Recent advances in causal machine learning introduced a plethora of new causal discovery and causal inference models to tackle decision support problems. Yet, these models exhibit different performance when they train on different data, and even different hardware/software platforms, making it challenging for users to select the appropriate setup pertinent to their specific problem instance. The situation is complicated by the fact that, until recently, the field lacked a unified, publicly available, and configurable platform that supports all major causal inference tasks, including causal discovery, causal effect estimation, and causal inference. CausalBench is a comprehensive benchmarking tool for causal machine learning that facilitates accurate and reproducible benchmarking of causal models across metrics and deployment contexts and helps users to select the most appropriate set up (such as hyper-parameter configuration) for the specific problem setting. This tutorial is intended to familiarize attendees from diverse backgrounds, who are interested in causal learning models and with the capabilities of CausalBench. The tutorial begins with an introduction to ''causality'' and causal machine learning, and then provides hands-on experience with CausalBench to equip attendees with the knowledge necessary to utilize CausalBench for their causal learning problems.
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Feature engineering remains a crucial technique for improving the performance of models trained on tabular data. Unlike computer vision and natural language processing, where deep learning models automatically extract hierarchical features from raw data, the most accurate tabular models, such as gradient boosted decision trees, still benefit significantly from manually crafted features. This is demonstrated in Team NVIDIA's many first-place data science competition victories. Fast experimentation in feature engineering is essential to quickly discover the most valuable features that improve model performance. In this tutorial, we use NVIDIA cuDF and cuML libraries to accelerate the experimentation pipeline on GPU, allowing us to search for and engineer new features more rapidly and build more accurate models faster. First, participants will be introduced to specific feature engineering techniques: normalization, binning, count encoding, and target encoding. These techniques will be taught using the Amazon product review dataset that contains product reviews from May 1996 through July 2014. Specifically, we will use the electronic category of this dataset that contains 1,689,188 reviews. Next, they will train gradient boosted decision tree models and support vector classification models with and without feature engineering. Participants will learn how engineered features can significantly boost the accuracy of ML models, and by the end of the tutorial, they will gain practical techniques that can be immediately applied to their real-world use cases.
Model extraction attacks pose significant security threats to deployed language models, potentially compromising intellectual property and user privacy. This survey provides a comprehensive taxonomy of LLM-specific extraction attacks and defenses, categorizing attacks into functionality extraction, training data extraction, and prompt-targeted attacks. We analyze various attack methodologies including API-based knowledge distillation, direct querying, parameter recovery, and prompt stealing techniques that exploit transformer architectures. We then examine defense mechanisms organized into model protection, data privacy protection, and prompt-targeted strategies, evaluating their effectiveness across different deployment scenarios. We propose specialized metrics for evaluating both attack effectiveness and defense performance, addressing the specific challenges of generative language models. Through our analysis, we identify critical limitations in current approaches and propose promising research directions, including integrated attack methodologies and adaptive defense mechanisms that balance security with model utility. This work serves NLP researchers, ML engineers, and security professionals seeking to protect language models in production environments.
With the rapid evolution of Large Language Models (LLMs), LLM-based agents and Multi-agent Systems (MAS) have significantly expanded the capabilities of LLM ecosystems. This evolution stems from empowering LLMs with additional modules such as memory, tools, environment, and even other agents. However, this advancement has also introduced more complex issues of trustworthiness, which previous research focusing solely on LLMs could not cover. In this survey, we propose the TrustAgent framework, a comprehensive study on the trustworthiness of agents, characterized by modular taxonomy, multi-dimensional connotations, and technical implementation. By thoroughly investigating and summarizing newly emerged attacks, defenses, and evaluation methods for agents and MAS, we extend the concept of Trustworthy LLM to the emerging paradigm of Trustworthy Agent. In TrustAgent, we begin by deconstructing and introducing various components of the Agent and MAS. Then, we categorize their trustworthiness into intrinsic (brain, memory, and tool) and extrinsic (user, agent, and environment) aspects. Subsequently, we delineate the multifaceted meanings of trustworthiness and elaborate on the implementation techniques of existing research related to these internal and external modules. Finally, we present our insights and outlook on this domain, aiming to provide guidance for future endeavors. For easy reference, we categorize all the studies mentioned in this survey according to our taxonomy, available at: https://github.com/Ymm-cll/TrustAgent.
Recently, frequency transformation (FT) has been increasingly incorporated into deep learning models to significantly enhance state-of-the-art accuracy and efficiency in time series analysis. The advantages of FT, such as high efficiency and a global view, have been rapidly explored and exploited in various time series tasks and applications, demonstrating the promising potential of FT as a new deep learning paradigm for time series analysis. Despite the growing attention and the proliferation of research in this emerging field, there is currently a lack of a systematic review and in-depth analysis of deep learning-based time series models with FT. It is also unclear why FT can enhance time series analysis and what its limitations are in the field. To address these gaps, we present a comprehensive review that systematically investigates and summarizes the recent research advancements in deep learning-based time series analysis with FT. Specifically, we explore the primary approaches used in current models that incorporate FT, the types of neural networks that leverage FT, and the representative FT-equipped models in deep time series analysis. We propose a novel taxonomy to categorize the existing methods in this field, providing a structured overview of the diverse approaches employed in incorporating FT into deep learning models for time series analysis. Finally, we highlight the advantages and limitations of FT for time series modeling and identify potential future research directions that can further contribute to the community of time series analysis.
A Survey on Unifying Large Language Models and Knowledge Graphs for Biomedicine and Healthcare
PDF ↗In recent years, the landscape of digital biomedicine and healthcare has been reshaped due to the disruptive breakthroughs in AI-facilitated by tremendous data and high-performance computers, large language models (LLMs) have transformed information technology from accessing data to performing analytical tasks. While demonstrating unprecedented capabilities, LLMs have been found unreliable in tasks requiring factual knowledge and rigorous reasoning. Biomedicine and healthcare, as an important vertical domain rapidly benefitting from progress in AI, necessitates strict requirements on the accuracy, controllability, and interpretability of analytical models, posing critical challenges for LLMs. Despite recent studies addressing the hallucination problem of LLMs, research on empowering LLMs with the ability to plan, reason, and ground with explicit knowledge has also started to prosper, especially in the biomedicine and healthcare domain. On the other hand, biomedical data are enormous and notoriously complex, coming from various sources (e.g., biomedical knowledge bases, online literature, and hospitals) and bearing various modalities (e.g., tables, texts, images and time-series). Healthcare professionals have spent decades collecting, cleaning, and curating various types of data. The processes are extremely costly, producing various datasets with different data schemas, coding systems, and quality standards, many privately owned by the creators, making their integrative analysis and utilization through unified AI techniques still rather challenging. The generalizability of LLMs across different types of data endow them strong promises in automating the processing of large-scale complex healthcare data such as into unified knowledge graphs (KGs). Our goal in this survey is to systematically investigate and summarize recent studies on the unification of LLMs and KGs, towards fully utilizing the value of complex data, unleashing the power of generative AI, and expediting next-generation AI for biomedicine and healthcare applications.
Foundation models have revolutionized machine learning by enabling general-purpose reasoning across diverse tasks and domains. These models, pretrained on large-scale data, demonstrate strong adaptability with minimal task-specific supervision, leading to breakthroughs in natural language processing and computer vision. Inspired by this paradigm, Graph Foundation Models (GFMs) have emerged to extend the benefits of foundation models to graph-structured data, which is pretrained on massive graphs and can be fast adapted to different downstream tasks. In this paper, we provide a comprehensive survey of the state-of-the-art techniques of graph foundation models. In particular, we (1) formally categorize the challenges in designing graph foundation models; (2) comprehensively review the existing and recent advances of graph foundation models; (3) extend the graph foundation models in real-world problems; and (4) elucidate open questions and future research directions. Our systematic review summarizes representative models, highlights key design principles, and provides comparative analyses. This survey introduces major topics within foundation models and offers a guide to a new frontier of graph learning. Our extended survey is available at https://arxiv.org/abs/2505.15116.
A Survey on Small Language Models in the Era of Large Language Models: Architecture, Capabilities, and Trustworthiness
PDF ↗Large language models (LLMs) based on Transformer architecture are powerful but face challenges with deployment, inference latency, and costly fine-tuning. These limitations highlight the emerging potential of small language models (SLMs), which can either replace LLMs through innovative architectures and technologies, or assist them as efficient proxy or reward models. Emerging architectures such as Mamba and xLSTM address the quadratic scaling of inference with window length in Transformers by enabling linear scaling. To maximize SLM performance, test-time compute scaling strategies reduce the performance gap with LLMs by allocating extra compute budget during test time. Beyond standalone usage, SLMs could also assist in LLMs via weak-to-strong learning, proxy tuning, and guarding, fostering secure and efficient LLM deployment. Lastly, the trustworthiness of SLMs remains a critical yet underexplored research area. However, there is a lack of tutorials on cutting-edge SLM technologies, prompting us to conduct one.
Foundation Models (FMs) such as Large Language Models (LLMs) are reshaping the software industry by enabling FMware, systems that integrate these FMs as core components. In this KDD 2025 tutorial, we present a comprehensive exploration of FMware that combines a curated catalogue of challenges with real-world production concerns. We first discuss the state of research and practice in building FMware. We further examine the difficulties in selecting suitable models, aligning high-quality domain-specific data, engineering robust prompts, and orchestrating autonomous agents. We then address the complex journey from impressive demos to production-ready systems by outlining issues in system testing, optimization, deployment, and integration with legacy software. Drawing on our industrial experience and recent research in the area, we provide actionable insights and a technology roadmap for overcoming these challenges. Attendees will gain practical strategies to enable the creation of trustworthy FMware in the evolving technology landscape.
Recent advances in data collection technology, accompanied by the ever-rising volume and velocity of streaming data, underscore the vital need for time series analytics. In this regard, time-series anomaly detection has been an important activity, entailing various applications in fields such as cyber security, financial markets, law enforcement, and health care. While traditional literature on anomaly detection is centered on statistical measures, the increasing number of machine learning algorithms in recent years call for a structured, general characterization of the research methods for time-series anomaly detection. In this paper, we present a process-centric taxonomy for time-series anomaly detection methods, systematically categorizing traditional statistical approaches and contemporary machine learning techniques. Beyond this taxonomy, we conduct a meta-analysis of the existing literature to identify broad research trends. Given the absence of a one-size-fits-all anomaly detector, we also introduce emerging trends for time-series anomaly detection. Furthermore, we review commonly used evaluation measures and benchmarks, followed by an analysis of benchmark results to provide insights into the impact of different design choices on model performance. Through these contributions, we aim to provide a holistic perspective on time-series anomaly detection and highlight promising avenues for future investigation.
With the advancement of web techniques, they have significantly revolutionized various aspects of people's lives. Despite the importance of the web, many tasks performed on it are repetitive and time-consuming, negatively impacting the overall quality of life. To efficiently handle these tedious daily tasks, one of the most promising approaches is to advance autonomous agents to incorporate human-like intelligence based on Artificial Intelligence (AI) techniques, referred to as AI Agents. AI Agents offer significant advantages in handling such tasks since they can operate continuously without fatigue or performance degradation. Therefore, leveraging AI Agents - termed WebAgents in the context of web - to automatically assist people in handling tedious daily tasks can dramatically enhance productivity and efficiency. Recently, Large Foundation Models (LFMs) containing billions of parameters have exhibited human-like language understanding and reasoning capabilities, showing proficiency in performing various complex tasks. This naturally raises the question: 'Can LFMs be utilized to develop powerful AI Agents that automatically handle web tasks, providing significant convenience to users?' To fully explore the potential of LFMs, extensive research has emerged on WebAgents designed to complete daily web tasks according to user instructions, significantly enhancing the convenience of daily human life. In this survey, we comprehensively review existing research studies on WebAgents across three key aspects: architectures, training, and trustworthiness. Additionally, several promising directions for future research are explored to provide deeper insights.
The rise of LLM-based agents has opened new frontiers in AI applications, yet evaluating these agents remains a complex and underdeveloped area. This survey provides an in-depth overview of the emerging field of LLM agent evaluation, introducing a two-dimensional taxonomy that organizes existing work along (1) evaluation objectives-what to evaluate, such as agent behavior, capabilities, reliability, and safety-and (2) evaluation process-how to evaluate, including interaction modes, datasets and benchmarks, metric computation methods, and tooling. In addition to taxonomy, we highlight enterprise-specific challenges, such as role-based access to data, the need for reliability guarantees, dynamic and long-horizon interactions, and compliance, which are often overlooked in current research. We also identify the future research directions, including holistic, more realistic, and scalable evaluation. This work aims to bring clarity to the fragmented landscape of agent evaluation and provide a framework for systematic assessment, enabling researchers and practitioners to evaluate LLM agents for real-world deployment.
Graph ODEs and Beyond: A Comprehensive Survey on Integrating Differential Equations with Graph Neural Networks
PDF ↗Graph Neural Networks (GNNs) and differential equations (DEs) are two rapidly advancing areas of research that have shown remarkable synergy in recent years. GNNs have emerged as powerful tools for learning on graph-structured data, while differential equations provide a principled framework for modeling continuous dynamics across time and space. The intersection of these fields has led to innovative approaches that leverage the strengths of both, enabling applications in physics-informed learning, spatiotemporal modeling, and scientific computing. This survey aims to provide a comprehensive overview of the burgeoning research at the intersection of GNNs and DEs. We will categorize existing methods, discuss their underlying principles, and highlight their applications across domains such as molecular modeling, traffic prediction, and epidemic spreading. Furthermore, we identify open challenges and outline future research directions to advance this interdisciplinary field. A comprehensive paper list is provided at https://github.com/Emory-Melody/Awesome-Graph-NDEs.
Uncertainty quantification (UQ) enhances the reliability of Large Language Models (LLMs) by estimating confidence in outputs, enabling risk mitigation and selective prediction. However, traditional UQ methods struggle with LLMs due to computational constraints and decoding inconsistencies. Moreover, LLMs introduce unique uncertainty sources, such as input ambiguity, reasoning path divergence, and decoding stochasticity, that extend beyond classical aleatoric and epistemic uncertainty. To address this, we introduce a new taxonomy that categorizes UQ methods based on computational efficiency and uncertainty dimensions, including input, reasoning, parameter, and prediction uncertainty. We evaluate existing techniques, summarize existing benchmarks and metrics for UQ, assess their real-world applicability, and identify open challenges, emphasizing the need for scalable, interpretable, and robust UQ approaches to enhance LLM reliability.
Due to exceptional reasoning and understanding abilities, the Large Language Model (LLM) has revolutionized the pattern of many fields, including recommender systems (RS). There has been a handful of research that focuses on empowering the RS by LLM. Recently, considering the latency and memory costs in real-world applications, LLM-Enhanced RS (LLMERS) is highlighted. This direction pushes the LLM into the online system with a large step by eliminating the utilization of LLM during inference. As a cutting-edge field, there is a clear need for a comprehensive survey to summarize this direction. In this survey, we systematically investigate the most up-to-date works of LLM-enhanced RS to boost this direction. Based on the component of an RS model that the LLM aims to augment, the basic taxonomy includes Knowledge Enhancement, Interaction Enhancement and Model Enhancement. Additionally, we identify several promising research directions. To facilitate access to the surveyed papers, we release a repository.
Data heterogeneity plays a pivotal role in determining the performance of machine learning (ML) systems. Traditional algorithms, which are typically designed to optimize average performance, often overlook the intrinsic diversity within datasets. This oversight can lead to a myriad of issues, including unreliable decision-making, inadequate generalization across different domains, unfair outcomes, and false scientific inferences. Hence, a nuanced approach to modeling data heterogeneity is essential for the development of dependable, data-driven systems. In this survey paper, we present a thorough exploration of heterogeneity-aware machine learning, a paradigm that systematically integrates considerations of data heterogeneity throughout the entire ML pipeline-from data collection and model training to model evaluation and deployment. By applying this approach to a variety of critical fields, including healthcare, agriculture, finance, and recommendation systems, we demonstrate the substantial benefits and potential of heterogeneity-aware ML. These applications underscore how a deeper understanding of data diversity can enhance model robustness, fairness, and reliability and help model diagnosis and improvements. Moreover, we delve into future directions and provide research opportunities for the whole data mining community, aiming to promote the development of heterogeneity-aware ML.
Recommender systems (RSs) have become essential for alleviating information overload and matching users with relevant content. Traditionally, RSs have focused on personalized content distribution, leveraging user interaction data and various features to rank and recommend existing items. Recently, diffusion models (DMs) have emerged as powerful generative paradigms, introducing new possibilities for RSs to not only enhance their performance for content distribution but also extend their capability boundaries to personalized content creation. On the one hand, DMs enhance the recommendation performance by mitigating challenges such as sparse user-item interactions, weak latent representations, and noisy data. On the other hand, DMs enable personalized content creation, transforming RSs from passive distributors into active generators of user-specific media assets, such as customized images, posters, and multimedia content. Given such a transformative paradigm shift, this survey provides a comprehensive review of the integration of diffusion models into recommender systems, exploring key methodologies, application scenarios, and their impact on recommendation effectiveness, diversity, and personalization. We categorize DM-based recommendation paradigms into content distribution and content creation, compare integration strategies, and discuss open challenges and future directions. By bridging the gap between diffusion models and recommender systems, this work aims to guide researchers and practitioners in developing the next generation of generative AI-powered recommendation solutions.
Spatio-Temporal (ST) data science, which includes sensing, managing, and mining large-scale data across space and time, is fundamental to understanding complex systems in domains such as urban computing, climate science, and intelligent transportation. Traditional deep learning approaches have significantly advanced this field, particularly in the stage of ST data mining. However, these models remain task-specific and often require extensive labeled data. Inspired by the success of Foundation Models (FM), especially large language models, researchers have begun exploring the concept of Spatio-Temporal Foundation Models (STFMs) to enhance adaptability and generalization across diverse ST tasks. Unlike prior architectures, STFMs empower the entire workflow of ST data science, ranging from data sensing, management, to mining, thereby offering a more holistic and scalable approach. Despite rapid progress, a systematic study of STFMs for ST data science remains lacking. This survey aims to provide a comprehensive review of STFMs, categorizing existing methodologies and identifying key research directions to advance ST general intelligence.
Finding Repeated Structures in Time Series: Algorithms and Applications: A Unifying View of Time Series Motifs/Shapelets/Chains and Similar Primitives
PDF ↗Repeated structures in time series (time series motifs) are interesting in their own right and are often used in downstream algorithms for tasks as diverse as classification, clustering, rule-discovery, segmentation, summarization, compression and anomaly detection. If a structure is repeated, that hints at some mechanism of conservation, and the discovery of conserved structure is one of the most basic tools/goals of science. In this survey (which is a companion to a tutorial) I show the two key ideas needed to do successful time series motif discovery. First, making a computationally hard problem tractable; by the use of anytime algorithms, contract algorithms and specialist hardware. I will further review work on how to obtain more meaningful results by considering additional constraints on the returned patterns. For example, class conditional motifs (i.e. shapelets), motifs with a drift (i.e. time series chains), motifs that exist in two or more time series (motif-joins, consensus motifs), range motifs, KNN motifs etc. The companion tutorial is illustrated with novel interesting examples from science, industry, entertainment and medicine. Moreover, the tutorial slides will contain code snippets and a data archive that will allow the community to reproduce all the results and then generalize them to their own domain of interest.
Multi-modal time series analysis has recently emerged as a prominent research area, driven by the increasing availability of diverse data modalities, such as text, images, and structured tabular data from real-world sources. However, effective analysis of multi-modal time series is hindered by data heterogeneity, modality gap, misalignment, and inherent noise. Recent advancements in multi-modal time series methods have exploited the multi-modal context via cross-modal interactions based on deep learning methods, significantly enhancing various downstream tasks. In this tutorial and survey, we present a systematic and up-to-date overview of multi-modal time series datasets and methods. We first state the existing challenges of multi-modal time series analysis and our motivations, with a brief introduction of preliminaries. Then, we summarize the general pipeline and categorize existing methods through a unified cross-modal interaction framework encompassing fusion, alignment, and transference at different levels (i.e., input, intermediate, output), where key concepts and ideas are highlighted. We also discuss the real-world applications of multi-modal analysis for both standard and spatial time series, tailored to general and specific domains. Finally, we discuss future research directions to help practitioners explore and exploit multi-modal time series. The up-to-date resources are provided in the GitHub repository. https://github.com/UConn-DSIS/Multi-modal-Time-Series-Analysis.