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Yiqing Zhang, Xiaozhong Liu 0001, Fabricio Murai

Many existing models for clinical trial outcome prediction are optimized using task-specific loss functions on trial phase-specific data. While this scheme may boost prediction for common diseases and drugs, it can hinder the learning of generalizable representations, leading to more false positives/negatives. To address this limitation, we introduce CLaDMoP, a new pre-training approach for clinical trial outcome prediction, alongside the Successful Clinical Trials dataset (SCT), specifically designed for this task. CLaDMoP leverages a Large Language Model-to encode trials' eligibility criteria-linked to a lightweight Drug-Molecule branch through a novel multi-level fusion technique. To efficiently fuse long embeddings across levels, we incorporate a grouping block, drastically reducing computational overhead. CLaDMoP avoids reliance on task-specific objectives by pre-training on a ''pair matching'' proxy task. Compared to established zero-shot and few-shot baselines, our method significantly improves both PR-AUC and ROC-AUC, especially for phase I and phase II trials. We further evaluate and perform ablation on CLaDMoP after Parameter-Efficient Fine-Tuning, comparing it to state-of-the-art supervised baselines, including MEXA-CTP, on the Trial Outcome Prediction (TOP) benchmark. CLaDMoP achieves up to 10.5% improvement in PR-AUC and 3.6% in ROC-AUC, while attaining comparable F1 score to MEXA-CTP, highlighting its potential for clinical trial outcome prediction. Code and SCT dataset can be downloaded from https://github.com/murai-lab/CLaDMoP.

Yan Zhang 0111, Xiaoye Miao, Bin Li, Yangyang Wu, Yongheng Shang

Federated data selection strategically chooses a group of high-quality samples to train a global model, and it is promising to optimize the convergence and resource overhead of federated learning (FL). However, existing studies either fail to account for the dynamic importance of training samples or rely on external unbiased validation datasets. These shortcomings can compromise FL model performance, potentially complicating their application in real-world scenarios. In this paper, we propose a novel proxy-validated importance-aware federated sample selection framework, termed FedSelect. It employs a novel meta learning approach with a proxy validation dataset to select the most positively important clients and their most important samples, thereby accelerating the training process and optimizing FL model performance. To eliminate the dependency on external unbiased data, we present a momentum-based meta-margin function to discover influential samples as the proxy validation dataset, providing an adaptive reward for sample selection. Furthermore, we also develop an online meta model update strategy to guarantee the efficiency of FedSelect. Comprehensive experiments on four benchmark datasets demonstrate that FedSelect is superior in both effectiveness and efficiency, while maintaining strong scalability across diverse scenarios. The source code can be accessed at: https://github.com/nameyzhang/FedSelect.

Sixiao Zhang, Cheng Long 0001, Wei Yuan 0003, Hongxu Chen 0002, Hongzhi Yin

In the era of large foundation models, data has become a crucial component in building high-performance AI systems. As the demand for high-quality and large-scale data continues to rise, data copyright protection is attracting increasing attention. In this work, we explore the problem of data watermarking for sequential recommender systems, where a watermark is embedded into the target dataset and can be detected in models trained on that dataset. We focus on two settings: dataset watermarking, which protects the ownership of the entire dataset, and user watermarking, which safeguards the data of individual users. We present a method named Dataset Watermarking for Recommender Systems (DWRS) to address them. We define the watermark as a sequence of consecutive items inserted into normal users' interaction sequences. We define a Receptive Field (RF) to guide the inserting process to facilitate the memorization of the watermark. Extensive experiments on five representative sequential recommendation models and three benchmark datasets demonstrate the effectiveness of DWRS in protecting data copyright while preserving model utility.

Jingyun Zhang, Hao Peng 0001, Li Sun 0008, Guanlin Wu, Chunyang Liu, Zhengtao Yu 0001

Research on Graph Structure Learning (GSL) provides key insights for graph-based clustering, yet current methods like Graph Neural Networks (GNNs), Graph Attention Networks (GATs), and contrastive learning often rely heavily on the original graph structure. Their performance deteriorates when the original graph's adjacency matrix is too sparse or contains noisy edges unrelated to clustering. Moreover, these methods depend on learning node embeddings and using traditional techniques like k-means to form clusters, which may not fully capture the underlying graph structure between nodes. To address these limitations, this paper introduces DeSE, a novel unsupervised graph clustering framework incorporating Deep Structural Entropy. It enhances the original graph with quantified structural information and deep neural networks to form clusters. Specifically, we first propose a method for calculating structural entropy with soft assignment, which quantifies structure in a differentiable form. Next, we design a Structural Learning layer (SLL) to generate an attributed graph from the original feature data, serving as a target to enhance and optimize the original structural graph, thereby mitigating the issue of sparse connections between graph nodes. Finally, our clustering assignment method (ASS), based on GNNs, learns node embeddings and a soft assignment matrix to cluster on the enhanced graph. The ASS layer can be stacked to meet downstream task requirements, minimizing structural entropy for stable clustering and maximizing node consistency with edge-based cross-entropy loss. Extensive comparative experiments are conducted on four benchmark datasets against eight representative unsupervised graph clustering baselines, demonstrating the superiority of the DeSE in both effectiveness and interpretability.

Jiasheng Zhang, Ali Maatouk, Jialin Chen, Ngoc Bui, Qianqian Xie, Leandros Tassiulas, Hua Xu 0001, Jie Shao 0001, Rex Ying

With the advent of large language models (LLMs), managing scientific literature via LLMs has become a promising direction of research. However, existing approaches often overlook the rich structural and semantic relevance among scientific literature, limiting their ability to discern the relationships between pieces of scientific knowledge, and suffer from various types of hallucinations. These methods also focus narrowly on individual downstream tasks, limiting their applicability across use cases. We propose LitFM, the first literature foundation model designed for a wide variety of practical downstream tasks on domain-specific literature, with a focus on citation information. At its core, LitFM contains a novel graph retriever that can provide accurate and diverse recommendations for LLM to integrate graph structure information and relevant literature. LitFM also leverages a knowledge-infused LLM, fine-tuned through a well-developed instruction paradigm. It enables LitFM to extract domain-specific knowledge from literature and reason relationships among them. By integrating citation graphs during both training and inference, LitFM can generalize to unseen papers and accurately assess their relevance within existing literature. Additionally, we introduce new large-scale literature citation benchmark datasets on three academic fields, featuring sentence-level citation information and local context. Extensive experiments validate the superiority of LitFM, achieving 28.1% improvement on retrieval task in precision, and an average improvement of 7.52% over state-of-the-art across six downstream literature-related tasks.

Liqin Ye, Agam Shah, Chao Zhang 0014, Sudheer Chava

The traditional process of creating labeled datasets is labor-intensive and expensive. Recent breakthroughs in open-source large language models (LLMs) have opened up a new avenue in generating labeled datasets automatically for various natural language processing (NLP) tasks, providing an alternative to such an expensive annotation process. However, the reliability of such auto-generated labels remains a significant concern due to inherent inaccuracies. When learning from noisy labels, the model's generalization is likely to be harmed as it is prone to overfit to those label noises. While previous studies in learning from noisy labels mainly focus on synthetic noise and real-world noise, LLM-generated label noise receives less attention. In this paper, we propose SiDyP: Simplex Label Diffusion with Dynamic Prior to calibrate the classifier's prediction, thus enhancing its robustness towards LLM-generated noisy labels. SiDyP retrieves potential true label candidates by neighborhood label distribution in text embedding space and iteratively refines noisy candidates using a simplex diffusion model. Our framework can increase the performance of the BERT classifier fine-tuned on both zero-shot and few-shot LLM-generated noisy label datasets by an average of 7.21% and 7.30% respectively. We demonstrate the effectiveness of SiDyP by conducting extensive benchmarking for different LLMs over a variety of NLP tasks. Our code is available on GitHub: https://github.com/gtfintechlab/SiDyP

Ming Yang 0043, Yuzheng Cai, Weiguo Zheng

Approximate nearest neighbor search (ANNS) is widely used to retrieve similar vectors from high-dimensional data. However, many real-world applications require additional interval filtering based on numerical constraints, such as stock price ranges. In this paper, we introduce interval-filtering ANNS (IF-ANNS), a novel yet general retrieval task where both base and query vectors are associated with numerical intervals. The goal is to retrieve nearest neighbors whose intervals are fully contained within the query interval. To efficiently address this problem, we propose Hierarchical Interval Partitioning Navigating Graph (Hi-PNG), a framework that hierarchically partitions the interval space to efficiently locate the search space, eliminating unnecessary computations and achieving significant speedups. We provide a theoretical analysis of the search space, demonstrating the superiority of our approach. Extensive experiments on eight datasets, including commonly used benchmarks and real-world stock price data, show that Hi-PNG outperforms four state-of-the-art graph-based ANNS baselines, achieving up to 15× acceleration while maintaining high precision. These results highlight Hi-PNG's effectiveness in solving the IF-ANNS problem. All codes and data generation are available at https://github.com/PUITAR/Hi-PNG.git.

Kaixin Xu, Yangyang Wu, Shijun Wu, Xiaoye Miao, Guoqing Chao, Mengying Zhu, Meng Xi 0002, Xinkui Zhao

Incomplete multi-view partial multi-label classification (IMvPMLC), which tackles the combined challenges of incompleteness in both multi-view and multi-label problems, has drawn considerable attention. Existing IMvPMLC methods have made progress but still face several challenges: (i) They mainly focus on the consistency of representations across multiple views but overlook the relationships among instances, leading to suboptimal representations. (ii) They primarily utilize only the available labels for supervised learning, ignoring the missing label distribution and limiting their ability to capture label correlations. In this paper, we propose a novel model named Dual Structure-guided Contrastive Network (DSCN) for IMvPMLC. Specifically, we introduce a similarity-guided instance-level contrastive learning mechanism to achieve multi-view consistent and discriminative representations across instances by leveraging instance structures, while a multi-view attention-based fusion strategy dynamically facilitates the fusion of multi-view representations to derive a robust consensus representation. Then, we design a multi-view shared classifier integrated with a correlation-guided label-level contrastive learning mechanism to enhance predictions by leveraging complementary information across multiple views and capturing label structures, effectively exploiting missing label distribution. Extensive experiments on five benchmark datasets demonstrate that, DSCN yields a more than 13% accuracy, compared with the state-of-the-art approaches. The code and datasets are available at https://anonymous.4open.science/r/DSCN-D471.

Amy Xin, Jinxin Liu 0002, Zijun Yao 0002, Zhicheng Lee, Shulin Cao, Lei Hou 0001, Juanzi Li

Despite the outstanding capabilities of large language models (LLMs), knowledge-intensive reasoning still remains a challenging task due to LLMs' limitations in compositional reasoning and the hallucination problem. A prevalent solution is to employ chain-of-thought (CoT) with retrieval-augmented generation (RAG), which first formulates a reasoning plan by decomposing complex questions into simpler sub-questions, and then applies iterative RAG at each sub-question. However, prior works exhibit two crucial problems: inadequate reasoning planning and poor incorporation of heterogeneous knowledge. In this paper, we introduce AtomR, a framework for LLMs to conduct accurate heterogeneous knowledge reasoning at the atomic level. Inspired by how knowledge graph query languages model compositional reasoning through combining predefined operations, we propose three atomic knowledge operators, a unified set of operators for LLMs to retrieve and manipulate knowledge from heterogeneous sources. First, in the reasoning planning stage, AtomR decomposes a complex question into a reasoning tree where each leaf node corresponds to an atomic knowledge operator, achieving question decomposition that is highly fine-grained and orthogonal. Subsequently, in the reasoning execution stage, AtomR executes each atomic knowledge operator, which flexibly selects, retrieves, and operates atomic level knowledge from heterogeneous sources. We also introduce BlendQA, a challenging benchmark specially tailored for heterogeneous knowledge reasoning. Experiments on three single-source and two multi-source datasets show that AtomR outperforms state-of-the-art baselines by a large margin, with absolute F1 score improvements of 9.4% on 2WikiMultihop and 9.5% on BlendQA. We release our code and data https://github.com/THU-KEG/AtomR.git.

Zengyi Wo, Minglai Shao 0001, Shiyu Zhang 0001, Ruijie Wang 0004

This paper presents the Local Homophily Graph Neural Network (LH-GNN), a novel framework for Graph Anomaly Detection (GAD). Anomalous activities in graphs often exhibit a complex interplay of homophily and heterophily, with our analysis revealing that anomalous nodes typically display a higher degree of heterophily compared to normal nodes. Existing GNN-based methods start to incorporate heterophily modeling but fail to address two critical challenges: (1) the efficiency challenge, as traditional spectral decomposition based methods are computationally expensive, and (2) the local homophily estimation challenge, where prior knowledge of node-wise homophily ratios is often unavailable. To address these challenges, LH-GNN introduces a lightweight polynomial graph filter that dynamically adjusts to node-specific homophily ratios, enabling efficient representation learning for both normal and anomalous nodes through adaptable heterophilic and homophilic bases. This design achieves linear time complexity, significantly improving computational efficiency. Additionally, we propose an iterative prototype learning strategy to estimate local homophily values without requiring additional labels. This strategy leverages class prototypes and uncertainty measures to assign reliable pseudo-labels, effectively capturing node-wise homophily. Together, these innovations enable LH-GNN to overcome the limitations of existing methods. Extensive experiments on four benchmark datasets demonstrate that LH-GNN outperforms state-of-the-art methods in both effectiveness and efficiency, achieving 4.4% improvements in detection accuracy and 11× computational speedup.

Zixuan Weng, Jindong Han, Wenzhao Jiang, Hao Liu 0026

In recent years, advancements in deep learning have spurred the development of numerous models for Long-term Time Series Forecasting (LTSF). However, most existing approaches struggle to fully capture the complex and structured dependencies inherent in time series data. In this work, we identify and formally define three critical dependencies that are fundamental to forecasting accuracy: order dependency and semantic dependency along the temporal dimension, as well as cross-variate dependency across the feature dimension. These dependencies are often treated in isolation, and improper handling can introduce noise and degrade forecasting performance. To bridge this gap, we investigate the potential of State Space Models (SSMs) for LTSF and emphasize their inherent advantages in capturing these essential dependencies. Additionally, we empirically observe that excessive nonlinearity in conventional SSMs introduce redundancy when applied to semantically sparse time series data. Motivated by this insight, we propose SDE (Simplified and Disentangled Dependency Encoding), a novel framework designed to enhance the capability of SSMs for LTSF. Specifically, we first eliminate unnecessary nonlinearities in vanilla SSMs, thereby improving the suitability for time series forecasting. Building on this foundation, we introduce a disentangled encoding strategy, which empowers SSMs to efficiently model cross-variate dependencies while mitigating interference between the temporal and feature dimensions. Furthermore, we provide rigorous theoretical justifications to substantiate our design choices. Extensive experiments on nine real-world benchmark datasets demonstrate that SDE-enhanced SSMs consistently outperform state-of-the-art time series forecasting models. Our code is available at https://github.com/YukinoAsuna/SAMBA.

Dongsheng Wang, Yuxi Huang 0005, Shen Gao, Yifan Wang 0023, Chengrui Huang 0001, Shuo Shang

Point-of-interest (POI) recommendation systems aim to predict the next destinations of user based on their preferences and historical check-ins. Existing generative POI recommendation methods usually employ random numeric IDs for POIs, limiting the ability to model semantic relationships between similar locations. In this paper, we propose Generative Next POI Recommendation with Semantic ID (GNPR-SID), an LLM-based POI recommendation model with a novel semantic POI ID (SID) representation method that enhances the semantic understanding of POI modeling. There are two key components in our GNPR-SID: (1) a Semantic ID Construction module that generates semantically rich POI IDs based on semantic and collaborative features, and (2) a Generative POI Recommendation module that fine-tunes LLMs to predict the next POI using these semantic IDs. By incorporating user interaction patterns and POI semantic features into the semantic ID generation, our method improves the recommendation accuracy and generalization of the model. To construct semantically related SIDs, we propose a POI quantization method based on residual quantized variational autoencoder, which maps POIs into a discrete semantic space. We also propose a diversity loss to ensure that SIDs are uniformly distributed across the semantic space. Extensive experiments on three benchmark datasets demonstrate that GNPR-SID substantially outperforms state-of-the-art methods, achieving up to 16% improvement in recommendation accuracy.

Chenxu Wang 0001, Jinfeng Chen, Junzhou Zhao, Pinghui Wang

Graph Few-Shot Node Classification (GFSNC) has emerged as a promising approach to address the challenge of learning with limited labeled data in graph-structured networks. Despite the success of Graph Neural Networks (GNNs) in node classification tasks, their performance heavily depends on the availability of abundant labeled data, which is often impractical in real-world scenarios. To tackle this issue, GFSNC adopts the episodic meta-learning paradigm, where models are trained on a series of meta-tasks. However, existing methods face two critical limitations: (i) they focus on local distributions within individual meta-tasks, neglecting the global data distribution, and (ii) they optimize models to minimize intra-class distances without adequately addressing inter-class separability, leading to suboptimal performance. This paper presents TaskNS, a novel GFSNC framework that introduces task-negative samples into meta-training tasks to address these limitations. By incorporating samples from classes outside the current meta-task, our framework enables the model to gradually learn the global distribution of the graph data. Additionally, we design a novel loss function that enhances the model's ability to distinguish between different classes of query samples. This loss function not only ensures high intra-class compactness but also maximizes the inter-class separation by leveraging task-negative samples. To further enhance the quality of task-negative samples, we propose an h-hop-neighbors-based sampling method that leverages the topological structure of a graph. It selects task-negative samples that are structurally close to query samples, ensuring that they are informative and challenging for the model to classify. Extensive experiments on four benchmark datasets demonstrate the effectiveness of TaskNS, achieving average improvements of 4.6% in accuracy (ACC) and 4.9% in F1-score over state-of-the-art methods.

Tian Tian 0008, Chunyan Miao, Hangwei Qian

Contrastive learning has emerged as a competent approach for unsupervised representation learning. However, the design of an optimal augmentation strategy, although crucial for contrastive learning, is less explored for time series classification tasks. Existing predefined time-domain augmentation methods are primarily adopted from vision and are not specific to time series data. Consequently, this cross-modality incompatibility may distort the semantically relevant information of time series by introducing mismatched patterns into the data. To address this limitation, we present a novel perspective from the frequency domain and identify three advantages for downstream classification: 1) the frequency component naturally encodes global features, 2) the orthogonal nature of the Fourier basis allows easier isolation and independent modifications of critical and unimportant information, and 3) a compact set of frequency components can preserve semantic integrity. To fully utilize the three properties, we propose the lightweight yet effective Frequency-Refined Augmentation (FreRA) tailored for time series contrastive learning on classification tasks, which can be seamlessly integrated with contrastive learning frameworks in a plug-and-play manner. Specifically, FreRA automatically separates critical and unimportant frequency components. Accordingly, we propose semantic-aware Identity Modification and semantic-agnostic Self-adaptive Modification to protect semantically relevant information in the critical frequency components and infuse variance into the unimportant ones respectively. Theoretically, we prove that FreRA generates semantic-preserving views. Empirically, we conduct extensive experiments on two benchmark datasets, including UCR and UEA archives, as well as five large-scale datasets on diverse applications. FreRA consistently outperforms ten leading baselines on time series classification, anomaly detection, and transfer learning tasks, demonstrating superior capabilities in contrastive representation learning and generalization in transfer learning scenarios across diverse datasets. The code is available at https://github.com/Tian0426/FreRA.

Mingchen Sun, Jiahui Hou, Yutong Zhang, Yingji Li, Ying Wang 0009

Graph prompt learning represents a novel paradigm aimed at enhancing the performance of graph learning models on a variety of downstream tasks by providing specific graph prompts. Despite its promise, current graph prompt learning methods are limited by the following limitations. On the one hand, existing methods often rely on manually selected graph information or simple learnable vectors, which can introduce human biases and lack expressiveness. These methods also fall short in guiding models to induce historical prior knowledge and improve generalization. Furthermore, the direct end-to-end tuning strategy of prompts lacks a necessary gentle transition, which impacts model stability and generalization. To overcome these limitations, we introduce the generalizable graph prompt learning framework (GGPL), which incorporates model-level prompt injection and a two-stage prompt tuning strategy. GGPL focuses on encoding subgraph structures and attributes during pre-training and uses SimGRACE to predict subgraph similarities, enhancing the base model's generalization. The model-level prompt injection module, with its prompt embedding backbone and self-prompt generation, seamlessly integrates invariant knowledge. Our two-stage tuning strategy, including transition and task-specific tuning, ensures better guidance and stability. By designing learnable prompt tokens and fine-tuning them with task-specific information, GGPL enables the model to generalize more robustly to downstream tasks. We conduct extensive experiments on six benchmark datasets to verify the model's effectiveness.

Hui Sun 0002, Yanfeng Ding, Liping Yi, Huidong Ma, Gang Wang 0001, Xiaoguang Liu 0001, Cheng Zhong, Wentong Cai 0001

Learning-based lossless compressors play a crucial role in large-scale genomic database backup, storage, transmission, and management. However, their 1) inadequate compression ratio, 2) low compression & decompression throughput, and 3) poor compression robustness limit their widespread adoption and application in both industry and academia. To solve those challenges, we propose a novel Parallel Multi-Knowledge Learning-based Compressor (PMKLC) with four crucial designs: 1) We propose an automated multi-knowledge learning-based compression framework as compressors' backbone to enhance compression ratio and robustness; 2) we design a GPU-accelerated (s,k)-mer encoder to optimize compression throughput and computing resource usage; 3) we introduce data block partitioning and Step-wise Model Passing (SMP) mechanisms for parallel acceleration; 4) We design two compression modes PMKLC-S and PMKLC-M to meet the complex application scenarios, where the former runs on a resource-constrained single GPU and the latter is multi-GPU accelerated. We benchmark PMKLC-S/M and 14 baselines (7 traditional and 7 leaning-based) on 15 real-world datasets with different species and data sizes. Compared to baselines on the testing datasets, PMKLC-S/M achieve the average compression ratio improvement up to 73.609% and 73.480%, the average throughput improvement up to 3.036X and 10.710X, respectively. Besides, PMKLC-S/M also achieve the best robustness and competitive memory cost, indicating its greater stability against datasets with different probability distribution perturbations, and its strong ability to run on memory-constrained devices. Overall, PMKLC is a balanced compression solution that optimizes compression ratio, throughput, robustness, and resource consumption. PMKLC and linkages of datasets are available at https://github.com/dingyanfeng/PMKLC.

Petros Petsinis, Konstantinos Skitsas, Sayan Ranu, Davide Mottin, Panagiotis Karras

Several applications call to align the nodes of two graphs in a way that minimizes a distance function. In practicality, the graphs to be aligned often have unequal orders (i.e., numbers of vertices) and no auxiliary labels or attributes; we refer to this problem as partial unlabeled graph alignment. Some proposals to address this problem add dummy nodes to the smaller graph to even the orders and align the ensuing graphs or employ embeddings such as GNNs, which yield ad hoc node representations. Unfortunately, as we show, an optimal solution to equal-order graph alignment using dummy nodes does not imply an optimal solution to partial graph alignment. To address this deficiency, in this paper, we propose Alpine, a Partial Unlabeled Graph Alignment algorithm that solely peruses the graphs' adjacency matrices, guided by a tailored objective function inspired by best-of-breed shape matching techniques and a state-of-the-art optimization method. Extensive experiments demonstrate that Alpine consistently surpasses state-of-the-art graph alignment methods in solution quality across all benchmark datasets.

Yangzhe Peng, Kaiyuan Gao, Liang He 0010, Yuheng Cong, Haiguang Liu, Kun He 0001, Lijun Wu 0003

Molecular docking plays a crucial role in predicting the binding mode of ligands to target proteins, and covalent interactions, which involve the formation of a covalent bond between the ligand and the target, are particularly valuable due to their strong, enduring binding nature. However, most existing docking methods and deep learning approaches hardly account for the formation of covalent bonds and the associated structural changes. To address this gap, we introduce a comprehensive benchmark for covalent docking, CovDocker, which is designed to better capture the complexities of covalent binding. We decompose the covalent docking process into three main tasks: reactive location prediction, covalent reaction prediction, and covalent docking. By adapting state-of-the-art models, such as Uni-Mol and Chemformer, we establish baseline performances and demonstrate the effectiveness of the benchmark in accurately predicting interaction sites and modeling the molecular transformations involved in covalent binding. These results confirm the role of the benchmark as a rigorous framework for advancing research in covalent drug design. It underscores the potential of data-driven approaches to accelerate the discovery of selective covalent inhibitors and addresses critical challenges in therapeutic development.

Nabil Anan Orka, Ehtashamul Haque, Md. Abdul Awal, Mohammad Ali Moni

Despite the advancements in quantum convolution or quanvolution, challenges persist in making quanvolution scalable, efficient, and applicable to multi-dimensional data. Existing quanvolutional networks heavily rely on classical layers, with minimal quantum involvement due to inherent limitations in current quanvolution algorithms. Moreover, the application of quanvolution in the domain of 1D data remains largely unexplored. To address these limitations, we propose a new quanvolution algorithm-Quanv1D-capable of processing arbitrary-channel 1D data, handling variable kernel sizes, and generating a customizable number of feature maps, along with a classification network-fully quanvolutional network (FQN)-built solely using Quanv1D layers. Quanv1D is inspired by the classical Conv1D and stands out from the quanvolution literature by being fully trainable, modular, and freely scalable with a self-regularizing feature. To evaluate FQN, we tested it on 20 UEA and UCR time series datasets, both univariate and multivariate, and benchmarked its performance against state-of-the-art convolutional models (both quantum and classical). We found FQN to outperform all compared models in terms of average accuracy while using significantly fewer parameters. Additionally, to assess the viability of FQN on real hardware, we conducted a shot-based analysis across all the datasets to simulate statistical quantum noise and found our model robust and equally efficient.

Jihye Na, Youngeun Nam, Junhyeok Kang, Jae-Gil Lee 0001

Time-series unsupervised domain adaptation (TS-UDA) is essential in fields such as healthcare and manufacturing, where data often consists of distinct entities, such as individual patients or machinery. This heterogeneity leads to discrepancies not only in feature distributions but also in label distributions, posing a significant challenge for domain adaptation. However, prior studies have mostly focused on alleviating covariate shifts, resulting in predicted target labels that are often biased toward the source domain's label distribution. To address this issue, we propose Time-series domain Adaptation for mitigating Label Shifts (TA4LS), a novel label refinement approach. TA4LS leverages the consistency between predicted labels and clustering information obtained from the unique characteristics that differentiate each label in the target domain. Furthermore, our approach as a plug-in module achieves performance improvements across diverse existing unsupervised domain adaptation methods, particularly in scenarios with significant discrepancies between source and target label distributions. In experiments on four benchmark datasets with label shifts, TA4LS demonstrates superior performance across six unsupervised domain adaptation methods and six label shift handling modules.