Chu

Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models is limited by the following drawbacks. The learning of drug representation relies only on supervised data, without taking into account the information contained in the molecular graph itself. Moreover, most previous studies tended to design complicated representation learning module, while uniformity, which is used to measure representation quality, is ignored. In this study, we propose GraphCL-DTA, a graph contrastive learning with molecular semantics for drug-target binding affinity prediction. In GraphCL-DTA, we design a graph contrastive learning framework for molecular graphs to learn drug representations, so that the semantics of molecular graphs are preserved. Through this graph contrastive framework, a more essential and effective drug representation can be learned without additional supervised data. Next, we design a new loss function that can be directly used to smoothly adjust the uniformity of drug and target representations. By directly optimizing the uniformity of representations, the representation quality of drugs and targets can be improved. The effectiveness of the above innovative elements is verified on two real datasets, KIBA and Davis. The excellent performance of GraphCL-DTA on the above datasets suggests its superiority to the state-of-the-art model.

Xinxing Yang, Jiachen Li, Xiao Kang et al.

Drug combination refers to the use of two or more drugs to treat a specific disease at the same time. It is currently the mainstream way to treat complex diseases. Compared with single drugs, drug combinations have better efficacy and can better inhibit toxicity and drug resistance. The computational model based on deep learning concatenates the representation of multiple drugs and the corresponding cell line feature as input, and the output is whether the drug combination can have an inhibitory effect on the cell line. However, this strategy of concatenating multiple representations has the following defects: the alignment of drug representation and cell line representation is ignored, resulting in the synergistic relationship not being reflected positionally in the embedding space. Moreover, the alignment measurement function in deep learning cannot be suitable for drug synergy prediction tasks due to differences in input types. Therefore, in this work, we propose ALNSynergy, a graph convolutional network with multi-representation alignment for predicting drug synergy. In the ALNSynergy model, we designed a multi-representation alignment function suitable for the drug synergy prediction task so that the positional relationship between drug representations and cell line representation is reflected in the embedding space. In addition, the vector modulus of drug representations and cell line representation is considered to improve the accuracy of calculation results and accelerate model convergence. Finally, many relevant experiments were run on multiple drug synergy datasets to verify the effectiveness of the above innovative elements and the excellence of the ALNSynergy model.

Ling Team, Bin Hu, Cai Chen et al.

We present Ring-lite, a Mixture-of-Experts (MoE)-based large language model optimized via reinforcement learning (RL) to achieve efficient and robust reasoning capabilities. Built upon the publicly available Ling-lite model, a 16.8 billion parameter model with 2.75 billion activated parameters, our approach matches the performance of state-of-the-art (SOTA) small-scale reasoning models on challenging benchmarks (e.g., AIME, LiveCodeBench, GPQA-Diamond) while activating only one-third of the parameters required by comparable models. To accomplish this, we introduce a joint training pipeline integrating distillation with RL, revealing undocumented challenges in MoE RL training. First, we identify optimization instability during RL training, and we propose Constrained Contextual Computation Policy Optimization(C3PO), a novel approach that enhances training stability and improves computational throughput via algorithm-system co-design methodology. Second, we empirically demonstrate that selecting distillation checkpoints based on entropy loss for RL training, rather than validation metrics, yields superior performance-efficiency trade-offs in subsequent RL training. Finally, we develop a two-stage training paradigm to harmonize multi-domain data integration, addressing domain conflicts that arise in training with mixed dataset. We will release the model, dataset, and code.

Ling Team, Bin Han, Caizhi Tang et al.

In this technical report, we present the Ring-linear model series, specifically including Ring-mini-linear-2.0 and Ring-flash-linear-2.0. Ring-mini-linear-2.0 comprises 16B parameters and 957M activations, while Ring-flash-linear-2.0 contains 104B parameters and 6.1B activations. Both models adopt a hybrid architecture that effectively integrates linear attention and softmax attention, significantly reducing I/O and computational overhead in long-context inference scenarios. Compared to a 32 billion parameter dense model, this series reduces inference cost to 1/10, and compared to the original Ring series, the cost is also reduced by over 50%. Furthermore, through systematic exploration of the ratio between different attention mechanisms in the hybrid architecture, we have identified the currently optimal model structure. Additionally, by leveraging our self-developed high-performance FP8 operator library-linghe, overall training efficiency has been improved by 50%. Benefiting from the high alignment between the training and inference engine operators, the models can undergo long-term, stable, and highly efficient optimization during the reinforcement learning phase, consistently maintaining SOTA performance across multiple challenging complex reasoning benchmarks.

Jieyue He, Xinxing Yang, Zhuo Gong et al.

Drug repositioning is designed to discover new uses of known drugs, which is an important and efficient method of drug discovery. Researchers only use one certain type of Collaborative Filtering (CF) models for drug repositioning currently, like the neighborhood based approaches which are good at mining the local information contained in few strong drug-disease associations, or the latent factor based models which are effectively capture the global information shared by a majority of drug-disease associations. Few researchers have combined these two types of CF models to derive a hybrid model with the advantages of both of them. Besides, the cold start problem has always been a major challenge in the field of computational drug repositioning, which restricts the inference ability of relevant models. Inspired by the memory network, we propose the Hybrid Attentional Memory Network (HAMN) model, a deep architecture combines two classes of CF model in a nonlinear manner. Firstly, the memory unit and the attention mechanism are combined to generate the neighborhood contribution representation to capture the local structure of few strong drug-disease associations. Then a variant version of the autoencoder is used to extract the latent factor of drugs and diseases to capture the overall information shared by a majority of drug-disease associations. In that process, ancillary information of drugs and diseases can help to alleviate the cold start problem. Finally, in the prediction stage, the neighborhood contribution representation is combined with the drug latent factor and disease latent factor to produce the predicted value. Comprehensive experimental results on two real data sets show that our proposed HAMN model is superior to other comparison models according to the AUC, AUPR and HR indicators.

Qitao Shi, Ya-Lin Zhang, Longfei Li et al.

Machine learning techniques have been widely applied in Internet companies for various tasks, acting as an essential driving force, and feature engineering has been generally recognized as a crucial tache when constructing machine learning systems. Recently, a growing effort has been made to the development of automatic feature engineering methods, so that the substantial and tedious manual effort can be liberated. However, for industrial tasks, the efficiency and scalability of these methods are still far from satisfactory. In this paper, we proposed a staged method named SAFE (Scalable Automatic Feature Engineering), which can provide excellent efficiency and scalability, along with requisite interpretability and promising performance. Extensive experiments are conducted and the results show that the proposed method can provide prominent efficiency and competitive effectiveness when comparing with other methods. What's more, the adequate scalability of the proposed method ensures it to be deployed in large scale industrial tasks.

Cen Chen, Chen Liang, Jianbin Lin et al.

The insurance industry has been creating innovative products around the emerging online shopping activities. Such e-commerce insurance is designed to protect buyers from potential risks such as impulse purchases and counterfeits. Fraudulent claims towards online insurance typically involve multiple parties such as buyers, sellers, and express companies, and they could lead to heavy financial losses. In order to uncover the relations behind organized fraudsters and detect fraudulent claims, we developed a large-scale insurance fraud detection system, i.e., InfDetect, which provides interfaces for commonly used graphs, standard data processing procedures, and a uniform graph learning platform. InfDetect is able to process big graphs containing up to 100 millions of nodes and billions of edges. In this paper, we investigate different graphs to facilitate fraudster mining, such as a device-sharing graph, a transaction graph, a friendship graph, and a buyer-seller graph. These graphs are fed to a uniform graph learning platform containing supervised and unsupervised graph learning algorithms. Cases on widely applied e-commerce insurance are described to demonstrate the usage and capability of our system. InfDetect has successfully detected thousands of fraudulent claims and saved over tens of thousands of dollars daily.

Ziqi Liu, Chaochao Chen, Xinxing Yang et al.

We present, GEM, the first heterogeneous graph neural network approach for detecting malicious accounts at Alipay, one of the world's leading mobile cashless payment platform. Our approach, inspired from a connected subgraph approach, adaptively learns discriminative embeddings from heterogeneous account-device graphs based on two fundamental weaknesses of attackers, i.e. device aggregation and activity aggregation. For the heterogeneous graph consists of various types of nodes, we propose an attention mechanism to learn the importance of different types of nodes, while using the sum operator for modeling the aggregation patterns of nodes in each type. Experiments show that our approaches consistently perform promising results compared with competitive methods over time.

Z. Ma, L. Song, X. Feng et al.

Intracranial aneurysm (IA) is a life-threatening blood spot in human's brain if it ruptures and causes cerebral hemorrhage. It is challenging to detect whether an IA has ruptured from medical images. In this paper, we propose a novel graph based neural network named GraphNet to detect IA rupture from 3D surface data. GraphNet is based on graph convolution network (GCN) and is designed for graph-level classification and node-level segmentation. The network uses GCN blocks to extract surface local features and pools to global features. 1250 patient data including 385 ruptured and 865 unruptured IAs were collected from clinic for experiments. The performance on randomly selected 234 test patient data was reported. The experiment with the proposed GraphNet achieved accuracy of 0.82, area-under-curve (AUC) of receiver operating characteristic (ROC) curve 0.82 in the classification task, significantly outperforming the baseline approach without using graph based networks. The segmentation output of the model achieved mean graph-node-based dice coefficient (DSC) score 0.88.

Shaosheng Cao, Xinxing Yang, Cen Chen et al.

With the explosive growth of e-commerce and the booming of e-payment, detecting online transaction fraud in real time has become increasingly important to Fintech business. To tackle this problem, we introduce the TitAnt, a transaction fraud detection system deployed in Ant Financial, one of the largest Fintech companies in the world. The system is able to predict online real-time transaction fraud in mere milliseconds. We present the problem definition, feature extraction, detection methods, implementation and deployment of the system, as well as empirical effectiveness. Extensive experiments have been conducted on large real-world transaction data to show the effectiveness and the efficiency of the proposed system.