Current model quantization methods have shown their promising capability in reducing storage space and computation complexity. However, due to the diversity of quantization forms supported by different hardware, one limitation of existing solutions is that usually require repeated optimization for different scenarios. How to construct a model with flexible quantization forms has been less studied. In this paper, we explore a one-shot network quantization regime, named Elastic Quantization Neural Networks (EQ-Net), which aims to train a robust weight-sharing quantization supernet. First of all, we propose an elastic quantization space (including elastic bit-width, granularity, and symmetry) to adapt to various mainstream quantitative forms. Secondly, we propose the Weight Distribution Regularization Loss (WDR-Loss) and Group Progressive Guidance Loss (GPG-Loss) to bridge the inconsistency of the distribution for weights and output logits in the elastic quantization space gap. Lastly, we incorporate genetic algorithms and the proposed Conditional Quantization-Aware Accuracy Predictor (CQAP) as an estimator to quickly search mixed-precision quantized neural networks in supernet. Extensive experiments demonstrate that our EQ-Net is close to or even better than its static counterparts as well as state-of-the-art robust bit-width methods. Code can be available at \href{https://github.com/xuke225/EQ-Net.git}{https://github.com/xuke225/EQ-Net}.
Domain generalization (DG) task aims to learn a robust model from source domains that could handle the out-of-distribution (OOD) issue. In order to improve the generalization ability of the model in unseen domains, increasing the diversity of training samples is an effective solution. However, existing augmentation approaches always have some limitations. On the one hand, the augmentation manner in most DG methods is not enough as the model may not see the perturbed features in approximate the worst case due to the randomness, thus the transferability in features could not be fully explored. On the other hand, the causality in discriminative features is not involved in these methods, which harms the generalization ability of model due to the spurious correlations. To address these issues, we propose a Dual-stream Feature Augmentation~(DFA) method by constructing some hard features from two perspectives. Firstly, to improve the transferability, we construct some targeted features with domain related augmentation manner. Through the guidance of uncertainty, some hard cross-domain fictitious features are generated to simulate domain shift. Secondly, to take the causality into consideration, the spurious correlated non-causal information is disentangled by an adversarial mask, then the more discriminative features can be extracted through these hard causal related information. Different from previous fixed synthesizing strategy, the two augmentations are integrated into a unified learnable feature disentangle model. Based on these hard features, contrastive learning is employed to keep the semantic consistency and improve the robustness of the model. Extensive experiments on several datasets demonstrated that our approach could achieve state-of-the-art performance for domain generalization. Our code is available at: https://github.com/alusi123/DFA.
Cognitive diagnosis plays a vital role in modern intelligent education platforms to reveal students' proficiency in knowledge concepts for subsequent adaptive tasks. However, due to the requirement of high model interpretability, existing manually designed cognitive diagnosis models hold too simple architectures to meet the demand of current intelligent education systems, where the bias of human design also limits the emergence of effective cognitive diagnosis models. In this paper, we propose to automatically design novel cognitive diagnosis models by evolutionary multi-objective neural architecture search (NAS). Specifically, we observe existing models can be represented by a general model handling three given types of inputs and thus first design an expressive search space for the NAS task in cognitive diagnosis. Then, we propose multi-objective genetic programming (MOGP) to explore the NAS task's search space by maximizing model performance and interpretability. In the MOGP design, each architecture is transformed into a tree architecture and encoded by a tree for easy optimization, and a tailored genetic operation based on four sub-genetic operations is devised to generate offspring effectively. Besides, an initialization strategy is also suggested to accelerate the convergence by evolving half of the population from existing models' variants. Experiments on two real-world datasets demonstrate that the cognitive diagnosis models searched by the proposed approach exhibit significantly better performance than existing models and also hold as good interpretability as human-designed models.
Graph-level anomaly detection has gained significant attention as it finds applications in various domains, such as cancer diagnosis and enzyme prediction. However, existing methods fail to capture the spectral properties of graph anomalies, resulting in unexplainable framework design and unsatisfying performance. In this paper, we re-investigate the spectral differences between anomalous and normal graphs. Our main observation shows a significant disparity in the accumulated spectral energy between these two classes. Moreover, we prove that the accumulated spectral energy of the graph signal can be represented by its Rayleigh Quotient, indicating that the Rayleigh Quotient is a driving factor behind the anomalous properties of graphs. Motivated by this, we propose Rayleigh Quotient Graph Neural Network (RQGNN), the first spectral GNN that explores the inherent spectral features of anomalous graphs for graph-level anomaly detection. Specifically, we introduce a novel framework with two components: the Rayleigh Quotient learning component (RQL) and Chebyshev Wavelet GNN with RQ-pooling (CWGNN-RQ). RQL explicitly captures the Rayleigh Quotient of graphs and CWGNN-RQ implicitly explores the spectral space of graphs. Extensive experiments on 10 real-world datasets show that RQGNN outperforms the best rival by 6.74% in Macro-F1 score and 1.44% in AUC, demonstrating the effectiveness of our framework. Our code is available at https://github.com/xydong127/RQGNN.
Knowledge tracing (KT) aims to trace students' knowledge states by predicting whether students answer correctly on exercises. Despite the excellent performance of existing Transformer-based KT approaches, they are criticized for the manually selected input features for fusion and the defect of single global context modelling to directly capture students' forgetting behavior in KT, when the related records are distant from the current record in terms of time. To address the issues, this paper first considers adding convolution operations to the Transformer to enhance its local context modelling ability used for students' forgetting behavior, then proposes an evolutionary neural architecture search approach to automate the input feature selection and automatically determine where to apply which operation for achieving the balancing of the local/global context modelling. In the search space, the original global path containing the attention module in Transformer is replaced with the sum of a global path and a local path that could contain different convolutions, and the selection of input features is also considered. To search the best architecture, we employ an effective evolutionary algorithm to explore the search space and also suggest a search space reduction strategy to accelerate the convergence of the algorithm. Experimental results on the two largest and most challenging education datasets demonstrate the effectiveness of the architecture found by the proposed approach.
Cognitive diagnosis is a fundamental yet critical research task in the field of intelligent education, which aims to discover the proficiency level of different students on specific knowledge concepts. Despite the effectiveness of existing efforts, previous methods always considered the mastery level on the whole students, so they still suffer from the Long Tail Effect. A large number of students who have sparse data are performed poorly in the model. To relieve the situation, we proposed a Self-supervised Cognitive Diagnosis (SCD) framework which leverages the self-supervised manner to assist the graph-based cognitive diagnosis, then the performance on those students with sparse data can be improved. Specifically, we came up with a graph confusion method that drops edges under some special rules to generate different sparse views of the graph. By maximizing the consistency of the representation on the same node under different views, the model could be more focused on long-tailed students. Additionally, we proposed an importance-based view generation rule to improve the influence of long-tailed students. Extensive experiments on real-world datasets show the effectiveness of our approach, especially on the students with sparse data.
Node Anomaly Detection (NAD) has gained significant attention in the deep learning community due to its diverse applications in real-world scenarios. Existing NAD methods primarily embed graphs within a single Euclidean space, while overlooking the potential of non-Euclidean spaces. Besides, to address the prevalent issue of limited supervision in real NAD tasks, previous methods tend to leverage synthetic data to collect auxiliary information, which is not an effective solution as shown in our experiments. To overcome these challenges, we introduce a novel SpaceGNN model designed for NAD tasks with extremely limited labels. Specifically, we provide deeper insights into a task-relevant framework by empirically analyzing the benefits of different spaces for node representations, based on which, we design a Learnable Space Projection function that effectively encodes nodes into suitable spaces. Besides, we introduce the concept of weighted homogeneity, which we empirically and theoretically validate as an effective coefficient during information propagation. This concept inspires the design of the Distance Aware Propagation module. Furthermore, we propose the Multiple Space Ensemble module, which extracts comprehensive information for NAD under conditions of extremely limited supervision. Our findings indicate that this module is more beneficial than data augmentation techniques for NAD. Extensive experiments conducted on 9 real datasets confirm the superiority of SpaceGNN, which outperforms the best rival by an average of 8.55% in AUC and 4.31% in F1 scores. Our code is available at https://github.com/xydong127/SpaceGNN.
Existing graph learning-based cognitive diagnosis (CD) methods have made relatively good results, but their student, exercise, and concept representations are learned and exchanged in an implicit unified graph, which makes the interaction-agnostic exercise and concept representations be learned poorly, failing to provide high robustness against noise in students' interactions. Besides, lower-order exercise latent representations obtained in shallow layers are not well explored when learning the student representation. To tackle the issues, this paper suggests a meta multigraph-assisted disentangled graph learning framework for CD (DisenGCD), which learns three types of representations on three disentangled graphs: student-exercise-concept interaction, exercise-concept relation, and concept dependency graphs, respectively. Specifically, the latter two graphs are first disentangled from the interaction graph. Then, the student representation is learned from the interaction graph by a devised meta multigraph learning module; multiple learnable propagation paths in this module enable current student latent representation to access lower-order exercise latent representations, which can lead to more effective nad robust student representations learned; the exercise and concept representations are learned on the relation and dependency graphs by graph attention modules. Finally, a novel diagnostic function is devised to handle three disentangled representations for prediction. Experiments show better performance and robustness of DisenGCD than state-of-the-art CD methods and demonstrate the effectiveness of the disentangled learning framework and meta multigraph module. The source code is available at \textcolor{red}{\url{https://github.com/BIMK/Intelligent-Education/tree/main/DisenGCD}}.
Evolutionary neural architecture search (ENAS) has recently received increasing attention by effectively finding high-quality neural architectures, which however consumes high computational cost by training the architecture encoded by each individual for complete epochs in individual evaluation. Numerous ENAS approaches have been developed to reduce the evaluation cost, but it is often difficult for most of these approaches to achieve high evaluation accuracy. To address this issue, in this paper we propose an accelerated ENAS via multifidelity evaluation termed MFENAS, where the individual evaluation cost is significantly reduced by training the architecture encoded by each individual for only a small number of epochs. The balance between evaluation cost and evaluation accuracy is well maintained by suggesting a multi-fidelity evaluation, which identifies the potentially good individuals that cannot survive from previous generations by integrating multiple evaluations under different numbers of training epochs. For high diversity of neural architectures, a population initialization strategy is devised to produce different neural architectures varying from ResNet-like architectures to Inception-like ones. Experimental results on CIFAR-10 show that the architecture obtained by the proposed MFENAS achieves a 2.39% test error rate at the cost of only 0.6 GPU days on one NVIDIA 2080TI GPU, demonstrating the superiority of the proposed MFENAS over state-of-the-art NAS approaches in terms of both computational cost and architecture quality. The architecture obtained by the proposed MFENAS is then transferred to CIFAR-100 and ImageNet, which also exhibits competitive performance to the architectures obtained by existing NAS approaches. The source code of the proposed MFENAS is available at https://github.com/DevilYangS/MFENAS/.
Over the last three decades, a large number of evolutionary algorithms have been developed for solving multiobjective optimization problems. However, there lacks an up-to-date and comprehensive software platform for researchers to properly benchmark existing algorithms and for practitioners to apply selected algorithms to solve their real-world problems. The demand of such a common tool becomes even more urgent, when the source code of many proposed algorithms has not been made publicly available. To address these issues, we have developed a MATLAB platform for evolutionary multi-objective optimization in this paper, called PlatEMO, which includes more than 50 multi-objective evolutionary algorithms and more than 100 multi-objective test problems, along with several widely used performance indicators. With a user-friendly graphical user interface, PlatEMO enables users to easily compare several evolutionary algorithms at one time and collect statistical results in Excel or LaTeX files. More importantly, PlatEMO is completely open source, such that users are able to develop new algorithms on the basis of it. This paper introduces the main features of PlatEMO and illustrates how to use it for performing comparative experiments, embedding new algorithms, creating new test problems, and developing performance indicators. Source code of PlatEMO is now available at: http://bimk.ahu.edu.cn/index.php?s=/Index/Software/index.html.
Cognitive diagnosis is a crucial task in computational education, aimed at evaluating students' proficiency levels across various knowledge concepts through exercises. Current models, however, primarily rely on students' answered exercises, neglecting the complex and rich information contained in un-interacted exercises. While recent research has attempted to leverage the data within un-interacted exercises linked to interacted knowledge concepts, aiming to address the long-tail issue, these studies fail to fully explore the informative, un-interacted exercises related to broader knowledge concepts. This oversight results in diminished performance when these models are applied to comprehensive datasets. In response to this gap, we present the Collaborative-aware Mixed Exercise Sampling (CMES) framework, which can effectively exploit the information present in un-interacted exercises linked to un-interacted knowledge concepts. Specifically, we introduce a novel universal sampling module where the training samples comprise not merely raw data slices, but enhanced samples generated by combining weight-enhanced attention mixture techniques. Given the necessity of real response labels in cognitive diagnosis, we also propose a ranking-based pseudo feedback module to regulate students' responses on generated exercises. The versatility of the CMES framework bolsters existing models and improves their adaptability. Finally, we demonstrate the effectiveness and interpretability of our framework through comprehensive experiments on real-world datasets.
During the past few decades, cognitive diagnostics modeling has attracted increasing attention in computational education communities, which is capable of quantifying the learning status and knowledge mastery levels of students. Indeed, the recent advances in neural networks have greatly enhanced the performance of traditional cognitive diagnosis models through learning the deep representations of students and exercises. Nevertheless, existing approaches often suffer from the issue of overconfidence in predicting students' mastery levels, which is primarily caused by the unavoidable noise and sparsity in realistic student-exercise interaction data, severely hindering the educational application of diagnostic feedback. To address this, in this paper, we propose a novel Reliable Cognitive Diagnosis(ReliCD) framework, which can quantify the confidence of the diagnosis feedback and is flexible for different cognitive diagnostic functions. Specifically, we first propose a Bayesian method to explicitly estimate the state uncertainty of different knowledge concepts for students, which enables the confidence quantification of diagnostic feedback. In particular, to account for potential differences, we suggest modeling individual prior distributions for the latent variables of different ability concepts using a pre-trained model. Additionally, we introduce a logical hypothesis for ranking confidence levels. Along this line, we design a novel calibration loss to optimize the confidence parameters by modeling the process of student performance prediction. Finally, extensive experiments on four real-world datasets clearly demonstrate the effectiveness of our ReliCD framework.
Knowledge Tracing (KT) aims to trace changes in students' knowledge states throughout their entire learning process by analyzing their historical learning data and predicting their future learning performance. Existing forgetting curve theory based knowledge tracing models only consider the general forgetting caused by time intervals, ignoring the individualization of students and the causal relationship of the forgetting process. To address these problems, we propose a Concept-driven Personalized Forgetting knowledge tracing model (CPF) which integrates hierarchical relationships between knowledge concepts and incorporates students' personalized cognitive abilities. First, we integrate the students' personalized capabilities into both the learning and forgetting processes to explicitly distinguish students' individual learning gains and forgetting rates according to their cognitive abilities. Second, we take into account the hierarchical relationships between knowledge points and design a precursor-successor knowledge concept matrix to simulate the causal relationship in the forgetting process, while also integrating the potential impact of forgetting prior knowledge points on subsequent ones. The proposed personalized forgetting mechanism can not only be applied to the learning of specifc knowledge concepts but also the life-long learning process. Extensive experimental results on three public datasets show that our CPF outperforms current forgetting curve theory based methods in predicting student performance, demonstrating CPF can better simulate changes in students' knowledge status through the personalized forgetting mechanism.
Recent advancements in protein design have leveraged diffusion models to generate structural scaffolds, followed by a process known as protein inverse folding, which involves sequence inference on these scaffolds. However, these methodologies face significant challenges when applied to hyper-variable structures such as antibody Complementarity-Determining Regions (CDRs), where sequence inference frequently results in non-functional sequences due to hallucinations. Distinguished from prevailing protein inverse folding approaches, this paper introduces Igseek, a novel structure-retrieval framework that infers CDR sequences by retrieving similar structures from a natural antibody database. Specifically, Igseek employs a simple yet effective multi-channel equivariant graph neural network to generate high-quality geometric representations of CDR backbone structures. Subsequently, it aligns sequences of structurally similar CDRs and utilizes structurally conserved sequence motifs to enhance inference accuracy. Our experiments demonstrate that Igseek not only proves to be highly efficient in structural retrieval but also outperforms state-of-the-art approaches in sequence recovery for both antibodies and T-Cell Receptors, offering a new retrieval-based perspective for therapeutic protein design.
Online intelligent education platforms have generated a vast amount of distributed student learning data. This influx of data presents opportunities for cognitive diagnosis (CD) to assess students' mastery of knowledge concepts while also raising significant data privacy and security challenges. To cope with this issue, federated learning (FL) becomes a promising solution by jointly training models across multiple local clients without sharing their original data. However, the data quality problem, caused by the ability differences and educational context differences between different groups/schools of students, further poses a challenge to the fairness of models. To address this challenge, this paper proposes a fairness-aware federated cognitive diagnosis framework (FedCD) to jointly train CD models built upon a novel parameter decoupling-based personalization strategy, preserving privacy of data and achieving precise and fair diagnosis of students on each client. As an FL paradigm, FedCD trains a local CD model for the students in each client based on its local student learning data, and each client uploads its partial model parameters to the central server for parameter aggregation according to the devised innovative personalization strategy. The main idea of this strategy is to decouple model parameters into two parts: the first is used as locally personalized parameters, containing diagnostic function-related model parameters, to diagnose each client's students fairly; the second is the globally shared parameters across clients and the server, containing exercise embedding parameters, which are updated via fairness-aware aggregation, to alleviate inter-school unfairness. Experiments on three real-world datasets demonstrate the effectiveness of the proposed FedCD framework and the personalization strategy compared to five FL approaches under three CD models.
Molecular optimization, which aims to discover improved molecules from a vast chemical search space, is a critical step in chemical development. Various artificial intelligence technologies have demonstrated high effectiveness and efficiency on molecular optimization tasks. However, few of these technologies focus on balancing property optimization with constraint satisfaction, making it difficult to obtain high-quality molecules that not only possess desirable properties but also meet various constraints. To address this issue, we propose a constrained multi-property molecular optimization framework (CMOMO), which is a flexible and efficient method to simultaneously optimize multiple molecular properties while satisfying several drug-like constraints. CMOMO improves multiple properties of molecules with constraints based on dynamic cooperative optimization, which dynamically handles the constraints across various scenarios. Besides, CMOMO evaluates multiple properties within discrete chemical spaces cooperatively with the evolution of molecules within an implicit molecular space to guide the evolutionary search. Experimental results show the superior performance of the proposed CMOMO over five state-of-the-art molecular optimization methods on two benchmark tasks of simultaneously optimizing multiple non-biological activity properties while satisfying two structural constraints. Furthermore, the practical applicability of CMOMO is verified on two practical tasks, where it identified a collection of candidate ligands of $β$2-adrenoceptor GPCR and candidate inhibitors of glycogen synthase kinase-3$β$ with high properties and under drug-like constraints.
In the realm of education, both independent learning and group learning are esteemed as the most classic paradigms. The former allows learners to self-direct their studies, while the latter is typically characterized by teacher-directed scenarios. Recent studies in the field of intelligent education have leveraged deep temporal models to trace the learning process, capturing the dynamics of students' knowledge states, and have achieved remarkable performance. However, existing approaches have primarily focused on modeling the independent learning process, with the group learning paradigm receiving less attention. Moreover, the reciprocal effect between the two learning processes, especially their combined potential to foster holistic student development, remains inadequately explored. To this end, in this paper, we propose RIGL, a unified Reciprocal model to trace knowledge states at both the individual and group levels, drawing from the Independent and Group Learning processes. Specifically, we first introduce a time frame-aware reciprocal embedding module to concurrently model both student and group response interactions across various time frames. Subsequently, we employ reciprocal enhanced learning modeling to fully exploit the comprehensive and complementary information between the two behaviors. Furthermore, we design a relation-guided temporal attentive network, comprised of dynamic graph modeling coupled with a temporal self-attention mechanism. It is used to delve into the dynamic influence of individual and group interactions throughout the learning processes. Conclusively, we introduce a bias-aware contrastive learning module to bolster the stability of the model's training. Extensive experiments on four real-world educational datasets clearly demonstrate the effectiveness of the proposed RIGL model.
Node embedding learns a low-dimensional representation for each node in the graph. Recent progress on node embedding shows that proximity matrix factorization methods gain superb performance and scale to large graphs with millions of nodes. Existing approaches first define a proximity matrix and then learn the embeddings that fit the proximity by matrix factorization. Most existing matrix factorization methods adopt the same proximity for different tasks, while it is observed that different tasks and datasets may require different proximity, limiting their representation power. Motivated by this, we propose {\em Lemane}, a framework with trainable proximity measures, which can be learned to best suit the datasets and tasks at hand automatically. Our method is end-to-end, which incorporates differentiable SVD in the pipeline so that the parameters can be trained via backpropagation. However, this learning process is still expensive on large graphs. To improve the scalability, we train proximity measures only on carefully subsampled graphs, and then apply standard proximity matrix factorization on the original graph using the learned proximity. Note that, computing the learned proximities for each pair is still expensive for large graphs, and existing techniques for computing proximities are not applicable to the learned proximities. Thus, we present generalized push techniques to make our solution scalable to large graphs with millions of nodes. Extensive experiments show that our proposed solution outperforms existing solutions on both link prediction and node classification tasks on almost all datasets.
In the past three decades, a large number of metaheuristics have been proposed and shown high performance in solving complex optimization problems. While most variation operators in existing metaheuristics are empirically designed, this paper aims to design new operators automatically, which are expected to be search space independent and thus exhibit robust performance on different problems. For this purpose, this work first investigates the influence of translation invariance, scale invariance, and rotation invariance on the search behavior and performance of some representative operators. Then, we deduce the generic form of translation, scale, and rotation invariant operators. Afterwards, a principled approach is proposed for the automated design of operators, which searches for high-performance operators based on the deduced generic form. The experimental results demonstrate that the operators generated by the proposed approach outperform state-of-the-art ones on a variety of problems with complex landscapes and up to 1000 decision variables.