Qi Yuan

Dakuan Lu, Xiaoyu Tan, Rui Xu et al.

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

Kaihui Cheng, Ce Liu, Qingkun Su et al.

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated structure prediction, the dynamic nature of protein structures has received limited attention. This study introduces an innovative 4D diffusion model incorporating molecular dynamics (MD) simulation data to learn dynamic protein structures. Our approach is distinguished by the following components: (1) a unified diffusion model capable of generating dynamic protein structures, including both the backbone and side chains, utilizing atomic grouping and side-chain dihedral angle predictions; (2) a reference network that enhances structural consistency by integrating the latent embeddings of the initial 3D protein structures; and (3) a motion alignment module aimed at improving temporal structural coherence across multiple time steps. To our knowledge, this is the first diffusion-based model aimed at predicting protein trajectories across multiple time steps simultaneously. Validation on benchmark datasets demonstrates that our model exhibits high accuracy in predicting dynamic 3D structures of proteins containing up to 256 amino acids over 32 time steps, effectively capturing both local flexibility in stable states and significant conformational changes. URL: https://fudan-generative-vision.github.io/AlphaFolding/#/

Kunlong Chen, Weidi Xu, Xingyi Cheng et al.

Numerical reasoning over texts, such as addition, subtraction, sorting and counting, is a challenging machine reading comprehension task, since it requires both natural language understanding and arithmetic computation. To address this challenge, we propose a heterogeneous graph representation for the context of the passage and question needed for such reasoning, and design a question directed graph attention network to drive multi-step numerical reasoning over this context graph. The code link is at: https://github.com/emnlp2020qdgat/QDGAT

Xingyi Cheng, Weidi Xu, Kunlong Chen et al.

Chinese Spelling Check (CSC) is a task to detect and correct spelling errors in Chinese natural language. Existing methods have made attempts to incorporate the similarity knowledge between Chinese characters. However, they take the similarity knowledge as either an external input resource or just heuristic rules. This paper proposes to incorporate phonological and visual similarity knowledge into language models for CSC via a specialized graph convolutional network (SpellGCN). The model builds a graph over the characters, and SpellGCN is learned to map this graph into a set of inter-dependent character classifiers. These classifiers are applied to the representations extracted by another network, such as BERT, enabling the whole network to be end-to-end trainable. Experiments (The dataset and all code for this paper are available at https://github.com/ACL2020SpellGCN/SpellGCN) are conducted on three human-annotated datasets. Our method achieves superior performance against previous models by a large margin.

Zhenting Qi, Xiaoyu Tan, Shaojie Shi et al.

Instruction fine-tuning has conventionally been employed to adapt Large Language Models (LLMs) to a variety of tasks. Nonetheless, this technique often necessitates substantial computational resources, making it impractical for deployment by individuals or small-scale entities. Recently, Low-Rank Adaptation (LoRA) has become a promising alternative, offering high capabilities on par with full tuning with reduced resource overhead. However, attaining satisfactory performance through the fine-tuning of LoRA is a non-trivial challenge. In this paper, we propose PILLOW, which aims to improve LoRA's performance by a discrimination-based prompting method, leveraging LLMs' In-Context Learning ability. PILLOW incorporates a matching network that selects prompts from a user-defined prompt pool, concatenates the selected prompts with the user instruction as input, and performs inference using the LoRA-fine-tuned LLMs. Trained with Reinforcement Learning, PILLOW exhibits commensurate performance on various evaluation metrics compared with typical instruction fine-tuning methods, utilizing only consumer-grade GPU resources and exhibiting a large reduction in computational costs.

Yichi Zhang, Le Xue, Wenbo Zhang et al.

Positron Emission Tomography (PET) is a powerful molecular imaging tool that plays a crucial role in modern medical diagnostics by visualizing radio-tracer distribution to reveal physiological processes. Accurate organ segmentation from PET images is essential for comprehensive multi-systemic analysis of interactions between different organs and pathologies. Existing segmentation methods are limited by insufficient annotation data and varying levels of annotation, resulting in weak generalization ability and difficulty in clinical application. Recent developments in segmentation foundation models have shown superior versatility across diverse segmentation tasks. Despite the efforts of medical adaptations, these works primarily focus on structural medical images with detailed physiological structural information and exhibit limited generalization performance on molecular PET imaging. In this paper, we collect and construct PETS-5k, the largest PET segmentation dataset to date, comprising 5,731 three-dimensional whole-body PET images and encompassing over 1.3M 2D images. Based on the established dataset, we develop SegAnyPET, a modality-specific 3D foundation model for universal promptable segmentation from PET images. To issue the challenge of discrepant annotation quality, we adopt a cross prompting confident learning (CPCL) strategy with an uncertainty-guided self-rectification process to robustly learn segmentation from high-quality labeled data and low-quality noisy labeled data for promptable segmentation. Experimental results demonstrate that SegAnyPET can segment seen and unseen target organs using only one or a few prompt points, outperforming state-of-the-art foundation models and task-specific fully supervised models with higher accuracy and strong generalization ability for universal segmentation.

Ke Tu, Peng Cui, Daixin Wang et al.

Knowledge graph is generally incorporated into recommender systems to improve overall performance. Due to the generalization and scale of the knowledge graph, most knowledge relationships are not helpful for a target user-item prediction. To exploit the knowledge graph to capture target-specific knowledge relationships in recommender systems, we need to distill the knowledge graph to reserve the useful information and refine the knowledge to capture the users' preferences. To address the issues, we propose Knowledge-aware Conditional Attention Networks (KCAN), which is an end-to-end model to incorporate knowledge graph into a recommender system. Specifically, we use a knowledge-aware attention propagation manner to obtain the node representation first, which captures the global semantic similarity on the user-item network and the knowledge graph. Then given a target, i.e., a user-item pair, we automatically distill the knowledge graph into the target-specific subgraph based on the knowledge-aware attention. Afterward, by applying a conditional attention aggregation on the subgraph, we refine the knowledge graph to obtain target-specific node representations. Therefore, we can gain both representability and personalization to achieve overall performance. Experimental results on real-world datasets demonstrate the effectiveness of our framework over the state-of-the-art algorithms.

Hui Li, Xing Fu, Ruofan Wu et al.

Deep learning provides a promising way to extract effective representations from raw data in an end-to-end fashion and has proven its effectiveness in various domains such as computer vision, natural language processing, etc. However, in domains such as content/product recommendation and risk management, where sequence of event data is the most used raw data form and experts derived features are more commonly used, deep learning models struggle to dominate the game. In this paper, we propose a symbolic testing framework that helps to answer the question of what kinds of expert-derived features could be learned by a neural network. Inspired by this testing framework, we introduce an efficient architecture named SHORING, which contains two components: \textit{event network} and \textit{sequence network}. The \textit{event} network learns arbitrarily yet efficiently high-order \textit{event-level} embeddings via a provable reparameterization trick, the \textit{sequence} network aggregates from sequence of \textit{event-level} embeddings. We argue that SHORING is capable of learning certain standard symbolic expressions which the standard multi-head self-attention network fails to learn, and conduct comprehensive experiments and ablation studies on four synthetic datasets and three real-world datasets. The results show that SHORING empirically outperforms the state-of-the-art methods.

Ziqi Liu, Zhengwei Wu, Zhiqiang Zhang et al.

Several sampling algorithms with variance reduction have been proposed for accelerating the training of Graph Convolution Networks (GCNs). However, due to the intractable computation of optimal sampling distribution, these sampling algorithms are suboptimal for GCNs and are not applicable to more general graph neural networks (GNNs) where the message aggregator contains learned weights rather than fixed weights, such as Graph Attention Networks (GAT). The fundamental reason is that the embeddings of the neighbors or learned weights involved in the optimal sampling distribution are changing during the training and not known a priori, but only partially observed when sampled, thus making the derivation of an optimal variance reduced samplers non-trivial. In this paper, we formulate the optimization of the sampling variance as an adversary bandit problem, where the rewards are related to the node embeddings and learned weights, and can vary constantly. Thus a good sampler needs to acquire variance information about more neighbors (exploration) while at the same time optimizing the immediate sampling variance (exploit). We theoretically show that our algorithm asymptotically approaches the optimal variance within a factor of 3. We show the efficiency and effectiveness of our approach on multiple datasets.

Shijun Wang, Baocheng Zhu, Chen Li et al.

In this paper, We propose a general Riemannian proximal optimization algorithm with guaranteed convergence to solve Markov decision process (MDP) problems. To model policy functions in MDP, we employ Gaussian mixture model (GMM) and formulate it as a nonconvex optimization problem in the Riemannian space of positive semidefinite matrices. For two given policy functions, we also provide its lower bound on policy improvement by using bounds derived from the Wasserstein distance of GMMs. Preliminary experiments show the efficacy of our proposed Riemannian proximal policy optimization algorithm.

Shijun Wang, Baocheng Zhu, Lintao Ma et al.

In this paper, we consider optimizing a smooth, convex, lower semicontinuous function in Riemannian space with constraints. To solve the problem, we first convert it to a dual problem and then propose a general primal-dual algorithm to optimize the primal and dual variables iteratively. In each optimization iteration, we employ a proximal operator to search optimal solution in the primal space. We prove convergence of the proposed algorithm and show its non-asymptotic convergence rate. By utilizing the proposed primal-dual optimization technique, we propose a novel metric learning algorithm which learns an optimal feature transformation matrix in the Riemannian space of positive definite matrices. Preliminary experimental results on an optimal fund selection problem in fund of funds (FOF) management for quantitative investment showed its efficacy.

Zhigang Dai, Jinhua Fu, Qile Zhu et al.

Dialogue act recognition is a fundamental task for an intelligent dialogue system. Previous work models the whole dialog to predict dialog acts, which may bring the noise from unrelated sentences. In this work, we design a hierarchical model based on self-attention to capture intra-sentence and inter-sentence information. We revise the attention distribution to focus on the local and contextual semantic information by incorporating the relative position information between utterances. Based on the found that the length of dialog affects the performance, we introduce a new dialog segmentation mechanism to analyze the effect of dialog length and context padding length under online and offline settings. The experiment shows that our method achieves promising performance on two datasets: Switchboard Dialogue Act and DailyDialog with the accuracy of 80.34\% and 85.81\% respectively. Visualization of the attention weights shows that our method can learn the context dependency between utterances explicitly.

Chaochao Chen, Jun Zhou, Bingzhe Wu et al.

Point-of-Interest (POI) recommendation has been extensively studied and successfully applied in industry recently. However, most existing approaches build centralized models on the basis of collecting users' data. Both private data and models are held by the recommender, which causes serious privacy concerns. In this paper, we propose a novel Privacy preserving POI Recommendation (PriRec) framework. First, to protect data privacy, users' private data (features and actions) are kept on their own side, e.g., Cellphone or Pad. Meanwhile, the public data need to be accessed by all the users are kept by the recommender to reduce the storage costs of users' devices. Those public data include: (1) static data only related to the status of POI, such as POI categories, and (2) dynamic data depend on user-POI actions such as visited counts. The dynamic data could be sensitive, and we develop local differential privacy techniques to release such data to public with privacy guarantees. Second, PriRec follows the representations of Factorization Machine (FM) that consists of linear model and the feature interaction model. To protect the model privacy, the linear models are saved on users' side, and we propose a secure decentralized gradient descent protocol for users to learn it collaboratively. The feature interaction model is kept by the recommender since there is no privacy risk, and we adopt secure aggregation strategy in federated learning paradigm to learn it. To this end, PriRec keeps users' private raw data and models in users' own hands, and protects user privacy to a large extent. We apply PriRec in real-world datasets, and comprehensive experiments demonstrate that, compared with FM, PriRec achieves comparable or even better recommendation accuracy.

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, Dong Wang, Qianyu Yu et al.

Mobile payment such as Alipay has been widely used in our daily lives. To further promote the mobile payment activities, it is important to run marketing campaigns under a limited budget by providing incentives such as coupons, commissions to merchants. As a result, incentive optimization is the key to maximizing the commercial objective of the marketing campaign. With the analyses of online experiments, we found that the transaction network can subtly describe the similarity of merchants' responses to different incentives, which is of great use in the incentive optimization problem. In this paper, we present a graph representation learning method atop of transaction networks for merchant incentive optimization in mobile payment marketing. With limited samples collected from online experiments, our end-to-end method first learns merchant representations based on an attributed transaction networks, then effectively models the correlations between the commercial objectives each merchant may achieve and the incentives under varying treatments. Thus we are able to model the sensitivity to incentive for each merchant, and spend the most budgets on those merchants that show strong sensitivities in the marketing campaign. Extensive offline and online experimental results at Alipay demonstrate the effectiveness of our proposed approach.

Chen Liang, Ziqi Liu, Bin Liu et al.

Fraudulent claim detection is one of the greatest challenges the insurance industry faces. Alibaba's return-freight insurance, providing return-shipping postage compensations over product return on the e-commerce platform, receives thousands of potentially fraudulent claims every day. Such deliberate abuse of the insurance policy could lead to heavy financial losses. In order to detect and prevent fraudulent insurance claims, we developed a novel data-driven procedure to identify groups of organized fraudsters, one of the major contributions to financial losses, by learning network information. In this paper, we introduce a device-sharing network among claimants, followed by developing an automated solution for fraud detection based on graph learning algorithms, to separate fraudsters from regular customers and uncover groups of organized fraudsters. This solution applied at Alibaba achieves more than 80% precision while covering 44% more suspicious accounts compared with a previously deployed rule-based classifier after human expert investigations. Our approach can easily and effectively generalizes to other types of insurance.

Chaochao Chen, Ziqi Liu, Jun Zhou et al.

Time-series forecasting is an important task in both academic and industry, which can be applied to solve many real forecasting problems like stock, water-supply, and sales predictions. In this paper, we study the case of retailers' sales forecasting on Tmall|the world's leading online B2C platform. By analyzing the data, we have two main observations, i.e., sales seasonality after we group different groups of retails and a Tweedie distribution after we transform the sales (target to forecast). Based on our observations, we design two mechanisms for sales forecasting, i.e., seasonality extraction and distribution transformation. First, we adopt Fourier decomposition to automatically extract the seasonalities for different categories of retailers, which can further be used as additional features for any established regression algorithms. Second, we propose to optimize the Tweedie loss of sales after logarithmic transformations. We apply these two mechanisms to classic regression models, i.e., neural network and Gradient Boosting Decision Tree, and the experimental results on Tmall dataset show that both mechanisms can significantly improve the forecasting results.

Yuyu Zhang, Xinshi Chen, Yuan Yang et al.

Markov Logic Networks (MLNs), which elegantly combine logic rules and probabilistic graphical models, can be used to address many knowledge graph problems. However, inference in MLN is computationally intensive, making the industrial-scale application of MLN very difficult. In recent years, graph neural networks (GNNs) have emerged as efficient and effective tools for large-scale graph problems. Nevertheless, GNNs do not explicitly incorporate prior logic rules into the models, and may require many labeled examples for a target task. In this paper, we explore the combination of MLNs and GNNs, and use graph neural networks for variational inference in MLN. We propose a GNN variant, named ExpressGNN, which strikes a nice balance between the representation power and the simplicity of the model. Our extensive experiments on several benchmark datasets demonstrate that ExpressGNN leads to effective and efficient probabilistic logic reasoning.

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.

Yuyu Zhang, Xinshi Chen, Yuan Yang et al.

Effectively combining logic reasoning and probabilistic inference has been a long-standing goal of machine learning: the former has the ability to generalize with small training data, while the latter provides a principled framework for dealing with noisy data. However, existing methods for combining the best of both worlds are typically computationally intensive. In this paper, we focus on Markov Logic Networks and explore the use of graph neural networks (GNNs) for representing probabilistic logic inference. It is revealed from our analysis that the representation power of GNN alone is not enough for such a task. We instead propose a more expressive variant, called ExpressGNN, which can perform effective probabilistic logic inference while being able to scale to a large number of entities. We demonstrate by several benchmark datasets that ExpressGNN has the potential to advance probabilistic logic reasoning to the next stage.

Chao Qu, Shie Mannor, Huan Xu et al.

We consider the networked multi-agent reinforcement learning (MARL) problem in a fully decentralized setting, where agents learn to coordinate to achieve the joint success. This problem is widely encountered in many areas including traffic control, distributed control, and smart grids. We assume that the reward function for each agent can be different and observed only locally by the agent itself. Furthermore, each agent is located at a node of a communication network and can exchanges information only with its neighbors. Using softmax temporal consistency and a decentralized optimization method, we obtain a principled and data-efficient iterative algorithm. In the first step of each iteration, an agent computes its local policy and value gradients and then updates only policy parameters. In the second step, the agent propagates to its neighbors the messages based on its value function and then updates its own value function. Hence we name the algorithm value propagation. We prove a non-asymptotic convergence rate 1/T with the nonlinear function approximation. To the best of our knowledge, it is the first MARL algorithm with convergence guarantee in the control, off-policy and non-linear function approximation setting. We empirically demonstrate the effectiveness of our approach in experiments.

Xinshi Chen, Shuang Li, Hui Li et al.

There are great interests as well as many challenges in applying reinforcement learning (RL) to recommendation systems. In this setting, an online user is the environment; neither the reward function nor the environment dynamics are clearly defined, making the application of RL challenging. In this paper, we propose a novel model-based reinforcement learning framework for recommendation systems, where we develop a generative adversarial network to imitate user behavior dynamics and learn her reward function. Using this user model as the simulation environment, we develop a novel Cascading DQN algorithm to obtain a combinatorial recommendation policy which can handle a large number of candidate items efficiently. In our experiments with real data, we show this generative adversarial user model can better explain user behavior than alternatives, and the RL policy based on this model can lead to a better long-term reward for the user and higher click rate for the system.

Hui Li, Kailiang Hu, Zhibang Ge et al.

Counterfactual Regret Minimization (CRF) is a fundamental and effective technique for solving Imperfect Information Games (IIG). However, the original CRF algorithm only works for discrete state and action spaces, and the resulting strategy is maintained as a tabular representation. Such tabular representation limits the method from being directly applied to large games and continuing to improve from a poor strategy profile. In this paper, we propose a double neural representation for the imperfect information games, where one neural network represents the cumulative regret, and the other represents the average strategy. Furthermore, we adopt the counterfactual regret minimization algorithm to optimize this double neural representation. To make neural learning efficient, we also developed several novel techniques including a robust sampling method, mini-batch Monte Carlo Counterfactual Regret Minimization (MCCFR) and Monte Carlo Counterfactual Regret Minimization Plus (MCCFR+) which may be of independent interests. Experimentally, we demonstrate that the proposed double neural algorithm converges significantly better than the reinforcement learning counterpart.

Chenchen Li, Xiang Yan, Xiaotie Deng et al.

Uplift modeling aims to directly model the incremental impact of a treatment on an individual response. In this work, we address the problem from a new angle and reformulate it as a Markov Decision Process (MDP). We conducted extensive experiments on both a synthetic dataset and real-world scenarios, and showed that our method can achieve significant improvement over previous methods.

Ziqi Liu, Chaochao Chen, Longfei Li et al.

We present, GeniePath, a scalable approach for learning adaptive receptive fields of neural networks defined on permutation invariant graph data. In GeniePath, we propose an adaptive path layer consists of two complementary functions designed for breadth and depth exploration respectively, where the former learns the importance of different sized neighborhoods, while the latter extracts and filters signals aggregated from neighbors of different hops away. Our method works in both transductive and inductive settings, and extensive experiments compared with competitive methods show that our approaches yield state-of-the-art results on large graphs.

Shandian Zhe, Zenglin Xu, Yuan Qi

Given genetic variations and various phenotypical traits, such as Magnetic Resonance Imaging (MRI) features, we consider two important and related tasks in biomedical research: i)to select genetic and phenotypical markers for disease diagnosis and ii) to identify associations between genetic and phenotypical data. These two tasks are tightly coupled because underlying associations between genetic variations and phenotypical features contain the biological basis for a disease. While a variety of sparse models have been applied for disease diagnosis and canonical correlation analysis and its extensions have bee widely used in association studies (e.g., eQTL analysis), these two tasks have been treated separately. To unify these two tasks, we present a new sparse Bayesian approach for joint association study and disease diagnosis. In this approach, common latent features are extracted from different data sources based on sparse projection matrices and used to predict multiple disease severity levels based on Gaussian process ordinal regression; in return, the disease status is used to guide the discovery of relationships between the data sources. The sparse projection matrices not only reveal interactions between data sources but also select groups of biomarkers related to the disease. To learn the model from data, we develop an efficient variational expectation maximization algorithm. Simulation results demonstrate that our approach achieves higher accuracy in both predicting ordinal labels and discovering associations between data sources than alternative methods. We apply our approach to an imaging genetics dataset for the study of Alzheimer's Disease (AD). Our method identifies biologically meaningful relationships between genetic variations, MRI features, and AD status, and achieves significantly higher accuracy for predicting ordinal AD stages than the competing methods.