Calibration Attention: Instance-wise Temperature Scaling for Vision Transformers

Probability calibration is critical when Vision Transformers are deployed in risk-sensitive applications. The standard fix, post-hoc temperature scaling, uses a single global scalar and requires a held-out validation set. We introduce Calibration Attention (CalAttn), a drop-in module that learns an adaptive, per-instance temperature directly from the ViT's CLS token. Across CIFAR-10/100, MNIST, Tiny-ImageNet, and ImageNet-1K, CalAttn reduces calibration error by up to 4x on ViT-224, DeiT, and Swin, while adding under 0.1 percent additional parameters. The learned temperatures cluster tightly around 1.0, in contrast to the large global values used by standard temperature scaling. CalAttn is simple, efficient, and architecture-agnostic, and yields more trustworthy probabilities without sacrificing accuracy. Code: [https://github.com/EagleAdelaide/CalibrationAttention-CalAttn-](https://github.com/EagleAdelaide/CalibrationAttention-CalAttn-)

Rethinking Gating Mechanism in Sparse MoE: Handling Arbitrary Modality Inputs with Confidence-Guided Gate

Effectively managing missing modalities is a fundamental challenge in real-world multimodal learning scenarios, where data incompleteness often results from systematic collection errors or sensor failures. Sparse Mixture-of-Experts (SMoE) architectures have the potential to naturally handle multimodal data, with individual experts specializing in different modalities. However, existing SMoE approach often lacks proper ability to handle missing modality, leading to performance degradation and poor generalization in real-world applications. We propose Conf-SMoE to introduce a two-stage imputation module to handle the missing modality problem for the SMoE architecture and reveal the insight of expert collapse from theoretical analysis with strong empirical evidence. Inspired by our theoretical analysis, Conf-SMoE propose a novel expert gating mechanism by detaching the softmax routing score to task confidence score w.r.t ground truth. This naturally relieves expert collapse without introducing additional load balance loss function. We show that the insights of expert collapse aligns with other gating mechanism such as Gaussian and Laplacian gate. We also evaluate the proposed method on four different real world dataset with three different experiment settings to conduct comprehensive the analysis of Conf-SMoE on modality fusion and resistance to missing modality.

Electricity Cost Minimization for Multi-Workflow Allocation in Geo-Distributed Data Centers

Worldwide, Geo-distributed Data Centers (GDCs) provide computing and storage services for massive workflow applications, resulting in high electricity costs that vary depending on geographical locations and time. How to reduce electricity costs while satisfying the deadline constraints of workflow applications is important in GDCs, which is determined by the execution time of servers, power, and electricity price. Determining the completion time of workflows with different server frequencies can be challenging, especially in scenarios with heterogeneous computing resources in GDCs. Moreover, the electricity price is also different in geographical locations and may change dynamically. To address these challenges, we develop a geo-distributed system architecture and propose an Electricity Cost aware Multiple Workflows Scheduling algorithm (ECMWS) for servers of GDCs with fixed frequency and power. ECMWS comprises four stages, namely workflow sequencing, deadline partitioning, task sequencing, and resource allocation where two graph embedding models and a policy network are constructed to solve the Markov Decision Process (MDP). After statistically calibrating parameters and algorithm components over a comprehensive set of workflow instances, the proposed algorithms are compared with the state-of-the-art methods over two types of workflow instances. The experimental results demonstrate that our proposed algorithm significantly outperforms other algorithms, achieving an improvement of over 15\% while maintaining an acceptable computational time. The source codes are available at https://gitee.com/public-artifacts/ecmws-experiments.

PostHoc FREE Calibrating on Kolmogorov Arnold Networks

Kolmogorov Arnold Networks (KANs) are neural architectures inspired by the Kolmogorov Arnold representation theorem that leverage B Spline parameterizations for flexible, locally adaptive function approximation. Although KANs can capture complex nonlinearities beyond those modeled by standard MultiLayer Perceptrons (MLPs), they frequently exhibit miscalibrated confidence estimates manifesting as overconfidence in dense data regions and underconfidence in sparse areas. In this work, we systematically examine the impact of four critical hyperparameters including Layer Width, Grid Order, Shortcut Function, and Grid Range on the calibration of KANs. Furthermore, we introduce a novel TemperatureScaled Loss (TSL) that integrates a temperature parameter directly into the training objective, dynamically adjusting the predictive distribution during learning. Both theoretical analysis and extensive empirical evaluations on standard benchmarks demonstrate that TSL significantly reduces calibration errors, thereby improving the reliability of probabilistic predictions. Overall, our study provides actionable insights into the design of spline based neural networks and establishes TSL as a robust loss solution for enhancing calibration.

Free-Knots Kolmogorov-Arnold Network: On the Analysis of Spline Knots and Advancing Stability

Kolmogorov-Arnold Neural Networks (KANs) have gained significant attention in the machine learning community. However, their implementation often suffers from poor training stability and heavy trainable parameter. Furthermore, there is limited understanding of the behavior of the learned activation functions derived from B-splines. In this work, we analyze the behavior of KANs through the lens of spline knots and derive the lower and upper bound for the number of knots in B-spline-based KANs. To address existing limitations, we propose a novel Free Knots KAN that enhances the performance of the original KAN while reducing the number of trainable parameters to match the trainable parameter scale of standard Multi-Layer Perceptrons (MLPs). Additionally, we introduce new a training strategy to ensure $C^2$ continuity of the learnable spline, resulting in smoother activation compared to the original KAN and improve the training stability by range expansion. The proposed method is comprehensively evaluated on 8 datasets spanning various domains, including image, text, time series, multimodal, and function approximation tasks. The promising results demonstrates the feasibility of KAN-based network and the effectiveness of proposed method.

Revisited Large Language Model for Time Series Analysis through Modality Alignment

Large Language Models have demonstrated impressive performance in many pivotal web applications such as sensor data analysis. However, since LLMs are not designed for time series tasks, simpler models like linear regressions can often achieve comparable performance with far less complexity. In this study, we perform extensive experiments to assess the effectiveness of applying LLMs to key time series tasks, including forecasting, classification, imputation, and anomaly detection. We compare the performance of LLMs against simpler baseline models, such as single-layer linear models and randomly initialized LLMs. Our results reveal that LLMs offer minimal advantages for these core time series tasks and may even distort the temporal structure of the data. In contrast, simpler models consistently outperform LLMs while requiring far fewer parameters. Furthermore, we analyze existing reprogramming techniques and show, through data manifold analysis, that these methods fail to effectively align time series data with language and display pseudo-alignment behaviour in embedding space. Our findings suggest that the performance of LLM-based methods in time series tasks arises from the intrinsic characteristics and structure of time series data, rather than any meaningful alignment with the language model architecture.

Irregularity-Informed Time Series Analysis: Adaptive Modelling of Spatial and Temporal Dynamics

Irregular Time Series Data (IRTS) has shown increasing prevalence in real-world applications. We observed that IRTS can be divided into two specialized types: Natural Irregular Time Series (NIRTS) and Accidental Irregular Time Series (AIRTS). Various existing methods either ignore the impacts of irregular patterns or statically learn the irregular dynamics of NIRTS and AIRTS data and suffer from limited data availability due to the sparsity of IRTS. We proposed a novel transformer-based framework for general irregular time series data that treats IRTS from four views: Locality, Time, Spatio and Irregularity to motivate the data usage to the highest potential. Moreover, we design a sophisticated irregularity-gate mechanism to adaptively select task-relevant information from irregularity, which improves the generalization ability to various IRTS data. We implement extensive experiments to demonstrate the resistance of our work to three highly missing ratio datasets (88.4\%, 94.9\%, 60\% missing value) and investigate the significance of the irregularity information for both NIRTS and AIRTS by additional ablation study. We release our implementation in https://github.com/IcurasLW/MTSFormer-Irregular_Time_Series.git

Devil in the Tail: A Multi-Modal Framework for Drug-Drug Interaction Prediction in Long Tail Distinction

Drug-drug interaction (DDI) identification is a crucial aspect of pharmacology research. There are many DDI types (hundreds), and they are not evenly distributed with equal chance to occur. Some of the rarely occurred DDI types are often high risk and could be life-critical if overlooked, exemplifying the long-tailed distribution problem. Existing models falter against this distribution challenge and overlook the multi-faceted nature of drugs in DDI prediction. In this paper, a novel multi-modal deep learning-based framework, namely TFDM, is introduced to leverage multiple properties of a drug to achieve DDI classification. The proposed framework fuses multimodal features of drugs, including graph-based, molecular structure, Target and Enzyme, for DDI identification. To tackle the challenge posed by the distribution skewness across categories, a novel loss function called Tailed Focal Loss is introduced, aimed at further enhancing the model performance and address gradient vanishing problem of focal loss in extremely long-tailed dataset. Intensive experiments over 4 challenging long-tailed dataset demonstrate that the TFMD outperforms the most recent SOTA methods in long-tailed DDI classification tasks. The source code is released to reproduce our experiment results: https://github.com/IcurasLW/TFMD_Longtailed_DDI.git

Boosting Certificate Robustness for Time Series Classification with Efficient Self-Ensemble

Recently, the issue of adversarial robustness in the time series domain has garnered significant attention. However, the available defense mechanisms remain limited, with adversarial training being the predominant approach, though it does not provide theoretical guarantees. Randomized Smoothing has emerged as a standout method due to its ability to certify a provable lower bound on robustness radius under $\ell_p$-ball attacks. Recognizing its success, research in the time series domain has started focusing on these aspects. However, existing research predominantly focuses on time series forecasting, or under the non-$\ell_p$ robustness in statistic feature augmentation for time series classification~(TSC). Our review found that Randomized Smoothing performs modestly in TSC, struggling to provide effective assurances on datasets with poor robustness. Therefore, we propose a self-ensemble method to enhance the lower bound of the probability confidence of predicted labels by reducing the variance of classification margins, thereby certifying a larger radius. This approach also addresses the computational overhead issue of Deep Ensemble~(DE) while remaining competitive and, in some cases, outperforming it in terms of robustness. Both theoretical analysis and experimental results validate the effectiveness of our method, demonstrating superior performance in robustness testing compared to baseline approaches.

Rethinking Transformer-based Multi-document Summarization: An Empirical Investigation

The utilization of Transformer-based models prospers the growth of multi-document summarization (MDS). Given the huge impact and widespread adoption of Transformer-based models in various natural language processing tasks, investigating their performance and behaviors in the context of MDS becomes crucial for advancing the field and enhancing the quality of summary. To thoroughly examine the behaviours of Transformer-based MDS models, this paper presents five empirical studies on (1) measuring the impact of document boundary separators quantitatively; (2) exploring the effectiveness of different mainstream Transformer structures; (3) examining the sensitivity of the encoder and decoder; (4) discussing different training strategies; and (5) discovering the repetition in a summary generation. The experimental results on prevalent MDS datasets and eleven evaluation metrics show the influence of document boundary separators, the granularity of different level features and different model training strategies. The results also reveal that the decoder exhibits greater sensitivity to noises compared to the encoder. This underscores the important role played by the decoder, suggesting a potential direction for future research in MDS. Furthermore, the experimental results indicate that the repetition problem in the generated summaries has correlations with the high uncertainty scores.