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Mar 12

A Pretrainer's Guide to Training Data: Measuring the Effects of Data Age, Domain Coverage, Quality, & Toxicity

Pretraining is the preliminary and fundamental step in developing capable language models (LM). Despite this, pretraining data design is critically under-documented and often guided by empirically unsupported intuitions. To address this, we pretrain 28 1.5B parameter decoder-only models, training on data curated (1) at different times, (2) with varying toxicity and quality filters, and (3) with different domain compositions. First, we quantify the effect of pretraining data age. A temporal shift between evaluation data and pretraining data leads to performance degradation, which is not overcome by finetuning. Second, we explore the effect of quality and toxicity filters, showing a trade-off between performance on standard benchmarks and risk of toxic generations. Our findings indicate there does not exist a one-size-fits-all solution to filtering training data. We also find that the effects of different types of filtering are not predictable from text domain characteristics. Lastly, we empirically validate that the inclusion of heterogeneous data sources, like books and web, is broadly beneficial and warrants greater prioritization. These findings constitute the largest set of experiments to validate, quantify, and expose many undocumented intuitions about text pretraining, which we hope will help support more informed data-centric decisions in LM development.

Double Machine Learning meets Panel Data -- Promises, Pitfalls, and Potential Solutions

Estimating causal effect using machine learning (ML) algorithms can help to relax functional form assumptions if used within appropriate frameworks. However, most of these frameworks assume settings with cross-sectional data, whereas researchers often have access to panel data, which in traditional methods helps to deal with unobserved heterogeneity between units. In this paper, we explore how we can adapt double/debiased machine learning (DML) (Chernozhukov et al., 2018) for panel data in the presence of unobserved heterogeneity. This adaptation is challenging because DML's cross-fitting procedure assumes independent data and the unobserved heterogeneity is not necessarily additively separable in settings with nonlinear observed confounding. We assess the performance of several intuitively appealing estimators in a variety of simulations. While we find violations of the cross-fitting assumptions to be largely inconsequential for the accuracy of the effect estimates, many of the considered methods fail to adequately account for the presence of unobserved heterogeneity. However, we find that using predictive models based on the correlated random effects approach (Mundlak, 1978) within DML leads to accurate coefficient estimates across settings, given a sample size that is large relative to the number of observed confounders. We also show that the influence of the unobserved heterogeneity on the observed confounders plays a significant role for the performance of most alternative methods.

Exploring Transformer Backbones for Heterogeneous Treatment Effect Estimation

Previous works on Treatment Effect Estimation (TEE) are not in widespread use because they are predominantly theoretical, where strong parametric assumptions are made but untractable for practical application. Recent work uses multilayer perceptron (MLP) for modeling casual relationships, however, MLPs lag far behind recent advances in ML methodology, which limits their applicability and generalizability. To extend beyond the single domain formulation and towards more realistic learning scenarios, we explore model design spaces beyond MLPs, i.e., transformer backbones, which provide flexibility where attention layers govern interactions among treatments and covariates to exploit structural similarities of potential outcomes for confounding control. Through careful model design, Transformers as Treatment Effect Estimators (TransTEE) is proposed. We show empirically that TransTEE can: (1) serve as a general purpose treatment effect estimator that significantly outperforms competitive baselines in a variety of challenging TEE problems (e.g., discrete, continuous, structured, or dosage-associated treatments) and is applicable to both when covariates are tabular and when they consist of structural data (e.g., texts, graphs); (2) yield multiple advantages: compatibility with propensity score modeling, parameter efficiency, robustness to continuous treatment value distribution shifts, explainable in covariate adjustment, and real-world utility in auditing pre-trained language models

Extending Mixture of Experts Model to Investigate Heterogeneity of Trajectories: When, Where and How to Add Which Covariates

Researchers are usually interested in examining the impact of covariates when separating heterogeneous samples into latent classes that are more homogeneous. The majority of theoretical and empirical studies with such aims have focused on identifying covariates as predictors of class membership in the structural equation modeling framework. In other words, the covariates only indirectly affect the sample heterogeneity. However, the covariates' influence on between-individual differences can also be direct. This article presents a mixture model that investigates covariates to explain within-cluster and between-cluster heterogeneity simultaneously, known as a mixture-of-experts (MoE) model. This study aims to extend the MoE framework to investigate heterogeneity in nonlinear trajectories: to identify latent classes, covariates as predictors to clusters, and covariates that explain within-cluster differences in change patterns over time. Our simulation studies demonstrate that the proposed model generally estimates the parameters unbiasedly, precisely and exhibits appropriate empirical coverage for a nominal 95% confidence interval. This study also proposes implementing structural equation model forests to shrink the covariate space of the proposed mixture model. We illustrate how to select covariates and construct the proposed model with longitudinal mathematics achievement data. Additionally, we demonstrate that the proposed mixture model can be further extended in the structural equation modeling framework by allowing the covariates that have direct effects to be time-varying.

Effect Heterogeneity with Earth Observation in Randomized Controlled Trials: Exploring the Role of Data, Model, and Evaluation Metric Choice

Many social and environmental phenomena are associated with macroscopic changes in the built environment, captured by satellite imagery on a global scale and with daily temporal resolution. While widely used for prediction, these images and especially image sequences remain underutilized for causal inference, especially in the context of randomized controlled trials (RCTs), where causal identification is established by design. In this paper, we develop and compare a set of general tools for analyzing Conditional Average Treatment Effects (CATEs) from temporal satellite data that can be applied to any RCT where geographical identifiers are available. Through a simulation study, we analyze different modeling strategies for estimating CATE in sequences of satellite images. We find that image sequence representation models with more parameters generally yield a greater ability to detect heterogeneity. To explore the role of model and data choice in practice, we apply the approaches to two influential RCTs -- Banerjee et al. (2015), a poverty study in Cusco, Peru, and Bolsen et al. (2014), a water conservation experiment in Georgia, USA. We benchmark our image sequence models against image-only, tabular-only, and combined image-tabular data sources, summarizing practical implications for investigators in a multivariate analysis. Land cover classifications over satellite images facilitate interpretation of what image features drive heterogeneity. We also show robustness to data and model choice of satellite-based generalization of the RCT results to larger geographical areas outside the original. Overall, this paper shows how satellite sequence data can be incorporated into the analysis of RCTs, and provides evidence about the implications of data, model, and evaluation metric choice for causal analysis.

Causal Discovery from Heterogeneous/Nonstationary Data with Independent Changes

It is commonplace to encounter heterogeneous or nonstationary data, of which the underlying generating process changes across domains or over time. Such a distribution shift feature presents both challenges and opportunities for causal discovery. In this paper, we develop a framework for causal discovery from such data, called Constraint-based causal Discovery from heterogeneous/NOnstationary Data (CD-NOD), to find causal skeleton and directions and estimate the properties of mechanism changes. First, we propose an enhanced constraint-based procedure to detect variables whose local mechanisms change and recover the skeleton of the causal structure over observed variables. Second, we present a method to determine causal orientations by making use of independent changes in the data distribution implied by the underlying causal model, benefiting from information carried by changing distributions. After learning the causal structure, next, we investigate how to efficiently estimate the "driving force" of the nonstationarity of a causal mechanism. That is, we aim to extract from data a low-dimensional representation of changes. The proposed methods are nonparametric, with no hard restrictions on data distributions and causal mechanisms, and do not rely on window segmentation. Furthermore, we find that data heterogeneity benefits causal structure identification even with particular types of confounders. Finally, we show the connection between heterogeneity/nonstationarity and soft intervention in causal discovery. Experimental results on various synthetic and real-world data sets (task-fMRI and stock market data) are presented to demonstrate the efficacy of the proposed methods.

Selective Machine Learning of the Average Treatment Effect with an Invalid Instrumental Variable

Instrumental variable methods have been widely used to identify causal effects in the presence of unmeasured confounding. A key identification condition known as the exclusion restriction states that the instrument cannot have a direct effect on the outcome which is not mediated by the exposure in view. In the health and social sciences, such an assumption is often not credible. To address this concern, we consider identification conditions of the population average treatment effect with an invalid instrumental variable which does not satisfy the exclusion restriction, and derive the efficient influence function targeting the identifying functional under a nonparametric observed data model. We propose a novel multiply robust locally efficient estimator of the average treatment effect that is consistent in the union of multiple parametric nuisance models, as well as a multiply debiased machine learning estimator for which the nuisance parameters are estimated using generic machine learning methods, that effectively exploit various forms of linear or nonlinear structured sparsity in the nuisance parameter space. When one cannot be confident that any of these machine learners is consistent at sufficiently fast rates to ensure n-consistency for the average treatment effect, we introduce a new criteria for selective machine learning which leverages the multiple robustness property in order to ensure small bias. The proposed methods are illustrated through extensive simulations and a data analysis evaluating the causal effect of 401(k) participation on savings.

Multimodal Deep Learning of Word-of-Mouth Text and Demographics to Predict Customer Rating: Handling Consumer Heterogeneity in Marketing

In the marketing field, understanding consumer heterogeneity, which is the internal or psychological difference among consumers that cannot be captured by behavioral logs, has long been a critical challenge. However, a number of consumers today usually post their evaluation on the specific product on the online platform, which can be the valuable source of such unobservable differences among consumers. Several previous studies have shown the validity of the analysis on text modality, but on the other hand, such analyses may not necessarily demonstrate sufficient predictive accuracy for text alone, as they may not include information readily available from cross-sectional data, such as consumer profile data. In addition, recent advances in machine learning techniques, such as large-scale language models (LLMs) and multimodal learning have made it possible to deal with the various kind of dataset simultaneously, including textual data and the traditional cross-sectional data, and the joint representations can be effectively obtained from multiple modalities. Therefore, this study constructs a product evaluation model that takes into account consumer heterogeneity by multimodal learning of online product reviews and consumer profile information. We also compare multiple models using different modalities or hyper-parameters to demonstrate the robustness of multimodal learning in marketing analysis.

HiGPT: Heterogeneous Graph Language Model

Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph neural networks (HGNNs) have achieved state-of-the-art performance by considering relation heterogeneity and using specialized message functions and aggregation rules. However, existing frameworks for heterogeneous graph learning have limitations in generalizing across diverse heterogeneous graph datasets. Most of these frameworks follow the "pre-train" and "fine-tune" paradigm on the same dataset, which restricts their capacity to adapt to new and unseen data. This raises the question: "Can we generalize heterogeneous graph models to be well-adapted to diverse downstream learning tasks with distribution shifts in both node token sets and relation type heterogeneity?'' To tackle those challenges, we propose HiGPT, a general large graph model with Heterogeneous graph instruction-tuning paradigm. Our framework enables learning from arbitrary heterogeneous graphs without the need for any fine-tuning process from downstream datasets. To handle distribution shifts in heterogeneity, we introduce an in-context heterogeneous graph tokenizer that captures semantic relationships in different heterogeneous graphs, facilitating model adaptation. We incorporate a large corpus of heterogeneity-aware graph instructions into our HiGPT, enabling the model to effectively comprehend complex relation heterogeneity and distinguish between various types of graph tokens. Furthermore, we introduce the Mixture-of-Thought (MoT) instruction augmentation paradigm to mitigate data scarcity by generating diverse and informative instructions. Through comprehensive evaluations, our proposed framework demonstrates exceptional performance in terms of generalization performance.

Heterogeneous Graph Contrastive Learning with Meta-path Contexts and Adaptively Weighted Negative Samples

Heterogeneous graph contrastive learning has received wide attention recently. Some existing methods use meta-paths, which are sequences of object types that capture semantic relationships between objects, to construct contrastive views. However, most of them ignore the rich meta-path context information that describes how two objects are connected by meta-paths. Further, they fail to distinguish negative samples, which could adversely affect the model performance. To address the problems, we propose MEOW, which considers both meta-path contexts and weighted negative samples. Specifically, MEOW constructs a coarse view and a fine-grained view for contrast. The former reflects which objects are connected by meta-paths, while the latter uses meta-path contexts and characterizes details on how the objects are connected. Then, we theoretically analyze the InfoNCE loss and recognize its limitations for computing gradients of negative samples. To better distinguish negative samples, we learn hard-valued weights for them based on node clustering and use prototypical contrastive learning to pull close embeddings of nodes in the same cluster. In addition, we propose a variant model AdaMEOW that adaptively learns soft-valued weights of negative samples to further improve node representation. Finally, we conduct extensive experiments to show the superiority of MEOW and AdaMEOW against other state-of-the-art methods.

Heterogeneous Graph Representation Learning with Relation Awareness

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are primarily developed by following the propagation mechanism of node representations. There are few efforts on studying the role of relations for improving the learning of more fine-grained node representations. Indeed, it is important to collaboratively learn the semantic representations of relations and discern node representations with respect to different relation types. To this end, in this paper, we propose a novel Relation-aware Heterogeneous Graph Neural Network, namely R-HGNN, to learn node representations on heterogeneous graphs at a fine-grained level by considering relation-aware characteristics. Specifically, a dedicated graph convolution component is first designed to learn unique node representations from each relation-specific graph separately. Then, a cross-relation message passing module is developed to improve the interactions of node representations across different relations. Also, the relation representations are learned in a layer-wise manner to capture relation semantics, which are used to guide the node representation learning process. Moreover, a semantic fusing module is presented to aggregate relation-aware node representations into a compact representation with the learned relation representations. Finally, we conduct extensive experiments on a variety of graph learning tasks, and experimental results demonstrate that our approach consistently outperforms existing methods among all the tasks.

Tackling the Unlimited Staleness in Federated Learning with Intertwined Data and Device Heterogeneities

The efficiency of Federated Learning (FL) is often affected by both data and device heterogeneities. Data heterogeneity is defined as the heterogeneity of data distributions on different clients. Device heterogeneity is defined as the clients' variant latencies in uploading their local model updates due to heterogeneous conditions of local hardware resources, and causes the problem of staleness when being addressed by asynchronous FL. Traditional schemes of tackling the impact of staleness consider data and device heterogeneities as two separate and independent aspects in FL, but this assumption is unrealistic in many practical FL scenarios where data and device heterogeneities are intertwined. In these cases, traditional schemes of weighted aggregation in FL have been proved to be ineffective, and a better approach is to convert a stale model update into a non-stale one. In this paper, we present a new FL framework that leverages the gradient inversion technique for such conversion, hence efficiently tackling unlimited staleness in clients' model updates. Our basic idea is to use gradient inversion to get estimations of clients' local training data from their uploaded stale model updates, and use these estimations to compute non-stale client model updates. In this way, we address the problem of possible data quality drop when using gradient inversion, while still preserving the clients' local data privacy. We compared our approach with the existing FL strategies on mainstream datasets and models, and experiment results demonstrate that when tackling unlimited staleness, our approach can significantly improve the trained model accuracy by up to 20% and speed up the FL training progress by up to 35%.

Hiformer: Heterogeneous Feature Interactions Learning with Transformers for Recommender Systems

Learning feature interaction is the critical backbone to building recommender systems. In web-scale applications, learning feature interaction is extremely challenging due to the sparse and large input feature space; meanwhile, manually crafting effective feature interactions is infeasible because of the exponential solution space. We propose to leverage a Transformer-based architecture with attention layers to automatically capture feature interactions. Transformer architectures have witnessed great success in many domains, such as natural language processing and computer vision. However, there has not been much adoption of Transformer architecture for feature interaction modeling in industry. We aim at closing the gap. We identify two key challenges for applying the vanilla Transformer architecture to web-scale recommender systems: (1) Transformer architecture fails to capture the heterogeneous feature interactions in the self-attention layer; (2) The serving latency of Transformer architecture might be too high to be deployed in web-scale recommender systems. We first propose a heterogeneous self-attention layer, which is a simple yet effective modification to the self-attention layer in Transformer, to take into account the heterogeneity of feature interactions. We then introduce Hiformer (Heterogeneous Interaction Transformer) to further improve the model expressiveness. With low-rank approximation and model pruning, \hiformer enjoys fast inference for online deployment. Extensive offline experiment results corroborates the effectiveness and efficiency of the Hiformer model. We have successfully deployed the Hiformer model to a real world large scale App ranking model at Google Play, with significant improvement in key engagement metrics (up to +2.66\%).

DiffGraph: Heterogeneous Graph Diffusion Model

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.

An Extensible Framework for Open Heterogeneous Collaborative Perception

Collaborative perception aims to mitigate the limitations of single-agent perception, such as occlusions, by facilitating data exchange among multiple agents. However, most current works consider a homogeneous scenario where all agents use identity sensors and perception models. In reality, heterogeneous agent types may continually emerge and inevitably face a domain gap when collaborating with existing agents. In this paper, we introduce a new open heterogeneous problem: how to accommodate continually emerging new heterogeneous agent types into collaborative perception, while ensuring high perception performance and low integration cost? To address this problem, we propose HEterogeneous ALliance (HEAL), a novel extensible collaborative perception framework. HEAL first establishes a unified feature space with initial agents via a novel multi-scale foreground-aware Pyramid Fusion network. When heterogeneous new agents emerge with previously unseen modalities or models, we align them to the established unified space with an innovative backward alignment. This step only involves individual training on the new agent type, thus presenting extremely low training costs and high extensibility. To enrich agents' data heterogeneity, we bring OPV2V-H, a new large-scale dataset with more diverse sensor types. Extensive experiments on OPV2V-H and DAIR-V2X datasets show that HEAL surpasses SOTA methods in performance while reducing the training parameters by 91.5% when integrating 3 new agent types. We further implement a comprehensive codebase at: https://github.com/yifanlu0227/HEAL

iPLAN: Intent-Aware Planning in Heterogeneous Traffic via Distributed Multi-Agent Reinforcement Learning

Navigating safely and efficiently in dense and heterogeneous traffic scenarios is challenging for autonomous vehicles (AVs) due to their inability to infer the behaviors or intentions of nearby drivers. In this work, we introduce a distributed multi-agent reinforcement learning (MARL) algorithm that can predict trajectories and intents in dense and heterogeneous traffic scenarios. Our approach for intent-aware planning, iPLAN, allows agents to infer nearby drivers' intents solely from their local observations. We model two distinct incentives for agents' strategies: Behavioral Incentive for high-level decision-making based on their driving behavior or personality and Instant Incentive for motion planning for collision avoidance based on the current traffic state. Our approach enables agents to infer their opponents' behavior incentives and integrate this inferred information into their decision-making and motion-planning processes. We perform experiments on two simulation environments, Non-Cooperative Navigation and Heterogeneous Highway. In Heterogeneous Highway, results show that, compared with centralized training decentralized execution (CTDE) MARL baselines such as QMIX and MAPPO, our method yields a 4.3% and 38.4% higher episodic reward in mild and chaotic traffic, with 48.1% higher success rate and 80.6% longer survival time in chaotic traffic. We also compare with a decentralized training decentralized execution (DTDE) baseline IPPO and demonstrate a higher episodic reward of 12.7% and 6.3% in mild traffic and chaotic traffic, 25.3% higher success rate, and 13.7% longer survival time.

Layer-stacked Attention for Heterogeneous Network Embedding

The heterogeneous network is a robust data abstraction that can model entities of different types interacting in various ways. Such heterogeneity brings rich semantic information but presents nontrivial challenges in aggregating the heterogeneous relationships between objects - especially those of higher-order indirect relations. Recent graph neural network approaches for representation learning on heterogeneous networks typically employ the attention mechanism, which is often only optimized for predictions based on direct links. Furthermore, even though most deep learning methods can aggregate higher-order information by building deeper models, such a scheme can diminish the degree of interpretability. To overcome these challenges, we explore an architecture - Layer-stacked ATTention Embedding (LATTE) - that automatically decomposes higher-order meta relations at each layer to extract the relevant heterogeneous neighborhood structures for each node. Additionally, by successively stacking layer representations, the learned node embedding offers a more interpretable aggregation scheme for nodes of different types at different neighborhood ranges. We conducted experiments on several benchmark heterogeneous network datasets. In both transductive and inductive node classification tasks, LATTE can achieve state-of-the-art performance compared to existing approaches, all while offering a lightweight model. With extensive experimental analyses and visualizations, the framework can demonstrate the ability to extract informative insights on heterogeneous networks.

AgentStore: Scalable Integration of Heterogeneous Agents As Specialized Generalist Computer Assistant

Digital agents capable of automating complex computer tasks have attracted considerable attention due to their immense potential to enhance human-computer interaction. However, existing agent methods exhibit deficiencies in their generalization and specialization capabilities, especially in handling open-ended computer tasks in real-world environments. Inspired by the rich functionality of the App store, we present AgentStore, a scalable platform designed to dynamically integrate heterogeneous agents for automating computer tasks. AgentStore empowers users to integrate third-party agents, allowing the system to continuously enrich its capabilities and adapt to rapidly evolving operating systems. Additionally, we propose a novel core MetaAgent with the AgentToken strategy to efficiently manage diverse agents and utilize their specialized and generalist abilities for both domain-specific and system-wide tasks. Extensive experiments on three challenging benchmarks demonstrate that AgentStore surpasses the limitations of previous systems with narrow capabilities, particularly achieving a significant improvement from 11.21\% to 23.85\% on the OSWorld benchmark, more than doubling the previous results. Comprehensive quantitative and qualitative results further demonstrate AgentStore's ability to enhance agent systems in both generalization and specialization, underscoring its potential for developing the specialized generalist computer assistant. All our codes will be made publicly available in https://chengyou-jia.github.io/AgentStore-Home.

Noise May Contain Transferable Knowledge: Understanding Semi-supervised Heterogeneous Domain Adaptation from an Empirical Perspective

Semi-supervised heterogeneous domain adaptation (SHDA) addresses learning across domains with distinct feature representations and distributions, where source samples are labeled while most target samples are unlabeled, with only a small fraction labeled. Moreover, there is no one-to-one correspondence between source and target samples. Although various SHDA methods have been developed to tackle this problem, the nature of the knowledge transferred across heterogeneous domains remains unclear. This paper delves into this question from an empirical perspective. We conduct extensive experiments on about 330 SHDA tasks, employing two supervised learning methods and seven representative SHDA methods. Surprisingly, our observations indicate that both the category and feature information of source samples do not significantly impact the performance of the target domain. Additionally, noise drawn from simple distributions, when used as source samples, may contain transferable knowledge. Based on this insight, we perform a series of experiments to uncover the underlying principles of transferable knowledge in SHDA. Specifically, we design a unified Knowledge Transfer Framework (KTF) for SHDA. Based on the KTF, we find that the transferable knowledge in SHDA primarily stems from the transferability and discriminability of the source domain. Consequently, ensuring those properties in source samples, regardless of their origin (e.g., image, text, noise), can enhance the effectiveness of knowledge transfer in SHDA tasks. The codes and datasets are available at https://github.com/yyyaoyuan/SHDA.

UniHGKR: Unified Instruction-aware Heterogeneous Knowledge Retrievers

Existing information retrieval (IR) models often assume a homogeneous structure for knowledge sources and user queries, limiting their applicability in real-world settings where retrieval is inherently heterogeneous and diverse. In this paper, we introduce UniHGKR, a unified instruction-aware heterogeneous knowledge retriever that (1) builds a unified retrieval space for heterogeneous knowledge and (2) follows diverse user instructions to retrieve knowledge of specified types. UniHGKR consists of three principal stages: heterogeneous self-supervised pretraining, text-anchored embedding alignment, and instruction-aware retriever fine-tuning, enabling it to generalize across varied retrieval contexts. This framework is highly scalable, with a BERT-based version and a UniHGKR-7B version trained on large language models. Also, we introduce CompMix-IR, the first native heterogeneous knowledge retrieval benchmark. It includes two retrieval scenarios with various instructions, over 9,400 question-answer (QA) pairs, and a corpus of 10 million entries, covering four different types of data. Extensive experiments show that UniHGKR consistently outperforms state-of-the-art methods on CompMix-IR, achieving up to 6.36% and 54.23% relative improvements in two scenarios, respectively. Finally, by equipping our retriever for open-domain heterogeneous QA systems, we achieve a new state-of-the-art result on the popular ConvMix task, with an absolute improvement of up to 4.80 points.

An Efficient General-Purpose Modular Vision Model via Multi-Task Heterogeneous Training

We present a model that can perform multiple vision tasks and can be adapted to other downstream tasks efficiently. Despite considerable progress in multi-task learning, most efforts focus on learning from multi-label data: a single image set with multiple task labels. Such multi-label data sets are rare, small, and expensive. We say heterogeneous to refer to image sets with different task labels, or to combinations of single-task datasets. Few have explored training on such heterogeneous datasets. General-purpose vision models are still dominated by single-task pretraining, and it remains unclear how to scale up multi-task models by leveraging mainstream vision datasets designed for different purposes. The challenges lie in managing large intrinsic differences among vision tasks, including data distribution, architectures, task-specific modules, dataset scales, and sampling strategies. To address these challenges, we propose to modify and scale up mixture-of-experts (MoE) vision transformers, so that they can simultaneously learn classification, detection, and segmentation on diverse mainstream vision datasets including ImageNet, COCO, and ADE20K. Our approach achieves comparable results to single-task state-of-the-art models and demonstrates strong generalization on downstream tasks. Due to its emergent modularity, this general-purpose model decomposes into high-performing components, efficiently adapting to downstream tasks. We can fine-tune it with fewer training parameters, fewer model parameters, and less computation. Additionally, its modularity allows for easy expansion in continual-learning-without-forgetting scenarios. Finally, these functions can be controlled and combined to meet various demands of downstream tasks.

Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

Navigating Chemical-Linguistic Sharing Space with Heterogeneous Molecular Encoding

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and molecular representations. This challenge is primarily due to the inherent modeling differences between molecules and texts: molecules operate unified modeling to learn chemical space, while natural language sequentially models the semantic space. Additionally, the limited availability of high-quality text-to-molecule datasets further exacerbates this challenge. To address the problem, we first verified the information bias in molecular representations from different perspectives. We then developed the Heterogeneous Molecular Encoding (HME) framework, a unified molecular encoder compressing the molecular features from fragment sequence, topology, and conformation with Q-learning. To better model chemical-linguistic space, we further constructed the MCMoD dataset, which contains over one million molecules with various conditions, including properties, fragments, and descriptions. Experimentally, HME promotes CLMs to achieve chemical-linguistic sharing space exploration: (1) chemical space exploration with linguistic guidance, where HME achieves significant improvements (+37.8\% FCD) for molecular design in multiple constraints, even in zero-shot scenarios; (2) linguistic space exploration with molecular guidance, where HME generates textual descriptions with high qualities (+11.6\% BLEU) for molecules. These results highlight the precision of HME in handling multi-objective and cross-domain tasks, as well as its remarkable generalization capability on unseen task combinations. HME offers a new perspective on navigating chemical-linguistic sharing space, advancing the potential of CLMs in both fundamental research and practical applications in chemistry.

Dovetail: A CPU/GPU Heterogeneous Speculative Decoding for LLM inference

Due to the high resource demands of Large Language Models (LLMs), achieving widespread deployment on consumer-grade devices presents significant challenges. Typically, personal or consumer-grade devices, including servers configured prior to the era of large-scale models, generally have relatively weak GPUs and relatively strong CPUs. However, most current methods primarily depend on GPUs for computation. Therefore, we propose Dovetail, an approach that deploys the draft model on the GPU to generate draft tokens while allowing the target model to perform parallel verification on the CPU, thereby improving the utilization of all available hardware resources and occupying less inter-device communication bandwidth. Accordingly, we have redesigned the draft model to better align with heterogeneous hardware characteristics. To this end, we implemented several optimizations: reducing the number of draft tokens to mitigate latency in parallel verification, increasing the depth of the draft model to enhance its predictive capacity, and introducing DGF (Dynamic Gating Fusion) to improve the integration of features and token embeddings. In the HumanEval benchmark, Dovetail achieved an inference speed of 5.86 tokens per second for LLaMA2-Chat-7B using 3GB of VRAM, representing an approximately 2.77x improvement over CPU-only inference. Furthermore, the inference speed was increased to 8 tokens per second when utilizing 7GB of VRAM.

Information Extraction from Heterogeneous Documents without Ground Truth Labels using Synthetic Label Generation and Knowledge Distillation

Invoices and receipts submitted by employees are visually rich documents (VRDs) with textual, visual and layout information. To protect against the risk of fraud and abuse, it is crucial for organizations to efficiently extract desired information from submitted receipts. This helps in the assessment of key factors such as appropriateness of the expense claim, adherence to spending and transaction policies, the validity of the receipt, as well as downstream anomaly detection at various levels. These documents are heterogeneous, with multiple formats and languages, uploaded with different image qualities, and often do not contain ground truth labels for the efficient training of models. In this paper we propose Task Aware Instruction-based Labelling (TAIL), a method for synthetic label generation in VRD corpuses without labels, and fine-tune a multimodal Visually Rich Document Understanding Model (VRDU) on TAIL labels using response-based knowledge distillation without using the teacher model's weights or training dataset to conditionally generate annotations in the appropriate format. Using a benchmark external dataset where ground truth labels are available, we demonstrate conditions under which our approach performs at par with Claude 3 Sonnet through empirical studies. We then show that the resulting model performs at par or better on the internal expense documents of a large multinational organization than state-of-the-art LMM (large multimodal model) Claude 3 Sonnet while being 85% less costly and ~5X faster, and outperforms layout-aware baselines by more than 10% in Average Normalized Levenshtein Similarity (ANLS) scores due to its ability to reason and extract information from rare formats. Finally, we illustrate the usage of our approach in overpayment prevention.

GTP-4o: Modality-prompted Heterogeneous Graph Learning for Omni-modal Biomedical Representation

Recent advances in learning multi-modal representation have witnessed the success in biomedical domains. While established techniques enable handling multi-modal information, the challenges are posed when extended to various clinical modalities and practical modalitymissing setting due to the inherent modality gaps. To tackle these, we propose an innovative Modality-prompted Heterogeneous Graph for Omnimodal Learning (GTP-4o), which embeds the numerous disparate clinical modalities into a unified representation, completes the deficient embedding of missing modality and reformulates the cross-modal learning with a graph-based aggregation. Specially, we establish a heterogeneous graph embedding to explicitly capture the diverse semantic properties on both the modality-specific features (nodes) and the cross-modal relations (edges). Then, we design a modality-prompted completion that enables completing the inadequate graph representation of missing modality through a graph prompting mechanism, which generates hallucination graphic topologies to steer the missing embedding towards the intact representation. Through the completed graph, we meticulously develop a knowledge-guided hierarchical cross-modal aggregation consisting of a global meta-path neighbouring to uncover the potential heterogeneous neighbors along the pathways driven by domain knowledge, and a local multi-relation aggregation module for the comprehensive cross-modal interaction across various heterogeneous relations. We assess the efficacy of our methodology on rigorous benchmarking experiments against prior state-of-the-arts. In a nutshell, GTP-4o presents an initial foray into the intriguing realm of embedding, relating and perceiving the heterogeneous patterns from various clinical modalities holistically via a graph theory. Project page: https://gtp-4-o.github.io/.

NeuPIMs: NPU-PIM Heterogeneous Acceleration for Batched LLM Inferencing

Modern transformer-based Large Language Models (LLMs) are constructed with a series of decoder blocks. Each block comprises three key components: (1) QKV generation, (2) multi-head attention, and (3) feed-forward networks. In batched processing, QKV generation and feed-forward networks involve compute-intensive matrix-matrix multiplications (GEMM), while multi-head attention requires bandwidth-heavy matrix-vector multiplications (GEMV). Machine learning accelerators like TPUs or NPUs are proficient in handling GEMM but are less efficient for GEMV computations. Conversely, Processing-in-Memory (PIM) technology is tailored for efficient GEMV computation, while it lacks the computational power to handle GEMM effectively. Inspired by this insight, we propose NeuPIMs, a heterogeneous acceleration system that jointly exploits a conventional GEMM-focused NPU and GEMV-optimized PIM devices. The main challenge in efficiently integrating NPU and PIM lies in enabling concurrent operations on both platforms, each addressing a specific kernel type. First, existing PIMs typically operate in a "blocked" mode, allowing only either NPU or PIM to be active at any given time. Second, the inherent dependencies between GEMM and GEMV in LLMs restrict their parallel processing. To tackle these challenges, NeuPIMs is equipped with dual row buffers in each bank, facilitating the simultaneous management of memory read/write operations and PIM commands. Further, NeuPIMs employs a runtime sub-batch interleaving technique to maximize concurrent execution, leveraging batch parallelism to allow two independent sub-batches to be pipelined within a single NeuPIMs device. Our evaluation demonstrates that compared to GPU-only, NPU-only, and a na\"ive NPU+PIM integrated acceleration approaches, NeuPIMs achieves 3times, 2.4times and 1.6times throughput improvement, respectively.

FedCompass: Efficient Cross-Silo Federated Learning on Heterogeneous Client Devices using a Computing Power Aware Scheduler

Cross-silo federated learning offers a promising solution to collaboratively train robust and generalized AI models without compromising the privacy of local datasets, e.g., healthcare, financial, as well as scientific projects that lack a centralized data facility. Nonetheless, because of the disparity of computing resources among different clients (i.e., device heterogeneity), synchronous federated learning algorithms suffer from degraded efficiency when waiting for straggler clients. Similarly, asynchronous federated learning algorithms experience degradation in the convergence rate and final model accuracy on non-identically and independently distributed (non-IID) heterogeneous datasets due to stale local models and client drift. To address these limitations in cross-silo federated learning with heterogeneous clients and data, we propose FedCompass, an innovative semi-asynchronous federated learning algorithm with a computing power-aware scheduler on the server side, which adaptively assigns varying amounts of training tasks to different clients using the knowledge of the computing power of individual clients. FedCompass ensures that multiple locally trained models from clients are received almost simultaneously as a group for aggregation, effectively reducing the staleness of local models. At the same time, the overall training process remains asynchronous, eliminating prolonged waiting periods from straggler clients. Using diverse non-IID heterogeneous distributed datasets, we demonstrate that FedCompass achieves faster convergence and higher accuracy than other asynchronous algorithms while remaining more efficient than synchronous algorithms when performing federated learning on heterogeneous clients. The source code for FedCompass is available at https://github.com/APPFL/FedCompass.

Learning to Represent Programs with Heterogeneous Graphs

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

Holmes: Towards Distributed Training Across Clusters with Heterogeneous NIC Environment

Large language models (LLMs) such as GPT-3, OPT, and LLaMA have demonstrated remarkable accuracy in a wide range of tasks. However, training these models can incur significant expenses, often requiring tens of thousands of GPUs for months of continuous operation. Typically, this training is carried out in specialized GPU clusters equipped with homogeneous high-speed Remote Direct Memory Access (RDMA) network interface cards (NICs). The acquisition and maintenance of such dedicated clusters is challenging. Current LLM training frameworks, like Megatron-LM and Megatron-DeepSpeed, focus primarily on optimizing training within homogeneous cluster settings. In this paper, we introduce Holmes, a training framework for LLMs that employs thoughtfully crafted data and model parallelism strategies over the heterogeneous NIC environment. Our primary technical contribution lies in a novel scheduling method that intelligently allocates distinct computational tasklets in LLM training to specific groups of GPU devices based on the characteristics of their connected NICs. Furthermore, our proposed framework, utilizing pipeline parallel techniques, demonstrates scalability to multiple GPU clusters, even in scenarios without high-speed interconnects between nodes in distinct clusters. We conducted comprehensive experiments that involved various scenarios in the heterogeneous NIC environment. In most cases, our framework achieves performance levels close to those achievable with homogeneous RDMA-capable networks (InfiniBand or RoCE), significantly exceeding training efficiency within the pure Ethernet environment. Additionally, we verified that our framework outperforms other mainstream LLM frameworks under heterogeneous NIC environment in terms of training efficiency and can be seamlessly integrated with them.

DeepSoCS: A Neural Scheduler for Heterogeneous System-on-Chip (SoC) Resource Scheduling

In this paper, we~present a novel scheduling solution for a class of System-on-Chip (SoC) systems where heterogeneous chip resources (DSP, FPGA, GPU, etc.) must be efficiently scheduled for continuously arriving hierarchical jobs with their tasks represented by a directed acyclic graph. Traditionally, heuristic algorithms have been widely used for many resource scheduling domains, and Heterogeneous Earliest Finish Time (HEFT) has been a dominating state-of-the-art technique across a broad range of heterogeneous resource scheduling domains over many years. Despite their long-standing popularity, HEFT-like algorithms are known to be vulnerable to a small amount of noise added to the environment. Our Deep Reinforcement Learning (DRL)-based SoC Scheduler (DeepSoCS), capable of learning the "best" task ordering under dynamic environment changes, overcomes the brittleness of rule-based schedulers such as HEFT with significantly higher performance across different types of jobs. We~describe a DeepSoCS design process using a real-time heterogeneous SoC scheduling emulator, discuss major challenges, and present two novel neural network design features that lead to outperforming HEFT: (i) hierarchical job- and task-graph embedding; and (ii) efficient use of real-time task information in the state space. Furthermore, we~introduce effective techniques to address two fundamental challenges present in our environment: delayed consequences and joint actions. Through an extensive simulation study, we~show that our DeepSoCS exhibits the significantly higher performance of job execution time than that of HEFT with a higher level of robustness under realistic noise conditions. We~conclude with a discussion of the potential improvements for our DeepSoCS neural scheduler.

Co-Exploration of Neural Architectures and Heterogeneous ASIC Accelerator Designs Targeting Multiple Tasks

Neural Architecture Search (NAS) has demonstrated its power on various AI accelerating platforms such as Field Programmable Gate Arrays (FPGAs) and Graphic Processing Units (GPUs). However, it remains an open problem, how to integrate NAS with Application-Specific Integrated Circuits (ASICs), despite them being the most powerful AI accelerating platforms. The major bottleneck comes from the large design freedom associated with ASIC designs. Moreover, with the consideration that multiple DNNs will run in parallel for different workloads with diverse layer operations and sizes, integrating heterogeneous ASIC sub-accelerators for distinct DNNs in one design can significantly boost performance, and at the same time further complicate the design space. To address these challenges, in this paper we build ASIC template set based on existing successful designs, described by their unique dataflows, so that the design space is significantly reduced. Based on the templates, we further propose a framework, namely NASAIC, which can simultaneously identify multiple DNN architectures and the associated heterogeneous ASIC accelerator design, such that the design specifications (specs) can be satisfied, while the accuracy can be maximized. Experimental results show that compared with successive NAS and ASIC design optimizations which lead to design spec violations, NASAIC can guarantee the results to meet the design specs with 17.77%, 2.49x, and 2.32x reductions on latency, energy, and area and with 0.76% accuracy loss. To the best of the authors' knowledge, this is the first work on neural architecture and ASIC accelerator design co-exploration.

Likelihood Adjusted Semidefinite Programs for Clustering Heterogeneous Data

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

Accident Risk Prediction based on Heterogeneous Sparse Data: New Dataset and Insights

Reducing traffic accidents is an important public safety challenge, therefore, accident analysis and prediction has been a topic of much research over the past few decades. Using small-scale datasets with limited coverage, being dependent on extensive set of data, and being not applicable for real-time purposes are the important shortcomings of the existing studies. To address these challenges, we propose a new solution for real-time traffic accident prediction using easy-to-obtain, but sparse data. Our solution relies on a deep-neural-network model (which we have named DAP, for Deep Accident Prediction); which utilizes a variety of data attributes such as traffic events, weather data, points-of-interest, and time. DAP incorporates multiple components including a recurrent (for time-sensitive data), a fully connected (for time-insensitive data), and a trainable embedding component (to capture spatial heterogeneity). To fill the data gap, we have - through a comprehensive process of data collection, integration, and augmentation - created a large-scale publicly available database of accident information named US-Accidents. By employing the US-Accidents dataset and through an extensive set of experiments across several large cities, we have evaluated our proposal against several baselines. Our analysis and results show significant improvements to predict rare accident events. Further, we have shown the impact of traffic information, time, and points-of-interest data for real-time accident prediction.

Accelerating Dependency Graph Learning from Heterogeneous Categorical Event Streams via Knowledge Transfer

Dependency graph, as a heterogeneous graph representing the intrinsic relationships between different pairs of system entities, is essential to many data analysis applications, such as root cause diagnosis, intrusion detection, etc. Given a well-trained dependency graph from a source domain and an immature dependency graph from a target domain, how can we extract the entity and dependency knowledge from the source to enhance the target? One way is to directly apply a mature dependency graph learned from a source domain to the target domain. But due to the domain variety problem, directly using the source dependency graph often can not achieve good performance. Traditional transfer learning methods mainly focus on numerical data and are not applicable. In this paper, we propose ACRET, a knowledge transfer based model for accelerating dependency graph learning from heterogeneous categorical event streams. In particular, we first propose an entity estimation model to filter out irrelevant entities from the source domain based on entity embedding and manifold learning. Only the entities with statistically high correlations are transferred to the target domain. On the surviving entities, we propose a dependency construction model for constructing the unbiased dependency relationships by solving a two-constraint optimization problem. The experimental results on synthetic and real-world datasets demonstrate the effectiveness and efficiency of ACRET. We also apply ACRET to a real enterprise security system for intrusion detection. Our method is able to achieve superior detection performance at least 20 days lead lag time in advance with more than 70% accuracy.