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Language · Knowledge

Yansong Ning, Hao Liu

Urban knowledge graph has recently worked as an emerging building block to distill critical knowledge from multi-sourced urban data for diverse urban application scenarios. Despite its promising benefits, urban knowledge graph construction (UrbanKGC) still heavily relies on manual effort, hindering its potential advancement. This paper presents UrbanKGent, a unified large language model agent framework, for urban knowledge graph construction. Specifically, we first construct the knowledgeable instruction set for UrbanKGC tasks (such as relational triplet extraction and knowledge graph completion) via heterogeneity-aware and geospatial-infused instruction generation. Moreover, we propose a tool-augmented iterative trajectory refinement module to enhance and refine the trajectories distilled from GPT-4. Through hybrid instruction fine-tuning with augmented trajectories on Llama 2 and Llama 3 family, we obtain UrbanKGC agent family, consisting of UrbanKGent-7/8/13B version. We perform a comprehensive evaluation on two real-world datasets using both human and GPT-4 self-evaluation. The experimental results demonstrate that UrbanKGent family can not only significantly outperform 31 baselines in UrbanKGC tasks, but also surpass the state-of-the-art LLM, GPT-4, by more than 10% with approximately 20 times lower cost. Compared with the existing benchmark, the UrbanKGent family could help construct an UrbanKG with hundreds of times richer relationships using only one-fifth of the data. Our data and code are available at https://github.com/usail-hkust/UrbanKGent.

Jinzhu Luo, Dingyang Chen, Qi Zhang

Data augmentation creates new data points by transforming the original ones for an reinforcement learning (RL) agent to learn from, which has been shown to be effective for the objective of improving data efficiency of RL for continuous control. Prior work towards this objective has been largely restricted to perturbation-based data augmentation where new data points are created by perturbing the original ones,which has been impressively effective for tasks where the RL agent observe control states as images with perturbations including random cropping, shifting, etc. This work focuses on state-based control, where the RL agent can directly observe raw kinematic and task features, and considers an alternative data augmentation applied to these features based on Euclidean symmetries under transformations like rotations. We show that the default state features used in exiting benchmark tasks that are based on joint configurations are not amenable to Euclidean transformations. We therefore advocate using state features based on configurations of the limbs (i.e., rigid bodies connected by joints) that instead provides rich augmented data under Euclidean transformations. With minimal hyperparameter tuning, we show this new Euclidean data augmentation strategy significantly improve both data efficiency and asymptotic performance of RL on a wide range of continuous control tasks.

Deep Learning · Self-Supervised Learning

Yifei Wang, Kaiwen Hu, Sharut Gupta, Ziyu Ye, Yisen Wang, Stefanie Jegelka

Contrastive learning has been a leading paradigm for self-supervised learning, but it is widely observed that it comes at the price of sacrificing useful features (\eg colors) by being invariant to data augmentations. Given this limitation, there has been a surge of interest in equivariant self-supervised learning (E-SSL) that learns features to be augmentation-aware. However, even for the simplest rotation prediction method, there is a lack of rigorous understanding of why, when, and how E-SSL learns useful features for downstream tasks. To bridge this gap between practice and theory, we establish an information-theoretic perspective to understand the generalization ability of E-SSL. In particular, we identify a critical explaining-away effect in E-SSL that creates a synergy between the equivariant and classification tasks. This synergy effect encourages models to extract class-relevant features to improve its equivariant prediction, which, in turn, benefits downstream tasks requiring semantic features. Based on this perspective, we theoretically analyze the influence of data transformations and reveal several principles for practical designs of E-SSL. Our theory not only aligns well with existing E-SSL methods but also sheds light on new directions by exploring the benefits of model equivariance. We believe that a theoretically grounded understanding on the role of equivariance would inspire more principled and advanced designs in this field. Code is available at https://github.com/kaotty/Understanding-ESSL.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Ayush Jain, Andrea Montanari, Eren Sasoglu

Collecting large quantities of high-quality data can be prohibitively expensive or impractical, and a bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more accessible sources, e.g. data collected under different circumstances or synthesized by generative models. We refer to such data as `surrogate data'. We study a weighted empirical risk minimization (ERM) approach for integrating surrogate data into training. We analyze mathematically this method under several classical statistical models, and validate our findings empirically on datasets from different domains. Our main findings are: $(i)$ Integrating surrogate data can significantly reduce the test error on the original distribution. Surprisingly, this can happen even when the surrogate data is unrelated to the original ones. We trace back this behavior to the classical Stein's paradox. $(ii)$ In order to reap the benefit of surrogate data, it is crucial to use optimally weighted ERM. $(iii)$ The test error of models trained on mixtures of real and surrogate data is approximately described by a scaling law. This scaling law can be used to predict the optimal weighting scheme, and to choose the amount of surrogate data to add.

Computer Vision · Image Generation

Eyal Michaeli, Ohad Fried

Fine-grained visual classification (FGVC) involves classifying closely related subcategories. This task is inherently difficult due to the subtle differences between classes and the high intra-class variance. Moreover, FGVC datasets are typically small and challenging to gather, thus highlighting a significant need for effective data augmentation.Recent advancements in text-to-image diffusion models have introduced new possibilities for data augmentation in image classification. While these models have been used to generate training data for classification tasks, their effectiveness in full-dataset training of FGVC models remains under-explored. Recent techniques that rely on text-to-image generation or Img2Img methods, such as SDEdit, often struggle to generate images that accurately represent the class while modifying them to a degree that significantly increases the dataset's diversity. To address these challenges, we present SaSPA: Structure and Subject Preserving Augmentation. Contrary to recent methods, our method does not use real images as guidance, thereby increasing generation flexibility and promoting greater diversity. To ensure accurate class representation, we employ conditioning mechanisms, specifically by conditioning on image edges and subject representation.We conduct extensive experiments and benchmark SaSPA against both traditional and generative data augmentation techniques. SaSPA consistently outperforms all established baselines across multiple settings, including full dataset training and contextual bias. Additionally, our results reveal interesting patterns in using synthetic data for FGVC models; for instance, we find a relationship between the amount of real data used and the optimal proportion of synthetic data.

Causality

Ryan Welch, Jiaqi Zhang, Caroline Uhler

Causal disentanglement aims to learn about latent causal factors behind data, hold- ing the promise to augment existing representation learning methods in terms of interpretability and extrapolation. Recent advances establish identifiability results assuming that interventions on (single) latent factors are available; however, it re- mains debatable whether such assumptions are reasonable due to the inherent nature of intervening on latent variables. Accordingly, we reconsider the fundamentals and ask what can be learned using just observational data.We provide a precise characterization of latent factors that can be identified in nonlinear causal models with additive Gaussian noise and linear mixing, without any interventions or graphical restrictions. In particular, we show that the causal variables can be identified up to a _layer_-wise transformation and that further disen- tanglement is not possible. We transform these theoretical results into a practical algorithm consisting of solving a quadratic program over the score estimation of the observed data. We provide simulation results to support our theoretical guarantees and demonstrate that our algorithm can derive meaningful causal representations from purely observational data.

Data-centric AI · Data augmentation

Minui Hong, Junhyeog Yun, Insu Jeon, Gunhee Kim

Federated Learning (FL) allows multiple clients to collaboratively train models without directly sharing their private data. While various data augmentation techniques have been actively studied in the FL environment, most of these methods share input-level or feature-level data information over communication, posing potential privacy leakage. In response to this challenge, we introduce a federated data augmentation algorithm named FedAvP that shares only the augmentation policies, not the data-related information. For data security and efficient policy search, we interpret the policy loss as a meta update loss in standard FL algorithms and utilize the first-order gradient information to further enhance privacy and reduce communication costs. Moreover, we propose a meta-learning method to search for adaptive personalized policies tailored to heterogeneous clients. Our approach outperforms existing best performing augmentation policy search methods and federated data augmentation methods, in the benchmarks for heterogeneous FL.

Trustworthy Machine Learning

Yuancheng Xu, Jiarui Yao, Manli Shu, Yanchao Sun, Zichu Wu, Ning Yu, Tom Goldstein, Furong Huang

Vision-Language Models (VLMs) excel in generating textual responses from visual inputs, but their versatility raises security concerns. This study takes the first step in exposing VLMs’ susceptibility to data poisoning attacks that can manipulate responses to innocuous, everyday prompts. We introduce Shadowcast, a stealthy data poisoning attack where poison samples are visually indistinguishable from benign images with matching texts. Shadowcast demonstrates effectiveness in two attack types. The first is a traditional Label Attack, tricking VLMs into misidentifying class labels, such as confusing Donald Trump for Joe Biden. The second is a novel Persuasion Attack, leveraging VLMs’ text generation capabilities to craft persuasive and seemingly rational narratives for misinformation, such as portraying junk food as healthy. We show that Shadowcast effectively achieves the attacker’s intentions using as few as 50 poison samples. Crucially, the poisoned samples demonstrate transferability across different VLM architectures, posing a significant concern in black-box settings. Moreover, Shadowcast remains potent under realistic conditions involving various text prompts, training data augmentation, and image compression techniques. This work reveals how poisoned VLMs can disseminate convincing yet deceptive misinformation to everyday, benign users, emphasizing the importance of data integrity for responsible VLM deployments. Our code is available at: https://github.com/umd-huang-lab/VLM-Poisoning.

Generative Models

Peter Holderrieth, Yilun Xu, Tommi Jaakkola

Classical Hamiltonian mechanics has been widely used in machine learning in the form of Hamiltonian Monte Carlo for applications with predetermined force fields. In this paper, we explore the potential of deliberately designing force fields for Hamiltonian systems, introducing Hamiltonian velocity predictors (HVPs) as a core tool for constructing energy-based and generative models. We present two innovations: Hamiltonian Score Matching (HSM), which utilizes score functions to augment data by simulating Hamiltonian trajectories, and Hamiltonian Generative Flows (HGFs), a novel generative model that encompasses diffusion models and OT-flow matching as HGFs with zero force fields. We showcase the extended design space of force fields by introducing Oscillation HGFs, a generative model inspired by harmonic oscillators. Our experiments demonstrate that HSM and HGFs rival leading score-matching and generative modeling techniques. Overall, our work systematically elucidates the synergy between Hamiltonian dynamics, force fields, and generative models, thereby opening new avenues for applications of machine learning in physical sciences and dynamical systems.

Miscellaneous Aspects of Machine Learning · Representation Learning

Jie Wang, Tingfa Xu, Lihe Ding, Jianan Li

Achieving robust 3D perception in the face of corrupted data presents an challenging hurdle within 3D vision research. Contemporary transformer-based point cloud recognition models, albeit advanced, tend to overfit to specific patterns, consequently undermining their robustness against corruption. In this work, we introduce the Target-Guided Adversarial Point Cloud Transformer, termed APCT, a novel architecture designed to augment global structure capture through an adversarial feature erasing mechanism predicated on patterns discerned at each step during training. Specifically, APCT integrates an Adversarial Significance Identifier and a Target-guided Promptor. The Adversarial Significance Identifier, is tasked with discerning token significance by integrating global contextual analysis, utilizing a structural salience index algorithm alongside an auxiliary supervisory mechanism. The Target-guided Promptor, is responsible for accentuating the propensity for token discard within the self-attention mechanism, utilizing the value derived above, consequently directing the model attention towards alternative segments in subsequent stages. By iteratively applying this strategy in multiple steps during training, the network progressively identifies and integrates an expanded array of object-associated patterns. Extensive experiments demonstrate that our method achieves state-of-the-art results on multiple corruption benchmarks.

Data-centric AI · Data augmentation

Hang Zhou, Yehui Tang, Haochen Qin, Yujie Yang, Renren Jin, Deyi Xiong, Kai Han, Yunhe Wang

The efficacy of large language models (LLMs) on downstream tasks usually hinges on instruction tuning, which relies critically on the quality of training data. Unfortunately, collecting high-quality and diverse data is both expensive and time-consuming. To mitigate this issue, we propose a novel Star-Agents framework, which automates the enhancement of data quality across datasets through multi-agent collaboration and assessment. The framework adopts a three-pronged strategy. It initially generates diverse instruction data with multiple LLM agents through a bespoke sampling method. Subsequently, the generated data undergo a rigorous evaluation using a dual-model method that assesses both difficulty and quality. Finaly, the above process evolves in a dynamic refinement phase, where more effective LLMs are prioritized, enhancing the overall data quality. Our empirical studies, including instruction tuning experiments with models such as Pythia and LLaMA, demonstrate the effectiveness of the proposed framework. Optimized datasets have achieved substantial improvements, with an average increase of 12\% and notable gains in specific metrics, such as a 40\% improvement in Fermi, as evidenced by benchmarks like MT-bench, Vicuna bench, and WizardLM testset. Codes will be released soon.

Data-centric AI · Data augmentation

Andrei Margeloiu, Xiangjian Jiang, Nikola Simidjievski, Mateja Jamnik

Data collection is often difficult in critical fields such as medicine, physics, and chemistry, yielding typically only small tabular datasets. However, classification methods tend to struggle with these small datasets, leading to poor predictive performance. Increasing the training set with additional synthetic data, similar to data augmentation in images, is commonly believed to improve downstream tabular classification performance. However, current tabular generative methods that learn either the joint distribution $ p(\mathbf{x}, y) $ or the class-conditional distribution $ p(\mathbf{x} \mid y) $ often overfit on small datasets, resulting in poor-quality synthetic data, usually worsening classification performance compared to using real data alone. To solve these challenges, we introduce TabEBM, a novel class-conditional generative method using Energy-Based Models (EBMs). Unlike existing tabular methods that use a shared model to approximate all class-conditional densities, our key innovation is to create distinct EBM generative models for each class, each modelling its class-specific data distribution individually. This approach creates robust energy landscapes, even in ambiguous class distributions. Our experiments show that TabEBM generates synthetic data with higher quality and better statistical fidelity than existing methods. When used for data augmentation, our synthetic data consistently leads to improved classification performance across diverse datasets of various sizes, especially small ones. Code is available at https://github.com/andreimargeloiu/TabEBM.

Data-centric AI · Data augmentation

Yunan Lu, Xiuyi Jia

Label distribution learning is a powerful learning paradigm to deal with label polysemy and has been widely applied in many practical tasks. A significant obstacle to the effective utilization of label distribution is the substantial expenses of accurate quantifying the label distributions. To tackle this challenge, label enhancement methods automatically infer label distributions from more easily accessible multi-label data based on binary annotations. However, the binary annotation of multi-label data requires experts to accurately assess whether each label can describe the instance, which may diminish the annotating efficiency and heighten the risk of erroneous annotation since the relationship between the label and the instance is unclear in many practical scenarios. Therefore, we propose to predict label distribution from ternary labels, allowing experts to annotate labels in a three-way annotation scheme. They can annotate the label as "$0$" indicating "uncertain relevant" if it is difficult to definitively determine whether the label can describe the instance, in addition to the binary annotation of "$1$" indicating "definitely relevant" and "$-1$" indicating "definitely irrelevant". Both the theoretical and methodological studies are conducted for the proposed learning paradigm. In the theoretical part, we conduct a quantitative comparison of approximation error between ternary and binary labels to elucidate the superiority of ternary labels over binary labels. In the methodological part, we propose a Categorical distribution with monotonicity and orderliness to model the mapping from label description degrees to ternary labels, which can serve as a loss function or as a probability distribution, allowing most existing label enhancement methods to be adapted to our task. Finally, we experimentally demonstrate the effectiveness of our proposal.

Boshi Wang, Xiang Yue, Yu Su, Huan Sun

We study whether transformers can learn to *implicitly* reason over parametric knowledge, a skill that even the most capable language models struggle with. Focusing on two representative reasoning types, composition and comparison, we consistently find that transformers *can* learn implicit reasoning, but only through *grokking*, i.e., extended training far beyond overfitting. The levels of generalization also vary across reasoning types: when faced with out-of-distribution examples, transformers fail to systematically generalize for composition but succeed for comparison. We delve into the model's internals throughout training, conducting analytical experiments that reveal: 1) the mechanism behind grokking, such as the formation of the generalizing circuit and its relation to the relative efficiency of generalizing and memorizing circuits, and 2) the connection between systematicity and the configuration of the generalizing circuit. Our findings guide data and training setup to better induce implicit reasoning and suggest potential improvements to the transformer architecture, such as encouraging cross-layer knowledge sharing. Furthermore, we demonstrate that for a challenging reasoning task with a large search space, GPT-4-Turbo and Gemini-1.5-Pro based on non-parametric memory fail badly regardless of prompting styles or retrieval augmentation, while a fully grokked transformer can achieve near-perfect accuracy, showcasing the power of parametric memory for complex reasoning.

Computer Vision · Classification

Kunyu Peng, Di Wen, Kailun Yang, Ao Luo, Yufan Chen, Jia Fu, M. Saquib Sarfraz, Alina Roitberg, Rainer Stiefelhagen

In Open-Set Domain Generalization (OSDG), the model is exposed to both new variations of data appearance (domains) and open-set conditions, where both known and novel categories are present at test time. The challenges of this task arise from the dual need to generalize across diverse domains and accurately quantify category novelty, which is critical for applications in dynamic environments. Recently, meta-learning techniques have demonstrated superior results in OSDG, effectively orchestrating the meta-train and -test tasks by employing varied random categories and predefined domain partition strategies. These approaches prioritize a well-designed training schedule over traditional methods that focus primarily on data augmentation and the enhancement of discriminative feature learning. The prevailing meta-learning models in OSDG typically utilize a predefined sequential domain scheduler to structure data partitions. However, a crucial aspect that remains inadequately explored is the influence brought by strategies of domain schedulers during training. In this paper, we observe that an adaptive domain scheduler benefits more in OSDG compared with prefixed sequential and random domain schedulers. We propose the Evidential Bi-Level Hardest Domain Scheduler (EBiL-HaDS) to achieve an adaptive domain scheduler. This method strategically sequences domains by assessing their reliabilities in utilizing a follower network, trained with confidence scores learned in an evidential manner, regularized by max rebiasing discrepancy, and optimized in a bilevel manner. We verify our approach on three OSDG benchmarks, i.e., PACS, DigitsDG, and OfficeHome. The results show that our method substantially improves OSDG performance and achieves more discriminative embeddings for both the seen and unseen categories, underscoring the advantage of a judicious domain scheduler for the generalizability to unseen domains and unseen categories. The source code is publicly available at https://github.com/KPeng9510/EBiL-HaDS.

Trustworthy Machine Learning

zheng zhang, Wei Song, Qi Liu, Qingyang Mao, Yiyan Wang, Weibo Gao, Zhenya Huang, Shijin Wang, Enhong Chen

Intelligent education stands as a prominent application of machine learning. Within this domain, cognitive diagnosis (CD) is a key research focus that aims to diagnose students' proficiency levels in specific knowledge concepts. As a crucial task within the field of education, cognitive diagnosis encompasses two fundamental requirements: accuracy and fairness. Existing studies have achieved significant success by primarily utilizing observed historical logs of student-exercise interactions. However, real-world scenarios often present a challenge, where a substantial number of students engage with a limited number of exercises. This data sparsity issue can lead to both inaccurate and unfair diagnoses. To this end, we introduce a monotonic data augmentation framework, CMCD, to tackle the data sparsity issue and thereby achieve accurate and fair CD results. Specifically, CMCD integrates the monotonicity assumption, a fundamental educational principle in CD, to establish two constraints for data augmentation. These constraints are general and can be applied to the majority of CD backbones. Furthermore, we provide theoretical analysis to guarantee the accuracy and convergence speed of CMCD. Finally, extensive experiments on real-world datasets showcase the efficacy of our framework in addressing the data sparsity issue with accurate and fair CD results.

Generative Models · Reasoning

Si-An Chen, Lesly Miculicich, Julian Eisenschlos, Zifeng Wang, Zilong Wang, Yanfei Chen, YASUHISA FUJII, Hsuan-Tien Lin, Chen-Yu Lee, Tomas Pfister

Recent advancements in language models (LMs) have notably enhanced their ability to reason with tabular data, primarily through program-aided mechanisms that manipulate and analyze tables.However, these methods often require the entire table as input, leading to scalability challenges due to the positional bias or context length constraints.In response to these challenges, we introduce TableRAG, a Retrieval-Augmented Generation (RAG) framework specifically designed for LM-based table understanding.TableRAG leverages query expansion combined with schema and cell retrieval to pinpoint crucial information before providing it to the LMs.This enables more efficient data encoding and precise retrieval, significantly reducing prompt lengths and mitigating information loss.We have developed two new million-token benchmarks from the Arcade and BIRD-SQL datasets to thoroughly evaluate TableRAG's effectiveness at scale.Our results demonstrate that TableRAG's retrieval design achieves the highest retrieval quality, leading to the new state-of-the-art performance on large-scale table understanding.

Botos Csaba, Wenxuan Zhang, Matthias Müller, Ser Nam Lim, Philip Torr, Adel Bibi

Online continual learning, the process of training models on streaming data, has gained increasing attention in recent years. However, a critical aspect often overlooked is the label delay, where new data may not be labeled due to slow and costly annotation processes. We introduce a new continual learning framework with explicit modeling of the label delay between data and label streams over time steps. In each step, the framework reveals both unlabeled data from the current time step t and labels delayed with d steps, from the time step t−d. In our extensive experiments amounting to 1060 GPU days, we show that merely augmenting the computational resources is insufficient to tackle this challenge. Our findings underline a notable performance decline when solely relying on labeled data when the label delay becomes significant. More surprisingly, when using state-of-the-art SSL and TTA techniques to utilize the newer, unlabeled data, they fail to surpass the performance of a naïve method that simply trains on the delayed supervised stream. To this end, we introduce a simple, efficient baseline that rehearses from the labeled memory samples that are most similar to the new unlabeled samples. This method bridges the accuracy gap caused by label delay without significantly increasing computational complexity. We show experimentally that our method is the least affected by the label delay factor and in some cases successfully recovers the accuracy of the non-delayed counterpart. We conduct various ablations and sensitivity experiments, demonstrating the effectiveness of our approach.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Yilang Zhang, Alireza Sadeghi, Georgios Giannakis

Meta-learning empowers data-hungry deep neural networks to rapidly learn from merely a few samples, which is especially appealing to tasks with small datasets. Critical in this context is the *prior knowledge* accumulated from related tasks. Existing meta-learning approaches typically rely on preselected priors, such as a Gaussian probability density function (pdf). The limited expressiveness of such priors however, hinders the enhanced performance of the trained model when dealing with tasks having exceedingly scarce data. Targeting improved expressiveness, this contribution introduces a *data-driven* prior that optimally fits the provided tasks using a novel non-injective change-of-variable (NCoV) model. Unlike preselected prior pdfs with fixed shapes, the advocated NCoV model can effectively approximate a considerably wide range of pdfs. Moreover, compared to conventional change-of-variable models, the introduced NCoV exhibits augmented expressiveness for pdf modeling, especially in high-dimensional spaces. Theoretical analysis underscores the appealing universal approximation capacity of the NCoV model. Numerical experiments conducted on three few-shot learning datasets validate the superiority of data-driven priors over the prespecified ones, showcasing its pronounced effectiveness when dealing with extremely limited data resources.

Data-centric AI · Data augmentation

Li Liu, Diji Yang, Sijia Zhong, Kalyana Suma Sree Tholeti, Lei Ding, Yi Zhang, Leilani Gilpin

In question-answering scenarios, humans can assess whether the available information is sufficient and seek additional information if necessary, rather than providing a forced answer. In contrast, Vision Language Models (VLMs) typically generate direct, one-shot responses without evaluating the sufficiency of the information. To investigate this gap, we identify a critical and challenging task in the Visual Question Answering (VQA) scenario: can VLMs indicate how to adjust an image when the visual information is insufficient to answer a question? This capability is especially valuable for assisting visually impaired individuals who often need guidance to capture images correctly. To evaluate this capability of current VLMs, we introduce a human-labeled dataset as a benchmark for this task. Additionally, we present an automated framework that generates synthetic training data by simulating ``where to know'' scenarios. Our empirical results show significant performance improvements in mainstream VLMs when fine-tuned with this synthetic data. This study demonstrates the potential to narrow the gap between information assessment and acquisition in VLMs, bringing their performance closer to humans.