Wei Cao

Tianping Zhang, Zheyu Zhang, Zhiyuan Fan et al.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

Tianping Zhang, Yizhuo Zhang, Wei Cao et al. · tsinghua, uw

Multivariate time series forecasting has seen widely ranging applications in various domains, including finance, traffic, energy, and healthcare. To capture the sophisticated temporal patterns, plenty of research studies designed complex neural network architectures based on many variants of RNNs, GNNs, and Transformers. However, complex models are often computationally expensive and thus face a severe challenge in training and inference efficiency when applied to large-scale real-world datasets. In this paper, we introduce LightTS, a light deep learning architecture merely based on simple MLP-based structures. The key idea of LightTS is to apply an MLP-based structure on top of two delicate down-sampling strategies, including interval sampling and continuous sampling, inspired by a crucial fact that down-sampling time series often preserves the majority of its information. We conduct extensive experiments on eight widely used benchmark datasets. Compared with the existing state-of-the-art methods, LightTS demonstrates better performance on five of them and comparable performance on the rest. Moreover, LightTS is highly efficient. It uses less than 5% FLOPS compared with previous SOTA methods on the largest benchmark dataset. In addition, LightTS is robust and has a much smaller variance in forecasting accuracy than previous SOTA methods in long sequence forecasting tasks.

Wei Fan, Shun Zheng, Xiaohan Yi et al.

Periodic time series (PTS) forecasting plays a crucial role in a variety of industries to foster critical tasks, such as early warning, pre-planning, resource scheduling, etc. However, the complicated dependencies of the PTS signal on its inherent periodicity as well as the sophisticated composition of various periods hinder the performance of PTS forecasting. In this paper, we introduce a deep expansion learning framework, DEPTS, for PTS forecasting. DEPTS starts with a decoupled formulation by introducing the periodic state as a hidden variable, which stimulates us to make two dedicated modules to tackle the aforementioned two challenges. First, we develop an expansion module on top of residual learning to perform a layer-by-layer expansion of those complicated dependencies. Second, we introduce a periodicity module with a parameterized periodic function that holds sufficient capacity to capture diversified periods. Moreover, our two customized modules also have certain interpretable capabilities, such as attributing the forecasts to either local momenta or global periodicity and characterizing certain core periodic properties, e.g., amplitudes and frequencies. Extensive experiments on both synthetic data and real-world data demonstrate the effectiveness of DEPTS on handling PTS. In most cases, DEPTS achieves significant improvements over the best baseline. Specifically, the error reduction can even reach up to 20% for a few cases. Finally, all codes are publicly available.

Chenguo Lin, Xumeng Wen, Wei Cao et al.

Recent research on time-series self-supervised models shows great promise in learning semantic representations. However, it has been limited to small-scale datasets, e.g., thousands of temporal sequences. In this work, we make key technical contributions that are tailored to the numerical properties of time-series data and allow the model to scale to large datasets, e.g., millions of temporal sequences. We adopt the Transformer architecture by first partitioning the input into non-overlapping windows. Each window is then characterized by its normalized shape and two scalar values denoting the mean and standard deviation within each window. To embed scalar values that may possess arbitrary numerical amplitudes in a high-dimensional space, we propose a numerically multi-scaled embedding module enumerating all possible numerical scales for the scalars. The model undergoes pretraining with a simple contrastive objective on a large-scale dataset over a million sequences collected by merging existing public data. We study its transfer performance on a number of univariate and multivariate classification tasks, few shot learning, unsupervised clustering and anomaly detection benchmarks. Our method exhibits remarkable improvement against previous pretraining approaches and establishes the new state of the art, even compared with domain-specific non-learning-based methods. Code is available at: \url{https://github.com/chenguolin/NuTime}.

Jiawen Zhang, Shun Zheng, Wei Cao et al.

Irregularly sampled multivariate time series are ubiquitous in various fields, particularly in healthcare, and exhibit two key characteristics: intra-series irregularity and inter-series discrepancy. Intra-series irregularity refers to the fact that time-series signals are often recorded at irregular intervals, while inter-series discrepancy refers to the significant variability in sampling rates among diverse series. However, recent advances in irregular time series have primarily focused on addressing intra-series irregularity, overlooking the issue of inter-series discrepancy. To bridge this gap, we present Warpformer, a novel approach that fully considers these two characteristics. In a nutshell, Warpformer has several crucial designs, including a specific input representation that explicitly characterizes both intra-series irregularity and inter-series discrepancy, a warping module that adaptively unifies irregular time series in a given scale, and a customized attention module for representation learning. Additionally, we stack multiple warping and attention modules to learn at different scales, producing multi-scale representations that balance coarse-grained and fine-grained signals for downstream tasks. We conduct extensive experiments on widely used datasets and a new large-scale benchmark built from clinical databases. The results demonstrate the superiority of Warpformer over existing state-of-the-art approaches.

Andrey A. Kistanov, Stepan A. Shcherbinin, Romain Botella et al.

A large number of novel two-dimensional (2D) materials are constantly discovered and deposed into the databases. Consolidate implementation of machine learning algorithms and density functional theory (DFT) based predictions have allowed creating several databases containing an unimaginable amount of 2D samples. The next step in this chain, the investigation leads to a comprehensive study of the functionality of the invented materials. In this work, a family of transition metal dichlorides has been screened out for systematical investigation of their structural stability, fundamental properties, structural defects, and environmental stability via DFT based calculations. The work highlights the importance of using the potential of the invented materials and proposes a comprehensive characterization of a new family of 2D materials.

Hangting Ye, Zhining Liu, Xinyi Shen et al.

Unsupervised Anomaly Detection (UAD) is a key data mining problem owing to its wide real-world applications. Due to the complete absence of supervision signals, UAD methods rely on implicit assumptions about anomalous patterns (e.g., scattered/sparsely/densely clustered) to detect anomalies. However, real-world data are complex and vary significantly across different domains. No single assumption can describe such complexity and be valid in all scenarios. This is also confirmed by recent research that shows no UAD method is omnipotent. Based on above observations, instead of searching for a magic universal winner assumption, we seek to design a general UAD Booster (UADB) that empowers any UAD models with adaptability to different data. This is a challenging task given the heterogeneous model structures and assumptions adopted by existing UAD methods. To achieve this, we dive deep into the UAD problem and find that compared to normal data, anomalies (i) lack clear structure/pattern in feature space, thus (ii) harder to learn by model without a suitable assumption, and finally, leads to (iii) high variance between different learners. In light of these findings, we propose to (i) distill the knowledge of the source UAD model to an imitation learner (booster) that holds no data assumption, then (ii) exploit the variance between them to perform automatic correction, and thus (iii) improve the booster over the original UAD model. We use a neural network as the booster for its strong expressive power as a universal approximator and ability to perform flexible post-hoc tuning. Note that UADB is a model-agnostic framework that can enhance heterogeneous UAD models in a unified way. Extensive experiments on over 80 tabular datasets demonstrate the effectiveness of UADB.

Hongkuan Zhou, Wei Cao, Aifen Sui et al.

End-to-end autonomous driving, where the entire driving pipeline is replaced with a single neural network, has recently gained research attention because of its simpler structure and faster inference time. Despite this appealing approach largely reducing the complexity in the driving pipeline, it also leads to safety issues because the trained policy is not always compliant with the traffic rules. In this paper, we proposed P-CSG, a penalty-based imitation learning approach with contrastive-based cross semantics generation sensor fusion technologies to increase the overall performance of end-to-end autonomous driving. In this method, we introduce three penalties - red light, stop sign, and curvature speed penalty to make the agent more sensitive to traffic rules. The proposed cross semantics generation helps to align the shared information of different input modalities. We assessed our model's performance using the CARLA Leaderboard - Town 05 Long Benchmark and Longest6 Benchmark, achieving 8.5% and 2.0% driving score improvement compared to the baselines. Furthermore, we conducted robustness evaluations against adversarial attacks like FGSM and Dot attacks, revealing a substantial increase in robustness compared to other baseline models. More detailed information can be found at https://hk-zh.github.io/p-csg-plus.

Jun Wang, Wenjie Du, Yiyuan Yang et al.

Missing values are ubiquitous in multivariate time series (MTS) data, posing significant challenges for accurate analysis and downstream applications. In recent years, deep learning-based methods have successfully handled missing data by leveraging complex temporal dependencies and learned data distributions. In this survey, we provide a comprehensive summary of deep learning approaches for multivariate time series imputation (MTSI) tasks. We propose a novel taxonomy that categorizes existing methods based on two key perspectives: imputation uncertainty and neural network architecture. Furthermore, we summarize existing MTSI toolkits with a particular emphasis on the PyPOTS Ecosystem, which provides an integrated and standardized foundation for MTSI research. Finally, we discuss key challenges and future research directions, which give insight for further MTSI research. This survey aims to serve as a valuable resource for researchers and practitioners in the field of time series analysis and missing data imputation tasks.A well-maintained MTSI paper and tool list are available at https://github.com/WenjieDu/Awesome_Imputation.

Wei Cao, Liguo Zhou, Yuhong Huang et al.

There are many artificial intelligence algorithms for autonomous driving, but directly installing these algorithms on vehicles is unrealistic and expensive. At the same time, many of these algorithms need an environment to train and optimize. Simulation is a valuable and meaningful solution with training and testing functions, and it can say that simulation is a critical link in the autonomous driving world. There are also many different applications or systems of simulation from companies or academies such as SVL and Carla. These simulators flaunt that they have the closest real-world simulation, but their environment objects, such as pedestrians and other vehicles around the agent-vehicle, are already fixed programmed. They can only move along the pre-setting trajectory, or random numbers determine their movements. What is the situation when all environmental objects are also installed by Artificial Intelligence, or their behaviors are like real people or natural reactions of other drivers? This problem is a blind spot for most of the simulation applications, or these applications cannot be easy to solve this problem. The Neurorobotics Platform from the TUM team of Prof. Alois Knoll has the idea about "Engines" and "Transceiver Functions" to solve the multi-agents problem. This report will start with a little research on the Neurorobotics Platform and analyze the potential and possibility of developing a new simulator to achieve the true real-world simulation goal. Then based on the NRP-Core Platform, this initial development aims to construct an initial demo experiment. The consist of this report starts with the basic knowledge of NRP-Core and its installation, then focus on the explanation of the necessary components for a simulation experiment, at last, about the details of constructions for the autonomous driving system, which is integrated object detection and autonomous control.

Wei Cao, Marcel Hallgarten, Tianyu Li et al.

Existing evaluation paradigms for Autonomous Vehicles (AVs) face critical limitations. Real-world evaluation is often challenging due to safety concerns and a lack of reproducibility, whereas closed-loop simulation can face insufficient realism or high computational costs. Open-loop evaluation, while being efficient and data-driven, relies on metrics that generally overlook compounding errors. In this paper, we propose pseudo-simulation, a novel paradigm that addresses these limitations. Pseudo-simulation operates on real datasets, similar to open-loop evaluation, but augments them with synthetic observations generated prior to evaluation using 3D Gaussian Splatting. Our key idea is to approximate potential future states the AV might encounter by generating a diverse set of observations that vary in position, heading, and speed. Our method then assigns a higher importance to synthetic observations that best match the AV's likely behavior using a novel proximity-based weighting scheme. This enables evaluating error recovery and the mitigation of causal confusion, as in closed-loop benchmarks, without requiring sequential interactive simulation. We show that pseudo-simulation is better correlated with closed-loop simulations ($R^2=0.8$) than the best existing open-loop approach ($R^2=0.7$). We also establish a public leaderboard for the community to benchmark new methodologies with pseudo-simulation. Our code is available at https://github.com/autonomousvision/navsim.

Shuqiang Wang, Wei Cao, Jiaqi Weng et al.

Large Reasoning Models (LRMs) are increasingly integrated into systems requiring reliable multi-step inference, yet this growing dependence exposes new vulnerabilities related to computational availability. In particular, LRMs exhibit a tendency to "overthink", producing excessively long and redundant reasoning traces, when confronted with incomplete or logically inconsistent inputs. This behavior significantly increases inference latency and energy consumption, forming a potential vector for denial-of-service (DoS) style resource exhaustion. In this work, we investigate this attack surface and propose an automated black-box framework that induces overthinking in LRMs by systematically perturbing the logical structure of input problems. Our method employs a hierarchical genetic algorithm (HGA) operating on structured problem decompositions, and optimizes a composite fitness function designed to maximize both response length and reflective overthinking markers. Across four state-of-the-art reasoning models, the proposed method substantially amplifies output length, achieving up to a 26.1x increase on the MATH benchmark and consistently outperforming benign and manually crafted missing-premise baselines. We further demonstrate strong transferability, showing that adversarial inputs evolved using a small proxy model retain high effectiveness against large commercial LRMs. These findings highlight overthinking as a shared and exploitable vulnerability in modern reasoning systems, underscoring the need for more robust defenses.

Wenliang Li, Rui Yan, Xu Zhang et al.

Large language models (LLMs) have demonstrated notable potential in medical applications, yet they face substantial challenges in handling complex real-world clinical diagnoses using conventional prompting methods. Current prompt engineering and multi-agent approaches typically optimize isolated inferences, neglecting the accumulation of reusable clinical experience. To address this, this study proposes a novel Multi-Agent Clinical Diagnosis (MACD) framework, which allows LLMs to self-learn clinical knowledge via a multi-agent pipeline that summarizes, refines, and applies diagnostic insights. It mirrors how physicians develop expertise through experience, enabling more focused and accurate diagnosis on key disease-specific cues. We further extend it to a MACD-human collaborative workflow, where multiple LLM-based diagnostician agents engage in iterative consultations, supported by an evaluator agent and human oversight for cases where agreement is not reached. Evaluated on 4,390 real-world patient cases across seven diseases using diverse open-source LLMs (Llama-3.1 8B/70B, DeepSeek-R1-Distill-Llama 70B), MACD significantly improves primary diagnostic accuracy, outperforming established clinical guidelines with gains up to 22.3% (MACD). In direct comparison with physician-only diagnosis under the same evaluation protocol, MACD achieves comparable or superior performance, with improvements up to 16%. Furthermore, the MACD-human workflow yields an 18.6% improvement over physician-only diagnosis, demonstrating the synergistic potential of human-AI collaboration. Notably, the self-learned clinical knowledge exhibits strong cross-model stability, transferability across LLMs, and capacity for model-specific personalization.This work thus presents a scalable self-learning paradigm that bridges the gap between the intrinsic knowledge of LLMs.

Zhining Liu, Pengfei Wei, Zhepei Wei et al.

Class-imbalance is a common problem in machine learning practice. Typical Imbalanced Learning (IL) methods balance the data via intuitive class-wise resampling or reweighting. However, previous studies suggest that beyond class-imbalance, intrinsic data difficulty factors like overlapping, noise, and small disjuncts also play critical roles. To handle them, many solutions have been proposed (e.g., noise removal, borderline sampling, hard example mining) but are still confined to a specific factor and cannot generalize to broader scenarios, which raises an interesting question: how to handle both class-agnostic difficulties and the class-imbalance in a unified way? To answer this, we consider both class-imbalance and its orthogonal: intra-class imbalance, i.e., the imbalanced distribution over easy and hard samples. Such distribution naturally reflects the complex influence of class-agnostic intrinsic data difficulties thus providing a new unified view for identifying and handling these factors during learning. From this perspective, we discuss the pros and cons of existing IL solutions and further propose new balancing techniques for more robust and efficient IL. Finally, we wrap up all solutions into a generic ensemble IL framework, namely DuBE (Duple-Balanced Ensemble). It features explicit and efficient inter-\&intra-class balancing as well as easy extension with standardized APIs. Extensive experiments validate the effectiveness of DuBE. Code, examples, and documentation are available at https://github.com/AnonAuthorAI/duplebalance and https://duplebalance.readthedocs.io.

Zhining Liu, Pengfei Wei, Jing Jiang et al.

Imbalanced learning (IL), i.e., learning unbiased models from class-imbalanced data, is a challenging problem. Typical IL methods including resampling and reweighting were designed based on some heuristic assumptions. They often suffer from unstable performance, poor applicability, and high computational cost in complex tasks where their assumptions do not hold. In this paper, we introduce a novel ensemble IL framework named MESA. It adaptively resamples the training set in iterations to get multiple classifiers and forms a cascade ensemble model. MESA directly learns the sampling strategy from data to optimize the final metric beyond following random heuristics. Moreover, unlike prevailing meta-learning-based IL solutions, we decouple the model-training and meta-training in MESA by independently train the meta-sampler over task-agnostic meta-data. This makes MESA generally applicable to most of the existing learning models and the meta-sampler can be efficiently applied to new tasks. Extensive experiments on both synthetic and real-world tasks demonstrate the effectiveness, robustness, and transferability of MESA. Our code is available at https://github.com/ZhiningLiu1998/mesa.

Shun Zheng, Wei Cao, Wei Xu et al.

Most existing event extraction (EE) methods merely extract event arguments within the sentence scope. However, such sentence-level EE methods struggle to handle soaring amounts of documents from emerging applications, such as finance, legislation, health, etc., where event arguments always scatter across different sentences, and even multiple such event mentions frequently co-exist in the same document. To address these challenges, we propose a novel end-to-end model, Doc2EDAG, which can generate an entity-based directed acyclic graph to fulfill the document-level EE (DEE) effectively. Moreover, we reformalize a DEE task with the no-trigger-words design to ease the document-level event labeling. To demonstrate the effectiveness of Doc2EDAG, we build a large-scale real-world dataset consisting of Chinese financial announcements with the challenges mentioned above. Extensive experiments with comprehensive analyses illustrate the superiority of Doc2EDAG over state-of-the-art methods. Data and codes can be found at https://github.com/dolphin-zs/Doc2EDAG.

Wei Cao, Hao Xu, Xiaolei Diao

Chinese character categories are extremely large, and unseen characters frequently arise in open-world scenarios, making zero-shot Chinese character recognition an important yet challenging problem. Existing IDS-based retrieval methods usually encode a character image and its ideographic description sequence into a single global vector for matching. Although efficient, such holistic alignment often under-models local component differences. Moreover, directly introducing patch-token level fine-grained interaction suffers from both the noise of structural operators in IDS and the high cost of full-candidate retrieval.To address these issues, we propose a Global-Local Hierarchical Perception Network (GL-HPN), which jointly learns global and local representations of character images and IDS sequences within a unified cross-modal alignment framework. The global branch supports efficient coarse recall, while the local branch improves component-level discrimination through patch-token interaction. We further introduce a structure filtering mask to suppress structurally meaningful but visually non-entity IDS operators in local similarity aggregation. On top of this, we design a coarse-to-fine hierarchical inference strategy that performs global retrieval over the full candidate set and local reranking only on Top-$K$ candidates, followed by parameter-free multiplicative fusion of normalized posterior scores. Experimental results show that GL-HPN achieves competitive performance across multiple zero-shot splits, performs especially well under low-resource settings, and substantially reduces the inference cost of large-scale candidate retrieval.

Wang Fan, Wei Cao, Xi Zha et al.

Long contexts improve capabilities of large language models but pose serious hardware challenges: compute and memory footprints grow linearly with sequence length. Particularly, the decoding phase continuously accesses massive KV cache, dramatically increasing bandwidth and computing pressure. Existing accelerators are primarily designed and evaluated for short contexts. They suffer from significant performance degradation when processing long contexts. To bridge this gap, we identify the major bottleneck and present a hardware accelerator for long context attention decoding via hardware-software co-design. On the software side, we propose dual-compression dynamic sparse attention. It combines ultra-low-precision quantization with feature sparsity to minimize prediction overhead. A hardware-friendly approximate Top-K selection further reduces filter complexity from $O(n \log k)$ to $O(n)$. On the hardware side, we deeply optimize compute and memory access to tackle bottlenecks from intricate interplay between sparse attention and long contexts, and establish a performance model to derive the optimal co-design scheme. The resulting hardware adopts a fully pipelined parallel architecture and achieves $O(n)$ efficiency even for long sequences. Experiments show that our design delivers $3.82\times$ speedup and $74.19\times$ energy efficiency over A100. Compared to SOTA accelerators, this is the first ASIC accelerator that efficiently supports long context inference, with at least $3.5\times$ higher throughput and $2.08\times$ better energy efficiency.

Wenfeng Huang, Xiangyun Liao, Wei Cao et al.

Medical image super-resolution (SR) is essential for enhancing diagnostic accuracy while reducing acquisition cost and scanning time. However, modeling both long-range anatomical structures and fine-grained frequency details with low computational overhead remains challenging. We propose FGMamba, a novel frequency-aware gated state-space model that unifies global dependency modeling and fine-detail enhancement into a lightweight architecture. Our method introduces two key innovations: a Gated Attention-enhanced State-Space Module (GASM) that integrates efficient state-space modeling with dual-branch spatial and channel attention, and a Pyramid Frequency Fusion Module (PFFM) that captures high-frequency details across multiple resolutions via FFT-guided fusion. Extensive evaluations across five medical imaging modalities (Ultrasound, OCT, MRI, CT, and Endoscopic) demonstrate that FGMamba achieves superior PSNR/SSIM while maintaining a compact parameter footprint ($<$0.75M), outperforming CNN-based and Transformer-based SOTAs. Our results validate the effectiveness of frequency-aware state-space modeling for scalable and accurate medical image enhancement.

Wei Cao, Chang Luo, Biao Zhang et al.

We introduce Motion2VecSets, a 4D diffusion model for dynamic surface reconstruction from point cloud sequences. While existing state-of-the-art methods have demonstrated success in reconstructing non-rigid objects using neural field representations, conventional feed-forward networks encounter challenges with ambiguous observations from noisy, partial, or sparse point clouds. To address these challenges, we introduce a diffusion model that explicitly learns the shape and motion distribution of non-rigid objects through an iterative denoising process of compressed latent representations. The diffusion-based priors enable more plausible and probabilistic reconstructions when handling ambiguous inputs. We parameterize 4D dynamics with latent sets instead of using global latent codes. This novel 4D representation allows us to learn local shape and deformation patterns, leading to more accurate non-linear motion capture and significantly improving generalizability to unseen motions and identities. For more temporally-coherent object tracking, we synchronously denoise deformation latent sets and exchange information across multiple frames. To avoid computational overhead, we designed an interleaved space and time attention block to alternately aggregate deformation latents along spatial and temporal domains. Extensive comparisons against state-of-the-art methods demonstrate the superiority of our Motion2VecSets in 4D reconstruction from various imperfect observations. More detailed information can be found at https://vveicao.github.io/projects/Motion2VecSets/.

Hongkuan Zhou, Stefan Schmid, Yicong Li et al.

The autonomous driving field has seen remarkable advancements in various topics, such as object recognition, trajectory prediction, and motion planning. However, current approaches face limitations in effectively comprehending the complex evolutions of driving scenes over time. This paper proposes FM4SU, a novel methodology for training a symbolic foundation model (FM) for scene understanding in autonomous driving. It leverages knowledge graphs (KGs) to capture sensory observation along with domain knowledge such as road topology, traffic rules, or complex interactions between traffic participants. A bird's eye view (BEV) symbolic representation is extracted from the KG for each driving scene, including the spatio-temporal information among the objects across the scenes. The BEV representation is serialized into a sequence of tokens and given to pre-trained language models (PLMs) for learning an inherent understanding of the co-occurrence among driving scene elements and generating predictions on the next scenes. We conducted a number of experiments using the nuScenes dataset and KG in various scenarios. The results demonstrate that fine-tuned models achieve significantly higher accuracy in all tasks. The fine-tuned T5 model achieved a next scene prediction accuracy of 86.7%. This paper concludes that FM4SU offers a promising foundation for developing more comprehensive models for scene understanding in autonomous driving.

Jialin Chen, Zhiqiang Cai, Ke Xu et al.

Considering the noise level limit, one crucial aspect for quantum machine learning is to design a high-performing variational quantum circuit architecture with small number of quantum gates. As the classical neural architecture search (NAS), quantum architecture search methods (QAS) employ methods like reinforcement learning, evolutionary algorithms and supernet optimiza-tion to improve the search efficiency. In this paper, we propose a novel qubit-wise architec-ture search (QWAS) method, which progres-sively search one-qubit configuration per stage, and combine with Monte Carlo Tree Search al-gorithm to find good quantum architectures by partitioning the search space into several good and bad subregions. The numerical experimental results indicate that our proposed method can balance the exploration and exploitation of cir-cuit performance and size in some real-world tasks, such as MNIST, Fashion and MOSI. As far as we know, QWAS achieves the state-of-art re-sults of all tasks in the terms of accuracy and circuit size.

Wei Cao, Hao Zhang, Fengrui Tian et al.

Camera redirection aims to replay a dynamic scene from a single monocular video under a user-specified camera trajectory. However, large-angle redirection is inherently ill-posed: a monocular video captures only a narrow spatio-temporal view of a dynamic 3D scene, providing highly partial observations of the underlying 4D world. The key challenge is therefore to recover a complete and coherent representation from this limited input, with consistent geometry and motion. While recent diffusion-based methods achieve impressive results, they often break down under large-angle viewpoint changes far from the original trajectory, where missing visual grounding leads to severe geometric ambiguity and temporal inconsistency. To address this, we present FreeOrbit4D, an effective training-free framework that tackles this geometric ambiguity by recovering a geometry-complete 4D proxy as structural grounding for video generation. We obtain this proxy by decoupling foreground and background reconstructions: we unproject the monocular video into a static background and geometry-incomplete foreground point clouds in a unified global space, then leverage an object-centric multi-view diffusion model to synthesize multi-view images and reconstruct geometry-complete foreground point clouds in canonical object space. By aligning the canonical foreground point cloud to the global scene space via dense pixel-synchronized 3D--3D correspondences and projecting the geometry-complete 4D proxy onto target camera viewpoints, we provide geometric scaffolds that guide a conditional video diffusion model. Extensive experiments show that FreeOrbit4D produces more faithful redirected videos under challenging large-angle trajectories, and our geometry-complete 4D proxy further opens a potential avenue for practical applications such as edit propagation and 4D data generation. Project page and code will be released soon.

Wei Cao, Shanshan Wang

Expectile regression neural networks (ERNNs) are powerful tools for capturing heterogeneity and complex nonlinear structures in data. However, most existing research has primarily focused on fully observed data, with limited attention paid to scenarios involving censored observations. In this paper, we propose a data augmentation based ERNNs algorithm, termed DAERNN, for modeling heterogeneous censored data. The proposed DAERNN is fully data driven, requires minimal assumptions, and offers substantial flexibility. Simulation studies and real data applications demonstrate that DAERNN outperforms existing censored ERNNs methods and achieves predictive performance comparable to models trained on fully observed data. Moreover, the algorithm provides a unified framework for handling various censoring mechanisms without requiring explicit parametric model specification, thereby enhancing its applicability to practical censored data analysis.

Bang Hu, Changze Lv, Mingjie Li et al.

Spiking neural networks (SNNs), inspired by the spiking behavior of biological neurons, offer a distinctive approach for capturing the complexities of temporal data. However, their potential for spatial modeling in multivariate time-series forecasting remains largely unexplored. To bridge this gap, we introduce a brand new SNN architecture, which is among the first to seamlessly integrate graph structural learning with spike-based temporal processing for multivariate time-series forecasting. Specifically, we first embed time features and an adaptive matrix, eliminating the need for predefined graph structures. We then further learn sequence features through the Observation (OBS) Block. Building upon this, our Multi-Scale Spike Aggregation (MSSA) hierarchically aggregates neighborhood information through spiking SAGE layers, enabling multi-hop feature extraction while eliminating the need for floating-point operations. Finally, we propose a Dual-Path Spike Fusion (DSF) Block to integrate spatial graph features and temporal dynamics via a spike-gated mechanism, combining LSTM-processed sequences with spiking self-attention outputs, effectively improve the model accuracy of long sequence datasets. Experiments show that our model surpasses the state-of-the-art SNN-based iSpikformer on all datasets and outperforms traditional temporal models at long horizons, thereby establishing a new paradigm for efficient spatial-temporal modeling.

Yuxuan Zeng, Wenhao Xie, Wei Cao et al.

The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In this work, we present a deep learning model capable of accurately predicting thermoelectric properties of doped materials directly from their chemical formulas, achieving state-of-the-art performance. To enhance interpretability, we further incorporate sensitivity analysis techniques to elucidate how physical descriptors affect the thermoelectric figure of merit (zT). Moreover, we establish a coupled framework that integrates a surrogate model with a multi-objective genetic algorithm to efficiently explore the vast compositional space for high-performance candidates. Experimental validation confirms the discovery of a novel thermoelectric material with superior $zT$ values in the medium-temperature regime.

Jiansong Li, Xiao Dong, Guangli Li et al.

The training of deep neural networks (DNNs) is usually memory-hungry due to the limited device memory capacity of DNN accelerators. Characterizing the memory behaviors of DNN training is critical to optimize the device memory pressures. In this work, we pinpoint the memory behaviors of each device memory block of GPU during training by instrumenting the memory allocators of the runtime system. Our results show that the memory access patterns of device memory blocks are stable and follow an iterative fashion. These observations are useful for the future optimization of memory-efficient training from the perspective of raw memory access patterns.

Yanfei Kang, Wei Cao, Fotios Petropoulos et al.

Forecast combinations have been widely applied in the last few decades to improve forecasting. Estimating optimal weights that can outperform simple averages is not always an easy task. In recent years, the idea of using time series features for forecast combination has flourished. Although this idea has been proved to be beneficial in several forecasting competitions, it may not be practical in many situations. For example, the task of selecting appropriate features to build forecasting models is often challenging. Even if there was an acceptable way to define the features, existing features are estimated based on the historical patterns, which are likely to change in the future. Other times, the estimation of the features is infeasible due to limited historical data. In this work, we suggest a change of focus from the historical data to the produced forecasts to extract features. We use out-of-sample forecasts to obtain weights for forecast combinations by amplifying the diversity of the pool of methods being combined. A rich set of time series is used to evaluate the performance of the proposed method. Experimental results show that our diversity-based forecast combination framework not only simplifies the modelling process but also achieves superior forecasting performance in terms of both point forecasts and prediction intervals. The value of our proposition lies on its simplicity, transparency, and computational efficiency, elements that are important from both an optimisation and a decision analysis perspective.

Wei Cao, Alex Dytso, Michael Fauß et al.

This paper considers the problem of estimation of the Fisher information for location from a random sample of size $n$. First, an estimator proposed by Bhattacharya is revisited and improved convergence rates are derived. Second, a new estimator, termed a clipped estimator, is proposed. Superior upper bounds on the rates of convergence can be shown for the new estimator compared to the Bhattacharya estimator, albeit with different regularity conditions. Third, both of the estimators are evaluated for the practically relevant case of a random variable contaminated by Gaussian noise. Moreover, using Brown's identity, which relates the Fisher information and the minimum mean squared error (MMSE) in Gaussian noise, two corresponding consistent estimators for the MMSE are proposed. Simulation examples for the Bhattacharya estimator and the clipped estimator as well as the MMSE estimators are presented. The examples demonstrate that the clipped estimator can significantly reduce the required sample size to guarantee a specific confidence interval compared to the Bhattacharya estimator.

Fan Yang, Ling Chen, Fan Zhou et al.

Real-world dynamical systems often consist of multiple stochastic subsystems that interact with each other. Modeling and forecasting the behavior of such dynamics are generally not easy, due to the inherent hardness in understanding the complicated interactions and evolutions of their constituents. This paper introduces the relational state-space model (R-SSM), a sequential hierarchical latent variable model that makes use of graph neural networks (GNNs) to simulate the joint state transitions of multiple correlated objects. By letting GNNs cooperate with SSM, R-SSM provides a flexible way to incorporate relational information into the modeling of multi-object dynamics. We further suggest augmenting the model with normalizing flows instantiated for vertex-indexed random variables and propose two auxiliary contrastive objectives to facilitate the learning. The utility of R-SSM is empirically evaluated on synthetic and real time-series datasets.

Weiqi Chen, Ling Chen, Yu Xie et al.

Traffic forecasting is of great importance to transportation management and public safety, and very challenging due to the complicated spatial-temporal dependency and essential uncertainty brought about by the road network and traffic conditions. Latest studies mainly focus on modeling the spatial dependency by utilizing graph convolutional networks (GCNs) throughout a fixed weighted graph. However, edges, i.e., the correlations between pair-wise nodes, are much more complicated and interact with each other. In this paper, we propose the Multi-Range Attentive Bicomponent GCN (MRA-BGCN), a novel deep learning model for traffic forecasting. We first build the node-wise graph according to the road network distance and the edge-wise graph according to various edge interaction patterns. Then, we implement the interactions of both nodes and edges using bicomponent graph convolution. The multi-range attention mechanism is introduced to aggregate information in different neighborhood ranges and automatically learn the importance of different ranges. Extensive experiments on two real-world road network traffic datasets, METR-LA and PEMS-BAY, show that our MRA-BGCN achieves the state-of-the-art results.

Zhining Liu, Wei Cao, Zhifeng Gao et al.

Many real-world applications reveal difficulties in learning classifiers from imbalanced data. The rising big data era has been witnessing more classification tasks with large-scale but extremely imbalance and low-quality datasets. Most of existing learning methods suffer from poor performance or low computation efficiency under such a scenario. To tackle this problem, we conduct deep investigations into the nature of class imbalance, which reveals that not only the disproportion between classes, but also other difficulties embedded in the nature of data, especially, noises and class overlapping, prevent us from learning effective classifiers. Taking those factors into consideration, we propose a novel framework for imbalance classification that aims to generate a strong ensemble by self-paced harmonizing data hardness via under-sampling. Extensive experiments have shown that this new framework, while being very computationally efficient, can lead to robust performance even under highly overlapping classes and extremely skewed distribution. Note that, our methods can be easily adapted to most of existing learning methods (e.g., C4.5, SVM, GBDT and Neural Network) to boost their performance on imbalanced data.

Dong Wang, Yitong Li, Wei Cao et al.

We propose a Leaked Motion Video Predictor (LMVP) to predict future frames by capturing the spatial and temporal dependencies from given inputs. The motion is modeled by a newly proposed component, motion guider, which plays the role of both learner and teacher. Specifically, it {\em learns} the temporal features from real data and {\em guides} the generator to predict future frames. The spatial consistency in video is modeled by an adaptive filtering network. To further ensure the spatio-temporal consistency of the prediction, a discriminator is also adopted to distinguish the real and generated frames. Further, the discriminator leaks information to the motion guider and the generator to help the learning of motion. The proposed LMVP can effectively learn the static and temporal features in videos without the need for human labeling. Experiments on synthetic and real data demonstrate that LMVP can yield state-of-the-art results.

Wei Cao, Dong Wang, Jian Li et al.

Time series are widely used as signals in many classification/regression tasks. It is ubiquitous that time series contains many missing values. Given multiple correlated time series data, how to fill in missing values and to predict their class labels? Existing imputation methods often impose strong assumptions of the underlying data generating process, such as linear dynamics in the state space. In this paper, we propose BRITS, a novel method based on recurrent neural networks for missing value imputation in time series data. Our proposed method directly learns the missing values in a bidirectional recurrent dynamical system, without any specific assumption. The imputed values are treated as variables of RNN graph and can be effectively updated during the backpropagation.BRITS has three advantages: (a) it can handle multiple correlated missing values in time series; (b) it generalizes to time series with nonlinear dynamics underlying; (c) it provides a data-driven imputation procedure and applies to general settings with missing data.We evaluate our model on three real-world datasets, including an air quality dataset, a health-care data, and a localization data for human activity. Experiments show that our model outperforms the state-of-the-art methods in both imputation and classification/regression accuracies.

Wei Cao, Wenxu Song, Xinge Li et al.

This research addressed whether interactions with social robots could facilitate joint attention of the autism spectrum disorder (ASD). Two conditions of initiators, namely 'Human' vs. 'Robot' were measured with 15 children with ASD and 15 age-matched typically developing (TD) children. Apart from fixation and gaze transition, a new longest common subsequence (LCS) approach was proposed to analyze eye-movement traces. Results revealed that children with ASD showed deficits of joint attention. Compared to the human agent, robot facilitate less fixations towards the targets, but it attracted more attention and allowed the children to show gaze transition and to follow joint attention logic. This results highlight both potential application of LCS analysis on eye-tracking studies and of social robot to intervention.

Yin Song, Longbing Cao, Xuhui Fan et al.

This paper proposes a generative model, the latent Dirichlet hidden Markov models (LDHMM), for characterizing a database of sequential behaviors (sequences). LDHMMs posit that each sequence is generated by an underlying Markov chain process, which are controlled by the corresponding parameters (i.e., the initial state vector, transition matrix and the emission matrix). These sequence-level latent parameters for each sequence are modeled as latent Dirichlet random variables and parameterized by a set of deterministic database-level hyper-parameters. Through this way, we expect to model the sequence in two levels: the database level by deterministic hyper-parameters and the sequence-level by latent parameters. To learn the deterministic hyper-parameters and approximate posteriors of parameters in LDHMMs, we propose an iterative algorithm under the variational EM framework, which consists of E and M steps. We examine two different schemes, the fully-factorized and partially-factorized forms, for the framework, based on different assumptions. We present empirical results of behavior modeling and sequence classification on three real-world data sets, and compare them to other related models. The experimental results prove that the proposed LDHMMs produce better generalization performance in terms of log-likelihood and deliver competitive results on the sequence classification problem.