arXiv subjects

Wenbin Hu

Publications and source records attributed to Wenbin Hu.

At least 73 records · Page 4Linked to original sources

arXiv2023

CLDR: Contrastive Learning Drug Response Models from Natural Language Supervision

Deep learning-based drug response prediction (DRP) methods can accelerate the drug discovery process and reduce R\&D costs. Although the mainstream methods achieve high accuracy in predicting response regression values, the regression-aware representations of these methods are fragmented and fail to capture the continuity of the sample order. This phenomenon leads to models optimized to sub-optimal solution spaces, reducing generalization ability and may result in significant wasted costs in the drug discovery phase. In this paper, we propose \MN, a contrastive learning framework with natural language supervision for the DRP. The \MN~converts regression labels into text, which is merged with the captions text of the drug response as a second modality of the samples compared to the traditional modalities (graph, sequence). In each batch, two modalities of one sample are considered positive pairs and the other pairs are considered negative pairs. At the same time, in order to enhance the continuous representation capability of the numerical text, a common-sense numerical knowledge graph is introduced. We validated several hundred thousand samples from the Genomics of Drug Sensitivity in Cancer dataset, observing the average improvement of the DRP method ranges from 7.8\% to 31.4\% with the application of our framework. The experiments prove that the \MN~effectively constrains the samples to a continuous distribution in the representation space, and achieves impressive prediction performance with only a few epochs of fine-tuning after pre-training. The code is available at: \url{https://gitee.com/xiaoyibang/clipdrug.git}.

q-bio.BM↗

arXiv2023

Exploring Sparsity in Graph Transformers

Graph Transformers (GTs) have achieved impressive results on various graph-related tasks. However, the huge computational cost of GTs hinders their deployment and application, especially in resource-constrained environments. Therefore, in this paper, we explore the feasibility of sparsifying GTs, a significant yet under-explored topic. We first discuss the redundancy of GTs based on the characteristics of existing GT models, and then propose a comprehensive \textbf{G}raph \textbf{T}ransformer \textbf{SP}arsification (GTSP) framework that helps to reduce the computational complexity of GTs from four dimensions: the input graph data, attention heads, model layers, and model weights. Specifically, GTSP designs differentiable masks for each individual compressible component, enabling effective end-to-end pruning. We examine our GTSP through extensive experiments on prominent GTs, including GraphTrans, Graphormer, and GraphGPS. The experimental results substantiate that GTSP effectively cuts computational costs, accompanied by only marginal decreases in accuracy or, in some cases, even improvements. For instance, GTSP yields a reduction of 30\% in Floating Point Operations while contributing to a 1.8\% increase in Area Under the Curve accuracy on OGBG-HIV dataset. Furthermore, we provide several insights on the characteristics of attention heads and the behavior of attention mechanisms, all of which have immense potential to inspire future research endeavors in this domain.

cs.LG↗

arXiv2023

Careful Selection and Thoughtful Discarding: Graph Explicit Pooling Utilizing Discarded Nodes

Graph pooling has been increasingly recognized as crucial for Graph Neural Networks (GNNs) to facilitate hierarchical graph representation learning. Existing graph pooling methods commonly consist of two stages: selecting top-ranked nodes and discarding the remaining to construct coarsened graph representations. However, this paper highlights two key issues with these methods: 1) The process of selecting nodes to discard frequently employs additional Graph Convolutional Networks or Multilayer Perceptrons, lacking a thorough evaluation of each node's impact on the final graph representation and subsequent prediction tasks. 2) Current graph pooling methods tend to directly discard the noise segment (dropped) of the graph without accounting for the latent information contained within these elements. To address the first issue, we introduce a novel Graph Explicit Pooling (GrePool) method, which selects nodes by explicitly leveraging the relationships between the nodes and final representation vectors crucial for classification. The second issue is addressed using an extended version of GrePool (i.e., GrePool+), which applies a uniform loss on the discarded nodes. This addition is designed to augment the training process and improve classification accuracy. Furthermore, we conduct comprehensive experiments across 12 widely used datasets to validate our proposed method's effectiveness, including the Open Graph Benchmark datasets. Our experimental results uniformly demonstrate that GrePool outperforms 14 baseline methods for most datasets. Likewise, implementing GrePool+ enhances GrePool's performance without incurring additional computational costs.

cs.LG↗

arXiv2023

Zero-shot Learning of Drug Response Prediction for Preclinical Drug Screening

Conventional deep learning methods typically employ supervised learning for drug response prediction (DRP). This entails dependence on labeled response data from drugs for model training. However, practical applications in the preclinical drug screening phase demand that DRP models predict responses for novel compounds, often with unknown drug responses. This presents a challenge, rendering supervised deep learning methods unsuitable for such scenarios. In this paper, we propose a zero-shot learning solution for the DRP task in preclinical drug screening. Specifically, we propose a Multi-branch Multi-Source Domain Adaptation Test Enhancement Plug-in, called MSDA. MSDA can be seamlessly integrated with conventional DRP methods, learning invariant features from the prior response data of similar drugs to enhance real-time predictions of unlabeled compounds. We conducted experiments using the GDSCv2 and CellMiner datasets. The results demonstrate that MSDA efficiently predicts drug responses for novel compounds, leading to a general performance improvement of 5-10\% in the preclinical drug screening phase. The significance of this solution resides in its potential to accelerate the drug discovery process, improve drug candidate assessment, and facilitate the success of drug discovery.

q-bio.BM↗

arXiv2023

Large Nonreciprocity of Shear-Horizontal Surface Acoustic Waves induced by Magnetoelastic Bilayers

We report large nonreciprocity in the transmission of shear-horizontal surface acoustic waves (SAWs) on LiTaO3 substrate coated with a FeCoSiB/NiFeCu magnetoelastic bilayer. The large difference in saturation magnetization of the two layers not only brings nonreciprocal spin waves (SWs), but also ensures the phonon-magnon (SAWs-SWs) coupling at relatively low wavenumbers. It is found that the angle between the magnetization and the wavevector play important roles in determining the strength of magnetoelastic coupling and nonreciprocity, simultaneously. A large nonreciprocal transmission of SAWs about 30 dB (i.e. 60 dB/mm) is demonstrated at 2.33 GHz. In addition, the dispersion relation between coupled SH-SAWs and nonreciprocal SWs is developed, which provide a good insight into the observed phenomena. Our results offer a convenient approach to implement nonreciprocal SAW isolators or circulators.

physics.app-ph↗

arXiv2023

Attacking by Aligning: Clean-Label Backdoor Attacks on Object Detection

Deep neural networks (DNNs) have shown unprecedented success in object detection tasks. However, it was also discovered that DNNs are vulnerable to multiple kinds of attacks, including Backdoor Attacks. Through the attack, the attacker manages to embed a hidden backdoor into the DNN such that the model behaves normally on benign data samples, but makes attacker-specified judgments given the occurrence of a predefined trigger. Although numerous backdoor attacks have been experimented on image classification, backdoor attacks on object detection tasks have not been properly investigated and explored. As object detection has been adopted as an important module in multiple security-sensitive applications such as autonomous driving, backdoor attacks on object detection could pose even more severe threats. Inspired by the inherent property of deep learning-based object detectors, we propose a simple yet effective backdoor attack method against object detection without modifying the ground truth annotations, specifically focusing on the object disappearance attack and object generation attack. Extensive experiments and ablation studies prove the effectiveness of our attack on the benchmark object detection dataset MSCOCO2017, on which we achieve an attack success rate of more than 92% with a poison rate of only 5%.

cs.CV↗

arXiv2023

Graph Pooling for Graph Neural Networks: Progress, Challenges, and Opportunities

Graph neural networks have emerged as a leading architecture for many graph-level tasks, such as graph classification and graph generation. As an essential component of the architecture, graph pooling is indispensable for obtaining a holistic graph-level representation of the whole graph. Although a great variety of methods have been proposed in this promising and fast-developing research field, to the best of our knowledge, little effort has been made to systematically summarize these works. To set the stage for the development of future works, in this paper, we attempt to fill this gap by providing a broad review of recent methods for graph pooling. Specifically, 1) we first propose a taxonomy of existing graph pooling methods with a mathematical summary for each category; 2) then, we provide an overview of the libraries related to graph pooling, including the commonly used datasets, model architectures for downstream tasks, and open-source implementations; 3) next, we further outline the applications that incorporate the idea of graph pooling in a variety of domains; 4) finally, we discuss certain critical challenges facing current studies and share our insights on future potential directions for research on the improvement of graph pooling.

cs.LG↗

arXiv2023

On Exploring Node-feature and Graph-structure Diversities for Node Drop Graph Pooling

A pooling operation is essential for effective graph-level representation learning, where the node drop pooling has become one mainstream graph pooling technology. However, current node drop pooling methods usually keep the top-k nodes according to their significance scores, which ignore the graph diversity in terms of the node features and the graph structures, thus resulting in suboptimal graph-level representations. To address the aforementioned issue, we propose a novel plug-and-play score scheme and refer to it as MID, which consists of a \textbf{M}ultidimensional score space with two operations, \textit{i.e.}, fl\textbf{I}pscore and \textbf{D}ropscore. Specifically, the multidimensional score space depicts the significance of nodes through multiple criteria; the flipscore encourages the maintenance of dissimilar node features; and the dropscore forces the model to notice diverse graph structures instead of being stuck in significant local structures. To evaluate the effectiveness of our proposed MID, we perform extensive experiments by applying it to a wide variety of recent node drop pooling methods, including TopKPool, SAGPool, GSAPool, and ASAP. Specifically, the proposed MID can efficiently and consistently achieve about 2.8\% average improvements over the above four methods on seventeen real-world graph classification datasets, including four social datasets (IMDB-BINARY, IMDB-MULTI, REDDIT-BINARY, and COLLAB), and thirteen biochemical datasets (D\&D, PROTEINS, NCI1, MUTAG, PTC-MR, NCI109, ENZYMES, MUTAGENICITY, FRANKENSTEIN, HIV, BBBP, TOXCAST, and TOX21). Code is available at~\url{https://github.com/whuchuang/mid}.

cs.LG↗

arXiv2023

State of the Art and Potentialities of Graph-level Learning

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison, regression, classification, and more. Traditional approaches to learning a set of graphs heavily rely on hand-crafted features, such as substructures. But while these methods benefit from good interpretability, they often suffer from computational bottlenecks as they cannot skirt the graph isomorphism problem. Conversely, deep learning has helped graph-level learning adapt to the growing scale of graphs by extracting features automatically and encoding graphs into low-dimensional representations. As a result, these deep graph learning methods have been responsible for many successes. Yet, there is no comprehensive survey that reviews graph-level learning starting with traditional learning and moving through to the deep learning approaches. This article fills this gap and frames the representative algorithms into a systematic taxonomy covering traditional learning, graph-level deep neural networks, graph-level graph neural networks, and graph pooling. To ensure a thoroughly comprehensive survey, the evolutions, interactions, and communications between methods from four different branches of development are also examined. This is followed by a brief review of the benchmark data sets, evaluation metrics, and common downstream applications. The survey concludes with a broad overview of 12 current and future directions in this booming field.

cs.LG↗

arXiv2023

Observation of Enhanced Dynamic ΔG effect near Ferromagnetic Resonance Frequency

The field-dependence elastic modulus of magnetostrictive films, also called ΔE or ΔG effect, is crucial for ultrasensitive magnetic field sensors based on surface acoustic waves (SAWs). In spite of a lot of successful demonstrations, rare attention was paid to the frequency-dependence of ΔE or ΔG effect. In current work, shear horizontal-type SAW delay lines coated with a thin FeCoSiB layer have been studied at various frequencies upon applying magnetic fields. The change of shear modulus of FeCoSiB has been extracted by measuring the field-dependent phase shift of SAWs. It is found that the ΔG effect is significantly enhanced at high-order harmonic frequencies close to the ferromagnetic resonance frequency, increasing by ~82% compared to that at the first SAW mode (128 MHz). In addition, the smaller the effective damping factor of magnetostrictive layer, the more pronounced ΔG effect can be obtained, which is explained by our proposed dynamic magnetoelastic coupling model.

physics.app-ph↗

arXiv2023

Prompt-Learning for Cross-Lingual Relation Extraction

Relation Extraction (RE) is a crucial task in Information Extraction, which entails predicting relationships between entities within a given sentence. However, extending pre-trained RE models to other languages is challenging, particularly in real-world scenarios where Cross-Lingual Relation Extraction (XRE) is required. Despite recent advancements in Prompt-Learning, which involves transferring knowledge from Multilingual Pre-trained Language Models (PLMs) to diverse downstream tasks, there is limited research on the effective use of multilingual PLMs with prompts to improve XRE. In this paper, we present a novel XRE algorithm based on Prompt-Tuning, referred to as Prompt-XRE. To evaluate its effectiveness, we design and implement several prompt templates, including hard, soft, and hybrid prompts, and empirically test their performance on competitive multilingual PLMs, specifically mBART. Our extensive experiments, conducted on the low-resource ACE05 benchmark across multiple languages, demonstrate that our Prompt-XRE algorithm significantly outperforms both vanilla multilingual PLMs and other existing models, achieving state-of-the-art performance in XRE. To further show the generalization of our Prompt-XRE on larger data scales, we construct and release a new XRE dataset- WMT17-EnZh XRE, containing 0.9M English-Chinese pairs extracted from WMT 2017 parallel corpus. Experiments on WMT17-EnZh XRE also show the effectiveness of our Prompt-XRE against other competitive baselines. The code and newly constructed dataset are freely available at \url{https://github.com/HSU-CHIA-MING/Prompt-XRE}.

cs.CL↗

arXiv2023

Dexterous In-Hand Manipulation of Slender Cylindrical Objects through Deep Reinforcement Learning with Tactile Sensing

Continuous in-hand manipulation is an important physical interaction skill, where tactile sensing provides indispensable contact information to enable dexterous manipulation of small objects. This work proposed a framework for end-to-end policy learning with tactile feedback and sim-to-real transfer, which achieved fine in-hand manipulation that controls the pose of a thin cylindrical object, such as a long stick, to track various continuous trajectories through multiple contacts of three fingertips of a dexterous robot hand with tactile sensor arrays. We estimated the central contact position between the stick and each fingertip from the high-dimensional tactile information and showed that the learned policies achieved effective manipulation performance with the processed tactile feedback. The policies were trained with deep reinforcement learning in simulation and successfully transferred to real-world experiments, using coordinated model calibration and domain randomization. We evaluated the effectiveness of tactile information via comparative studies and validated the sim-to-real performance through real-world experiments.

cs.RO↗

arXiv2023

Giant spin-vorticity coupling excited by shear-horizontal surface acoustic waves

A non-magnetic layer can inject spin-polarized currents into an adjacent ferromagnetic layer via spin vorticity coupling (SVC), inducing spin wave resonance (SWR). In this work, we present the theoretical model of SWR generated by shear-horizontal surface acoustic wave (SH-SAW) via SVC, which contains distinct vorticities from well-studied Rayleigh SAW. Both Rayleigh- and SH-SAW delay lines have been designed and fabricated with a Ni81Fe19/Cu bilayer integrated on ST-cut quartz. Given the same wavelength, the measured power absorption of SH-SAW is four orders of magnitudes higher than that of the Rayleigh SAW. In addition, a high-order frequency dependence of the SWR is observed in the SH-SAW, indicating SVC can be strong enough to compare with magnetoelastic coupling.

physics.app-ph↗

arXiv2022

CLNode: Curriculum Learning for Node Classification

Node classification is a fundamental graph-based task that aims to predict the classes of unlabeled nodes, for which Graph Neural Networks (GNNs) are the state-of-the-art methods. Current GNNs assume that nodes in the training set contribute equally during training. However, the quality of training nodes varies greatly, and the performance of GNNs could be harmed by two types of low-quality training nodes: (1) inter-class nodes situated near class boundaries that lack the typical characteristics of their corresponding classes. Because GNNs are data-driven approaches, training on these nodes could degrade the accuracy. (2) mislabeled nodes. In real-world graphs, nodes are often mislabeled, which can significantly degrade the robustness of GNNs. To mitigate the detrimental effect of the low-quality training nodes, we present CLNode, which employs a selective training strategy to train GNN based on the quality of nodes. Specifically, we first design a multi-perspective difficulty measurer to accurately measure the quality of training nodes. Then, based on the measured qualities, we employ a training scheduler that selects appropriate training nodes to train GNN in each epoch. To evaluate the effectiveness of CLNode, we conduct extensive experiments by incorporating it in six representative backbone GNNs. Experimental results on real-world networks demonstrate that CLNode is a general framework that can be combined with various GNNs to improve their accuracy and robustness.

cs.LG↗

arXiv2022

Comprehensive Graph Gradual Pruning for Sparse Training in Graph Neural Networks

Graph Neural Networks (GNNs) tend to suffer from high computation costs due to the exponentially increasing scale of graph data and the number of model parameters, which restricts their utility in practical applications. To this end, some recent works focus on sparsifying GNNs with the lottery ticket hypothesis (LTH) to reduce inference costs while maintaining performance levels. However, the LTH-based methods suffer from two major drawbacks: 1) they require exhaustive and iterative training of dense models, resulting in an extremely large training computation cost, and 2) they only trim graph structures and model parameters but ignore the node feature dimension, where significant redundancy exists. To overcome the above limitations, we propose a comprehensive graph gradual pruning framework termed CGP. This is achieved by designing a during-training graph pruning paradigm to dynamically prune GNNs within one training process. Unlike LTH-based methods, the proposed CGP approach requires no re-training, which significantly reduces the computation costs. Furthermore, we design a co-sparsifying strategy to comprehensively trim all three core elements of GNNs: graph structures, node features, and model parameters. Meanwhile, aiming at refining the pruning operation, we introduce a regrowth process into our CGP framework, in order to re-establish the pruned but important connections. The proposed CGP is evaluated by using a node classification task across 6 GNN architectures, including shallow models (GCN and GAT), shallow-but-deep-propagation models (SGC and APPNP), and deep models (GCNII and ResGCN), on a total of 14 real-world graph datasets, including large-scale graph datasets from the challenging Open Graph Benchmark. Experiments reveal that our proposed strategy greatly improves both training and inference efficiency while matching or even exceeding the accuracy of existing methods.

cs.LG↗

arXiv2022

Self-biased SAW Magnetic Field Sensors Based on Angle Dependent Magneto-acoustic Coupling

Surface-acoustic-wave (SAW) based devices have emerged as a promising technology in magnetic field sensing by integrating a magnetostrictive layer with the giant ΔE/ΔG effect. However, almost all SAW magnetic field sensors require a bias field to obtain high sensitivity. In addition, the true nature of magneto-acoustic coupling still presents a major challenge in understanding and designing of this kind of devices. In current work, a dynamic magnetoelastic model for the ΔE/ΔG effect is established in consideration of the important role of the dipole-dipole interaction. The model is also implemented into a FEM software to calculate the resonance frequency responses of multiple fabricated sensors with different ψ angles between of the acoustic wave vector and the induced uniaxial magnetic anisotropy. The measured results are in excellent agreement with the simulated ones. A strong resonance frequency sensitivity (RFS) of 630.4 kHz/Oe was achieved at zero bias field for the device with optimized ψ angle. Furthermore, the RFS measurements along different directions verify its vector-sensing capability.

physics.app-ph↗

arXiv2022

Graph-level Neural Networks: Current Progress and Future Directions

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level learning methods used to be the mainstream. However, with the increasing scale and complexity of graphs, Graph-level Neural Networks (GLNNs, deep learning-based graph-level learning methods) have been attractive due to their superiority in modeling high-dimensional data. Thus, a survey on GLNNs is necessary. To frame this survey, we propose a systematic taxonomy covering GLNNs upon deep neural networks, graph neural networks, and graph pooling. The representative and state-of-the-art models in each category are focused on this survey. We also investigate the reproducibility, benchmarks, and new graph datasets of GLNNs. Finally, we conclude future directions to further push forward GLNNs. The repository of this survey is available at https://github.com/GeZhangMQ/Awesome-Graph-level-Neural-Networks.

cs.LG↗

arXiv2022

EPPAC: Entity Pre-typing Relation Classification with Prompt AnswerCentralizing

Relation classification (RC) aims to predict the relationship between a pair of subject and object in a given context. Recently, prompt tuning approaches have achieved high performance in RC. However, existing prompt tuning approaches have the following issues: (1) numerous categories decrease RC performance; (2) manually designed prompts require intensive labor. To address these issues, a novel paradigm, Entity Pre-typing Relation Classification with Prompt Answer Centralizing(EPPAC) is proposed in this paper. The entity pre-tying in EPPAC is presented to address the first issue using a double-level framework that pre-types entities before RC and prompt answer centralizing is proposed to address the second issue. Extensive experiments show that our proposed EPPAC outperformed state-of-the-art approaches on TACRED and TACREV by 14.4% and 11.1%, respectively. The code is provided in the Supplementary Materials.

cs.CL↗