Uday Singh Saini

William Shiao, Uday Singh Saini, Yozen Liu et al.

Self-supervised learning on graphs has made large strides in achieving great performance in various downstream tasks. However, many state-of-the-art methods suffer from a number of impediments, which prevent them from realizing their full potential. For instance, contrastive methods typically require negative sampling, which is often computationally costly. While non-contrastive methods avoid this expensive step, most existing methods either rely on overly complex architectures or dataset-specific augmentations. In this paper, we ask: Can we borrow from classical unsupervised machine learning literature in order to overcome those obstacles? Guided by our key insight that the goal of distance-based clustering closely resembles that of contrastive learning: both attempt to pull representations of similar items together and dissimilar items apart. As a result, we propose CARL-G - a novel clustering-based framework for graph representation learning that uses a loss inspired by Cluster Validation Indices (CVIs), i.e., internal measures of cluster quality (no ground truth required). CARL-G is adaptable to different clustering methods and CVIs, and we show that with the right choice of clustering method and CVI, CARL-G outperforms node classification baselines on 4/5 datasets with up to a 79x training speedup compared to the best-performing baseline. CARL-G also performs at par or better than baselines in node clustering and similarity search tasks, training up to 1,500x faster than the best-performing baseline. Finally, we also provide theoretical foundations for the use of CVI-inspired losses in graph representation learning.

Chin-Chia Michael Yeh, Audrey Der, Uday Singh Saini et al.

The Matrix Profile (MP), a versatile tool for time series data mining, has been shown effective in time series anomaly detection (TSAD). This paper delves into the problem of anomaly detection in multidimensional time series, a common occurrence in real-world applications. For instance, in a manufacturing factory, multiple sensors installed across the site collect time-varying data for analysis. The Matrix Profile, named for its role in profiling the matrix storing pairwise distance between subsequences of univariate time series, becomes complex in multidimensional scenarios. If the input univariate time series has n subsequences, the pairwise distance matrix is a n x n matrix. In a multidimensional time series with d dimensions, the pairwise distance information must be stored in a n x n x d tensor. In this paper, we first analyze different strategies for condensing this tensor into a profile vector. We then investigate the potential of extending the MP to efficiently find k-nearest neighbors for anomaly detection. Finally, we benchmark the multidimensional MP against 19 baseline methods on 119 multidimensional TSAD datasets. The experiments covers three learning setups: unsupervised, supervised, and semi-supervised. MP is the only method that consistently delivers high performance across all setups.

Yingtong Dou, Zhimeng Jiang, Tianyi Zhang et al.

We present TransactionGPT (TGPT), a foundation model for consumer transaction data within one of world's largest payment networks. TGPT is designed to understand and generate transaction trajectories while simultaneously supporting a variety of downstream prediction and classification tasks. We introduce a novel 3D-Transformer architecture specifically tailored for capturing the complex dynamics in payment transaction data. This architecture incorporates design innovations that enhance modality fusion and computational efficiency, while seamlessly enabling joint optimization with downstream objectives. Trained on billion-scale real-world transactions, TGPT significantly improves downstream classification performance against a competitive production model and exhibits advantages over baselines in generating future transactions. We conduct extensive empirical evaluations utilizing a diverse collection of company transaction datasets spanning multiple downstream tasks, thereby enabling a thorough assessment of TGPT's effectiveness and efficiency in comparison to established methodologies. Furthermore, we examine the incorporation of LLM-derived embeddings within TGPT and benchmark its performance against fine-tuned LLMs, demonstrating that TGPT achieves superior predictive accuracy as well as faster training and inference. We anticipate that the architectural innovations and practical guidelines from this work will advance foundation models for transaction-like data and catalyze future research in this emerging field.

Chin-Chia Michael Yeh, Yujie Fan, Xin Dai et al.

Spatial-temporal forecasting systems play a crucial role in addressing numerous real-world challenges. In this paper, we investigate the potential of addressing spatial-temporal forecasting problems using general time series forecasting models, i.e., models that do not leverage the spatial relationships among the nodes. We propose a all-Multi-Layer Perceptron (all-MLP) time series forecasting architecture called RPMixer. The all-MLP architecture was chosen due to its recent success in time series forecasting benchmarks. Furthermore, our method capitalizes on the ensemble-like behavior of deep neural networks, where each individual block within the network behaves like a base learner in an ensemble model, particularly when identity mapping residual connections are incorporated. By integrating random projection layers into our model, we increase the diversity among the blocks' outputs, thereby improving the overall performance of the network. Extensive experiments conducted on the largest spatial-temporal forecasting benchmark datasets demonstrate that the proposed method outperforms alternative methods, including both spatial-temporal graph models and general forecasting models.

Chin-Chia Michael Yeh, Vivian Lai, Uday Singh Saini et al.

Large Language Model (LLM) powered agents have emerged as effective planners for Automated Machine Learning (AutoML) systems. While most existing AutoML approaches focus on automating feature engineering and model architecture search, recent studies in time series forecasting suggest that lightweight models can often achieve state-of-the-art performance. This observation led us to explore improving data quality, rather than model architecture, as a potentially fruitful direction for AutoML on time series data. We propose DCATS, a Data-Centric Agent for Time Series. DCATS leverages metadata accompanying time series to clean data while optimizing forecasting performance. We evaluated DCATS using four time series forecasting models on a large-scale traffic volume forecasting dataset. Results demonstrate that DCATS achieves an average 6% error reduction across all tested models and time horizons, highlighting the potential of data-centric approaches in AutoML for time series forecasting.

Chin-Chia Michael Yeh, Uday Singh Saini, Junpeng Wang et al.

The ubiquity of time series data creates a strong demand for general-purpose foundation models, yet developing them for classification remains a significant challenge, largely due to the high cost of labeled data. Foundation models capable of in-context learning (ICL) offer a powerful solution, adapting to new tasks with minimal examples and reducing the need for extensive retraining. However, prior work on large-scale time series models has predominantly focused on forecasting, leaving a critical gap for versatile, fine-tuning-free classification. To address this, we introduce TiCT (Time-series in-Context Transformer), a transformer-based model pre-trained exclusively on synthetic data to perform in-context classification. We make two primary technical contributions: 1) a novel architecture featuring a scalable bit-based label encoding and a special output attention mechanism to handle an arbitrary number of classes; and 2) a synthetic pre-training framework that combines a Mixup-inspired process with data augmentation to foster generalization and noise invariance. Extensive evaluations on the UCR Archive show that TiCT achieves competitive performance against state-of-the-art supervised methods. Crucially, this is accomplished using only in-context examples at inference time, without updating a single model weight.

Chin-Chia Michael Yeh, Uday Singh Saini, Xin Dai et al.

Payment networks form the backbone of modern commerce, generating high volumes of transaction records from daily activities. Properly modeling this data can enable applications such as abnormal behavior detection and consumer-level insights for hyper-personalized experiences, ultimately improving people's lives. In this paper, we present TREASURE, TRansformer Engine As Scalable Universal transaction Representation Encoder, a multipurpose transformer-based foundation model specifically designed for transaction data. The model simultaneously captures both consumer behavior and payment network signals (such as response codes and system flags), providing comprehensive information necessary for applications like accurate recommendation systems and abnormal behavior detection. Verified with industry-grade datasets, TREASURE features three key capabilities: 1) an input module with dedicated sub-modules for static and dynamic attributes, enabling more efficient training and inference; 2) an efficient and effective training paradigm for predicting high-cardinality categorical attributes; and 3) demonstrated effectiveness as both a standalone model that increases abnormal behavior detection performance by 111% over production systems and an embedding provider that enhances recommendation models by 104%. We present key insights from extensive ablation studies, benchmarks against production models, and case studies, highlighting valuable knowledge gained from developing TREASURE.

Jiarui Sun, Chin-Chia Michael Yeh, Yujie Fan et al.

Time series forecasting at scale presents significant challenges for modern prediction systems, particularly when dealing with large sets of synchronized series, such as in a global payment network. In such systems, three key challenges must be overcome for accurate and scalable predictions: 1) emergence of new entities, 2) disappearance of existing entities, and 3) the large number of entities present in the data. The recently proposed Inverted Transformer (iTransformer) architecture has shown promising results by effectively handling variable entities. However, its practical application in large-scale settings is limited by quadratic time and space complexity ($O(N^2)$) with respect to the number of entities $N$. In this paper, we introduce EiFormer, an improved inverted transformer architecture that maintains the adaptive capabilities of iTransformer while reducing computational complexity to linear scale ($O(N)$). Our key innovation lies in restructuring the attention mechanism to eliminate redundant computations without sacrificing model expressiveness. Additionally, we incorporate a random projection mechanism that not only enhances efficiency but also improves prediction accuracy through better feature representation. Extensive experiments on the public LargeST benchmark dataset and a proprietary large-scale time series dataset demonstrate that EiFormer significantly outperforms existing methods in both computational efficiency and forecasting accuracy. Our approach enables practical deployment of transformer-based forecasting in industrial applications where handling time series at scale is essential.

Junpeng Wang, Chin-Chia Michael Yeh, Uday Singh Saini et al.

State space models (SSMs) have emerged as an efficient alternative to transformer-based models, offering linear complexity that scales better than transformers. One of the latest advances in SSMs, Mamba, introduces a selective scan mechanism that assigns trainable weights to input tokens, effectively mimicking the attention mechanism. Mamba has also been successfully extended to the vision domain by decomposing 2D images into smaller patches and arranging them as 1D sequences. However, it remains unclear how these patches interact with (or attend to) each other in relation to their original 2D spatial location. Additionally, the order used to arrange the patches into a sequence also significantly impacts their attention distribution. To better understand the attention between patches and explore the attention patterns, we introduce a visual analytics tool specifically designed for vision-based Mamba models. This tool enables a deeper understanding of how attention is distributed across patches in different Mamba blocks and how it evolves throughout a Mamba model. Using the tool, we also investigate the impact of different patch-ordering strategies on the learned attention, offering further insights into the model's behavior.

Chin-Chia Michael Yeh, Xiran Fan, Zhimeng Jiang et al.

Spatio-temporal data, prevalent in real-world applications such as traffic monitoring, financial transactions, and ride-share demands, represents a specialized case of multivariate time series characterized by high dimensionality. This high dimensionality necessitates computationally efficient models and benefits from applying univariate forecasting approaches through channel-independent strategies. SparseTSF, a recently proposed competitive univariate forecasting model, leverages periodicity to achieve compactness by focusing on cross-period dynamics, extending the Pareto frontier in terms of model size and predictive performance. However, it underperforms on spatio-temporal data due to limited capture of intra-period temporal dependencies. To address this limitation, we propose UltraSTF, which integrates a cross-period forecasting component with an ultra-compact shape bank component. Our model efficiently captures recurring patterns in time series using the attention mechanism of the shape bank component, significantly enhancing its capability to learn intra-period dynamics. UltraSTF achieves state-of-the-art performance on the LargeST benchmark while utilizing fewer than 0.2% of the parameters required by the second-best methods, thereby further extending the Pareto frontier of existing approaches.

Prince Aboagye, Yan Zheng, Junpeng Wang et al.

The emergence of pre-trained models has significantly impacted Natural Language Processing (NLP) and Computer Vision to relational datasets. Traditionally, these models are assessed through fine-tuned downstream tasks. However, this raises the question of how to evaluate these models more efficiently and more effectively. In this study, we explore a novel approach where we leverage the meta-features associated with each entity as a source of worldly knowledge and employ entity representations from the models. We propose using the consistency between these representations and the meta-features as a metric for evaluating pre-trained models. Our method's effectiveness is demonstrated across various domains, including models with relational datasets, large language models and image models.

Uday Singh Saini, Pravallika Devineni, Evangelos E. Papalexakis

Tools to analyze the latent space of deep neural networks provide a step towards better understanding them. In this work, we motivate sparse subspace clustering (SSC) with an aim to learn affinity graphs from the latent structure of a given neural network layer trained over a set of inputs. We then use tools from Community Detection to quantify structures present in the input. These experiments reveal that as we go deeper in a network, inputs tend to have an increasing affinity to other inputs of the same class. Subsequently, we utilise matrix similarity measures to perform layer-wise comparisons between affinity graphs. In doing so we first demonstrate that when comparing a given layer currently under training to its final state, the shallower the layer of the network, the quicker it is to converge than the deeper layers. When performing a pairwise analysis of the entire network architecture, we observe that, as the network increases in size, it reorganises from a state where each layer is moderately similar to its neighbours, to a state where layers within a block have high similarity than to layers in other blocks. Finally, we analyze the learned affinity graphs of the final convolutional layer of the network and demonstrate how an input's local neighbourhood affects its classification by the network.

Uday Singh Saini, Evangelos E. Papalexakis

How can we discover and succinctly summarize the concepts that a neural network has learned? Such a task is of great importance in applications of networks in areas of inference that involve classification, like medical diagnosis based on fMRI/x-ray etc. In this work, we propose a framework to categorize the concepts a network learns based on the way it clusters a set of input examples, clusters neurons based on the examples they activate for, and input features all in the same latent space. This framework is unsupervised and can work without any labels for input features, it only needs access to internal activations of the network for each input example, thereby making it widely applicable. We extensively evaluate the proposed method and demonstrate that it produces human-understandable and coherent concepts that a ResNet-18 has learned on the CIFAR-100 dataset.

Uday Singh Saini, Evangelos E. Papalexakis

Despite their increasing popularity and success in a variety of supervised learning problems, deep neural networks are extremely hard to interpret and debug: Given and already trained Deep Neural Net, and a set of test inputs, how can we gain insight into how those inputs interact with different layers of the neural network? Furthermore, can we characterize a given deep neural network based on it's observed behavior on different inputs? In this paper we propose a novel factorization based approach on understanding how different deep neural networks operate. In our preliminary results, we identify fascinating patterns that link the factorization rank (typically used as a measure of interestingness in unsupervised data analysis) with how well or poorly the deep network has been trained. Finally, our proposed approach can help provide visual insights on how high-level. interpretable patterns of the network's input behave inside the hidden layers of the deep network.

Madhav Nimishakavi, Uday Singh Saini, Partha Talukdar

Given a set of documents from a specific domain (e.g., medical research journals), how do we automatically build a Knowledge Graph (KG) for that domain? Automatic identification of relations and their schemas, i.e., type signature of arguments of relations (e.g., undergo(Patient, Surgery)), is an important first step towards this goal. We refer to this problem as Relation Schema Induction (RSI). In this paper, we propose Schema Induction using Coupled Tensor Factorization (SICTF), a novel tensor factorization method for relation schema induction. SICTF factorizes Open Information Extraction (OpenIE) triples extracted from a domain corpus along with additional side information in a principled way to induce relation schemas. To the best of our knowledge, this is the first application of tensor factorization for the RSI problem. Through extensive experiments on multiple real-world datasets, we find that SICTF is not only more accurate than state-of-the-art baselines, but also significantly faster (about 14x faster).