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Deep Learning · Large Language Models

Roman Abramov, Felix Steinbauer, Gjergji Kasneci

Transformers have achieved great success in numerous NLP tasks but continue to exhibit notable gaps in multi-step factual reasoning, especially when real-world knowledge is sparse. Recent advances in grokking have demonstrated that neural networks can transition from memorizing to perfectly generalizing once they detect underlying logical patterns -- yet these studies have primarily used small, synthetic tasks. In this paper, for the first time, we extend grokking to real-world factual data and address the challenge of dataset sparsity by augmenting existing knowledge graphs with carefully designed synthetic data to raise the ratio $\phi_r$ of inferred facts to atomic facts above the threshold required for grokking. Surprisingly, we find that even factually incorrect synthetic data can strengthen emergent reasoning circuits rather than degrade accuracy, as it forces the model to rely on relational structure rather than memorization. When evaluated on multi-hop reasoning benchmarks, our approach achieves up to 95--100\% accuracy on 2WikiMultiHopQA -- substantially improving over strong baselines and matching or exceeding current state-of-the-art results. We further provide an in-depth analysis of how increasing $\phi_r$ drives the formation of generalizing circuits inside Transformers. Our findings suggest that grokking-based data augmentation can unlock implicit multi-hop reasoning capabilities, opening the door to more robust and interpretable factual reasoning in large-scale language models.

Deep Learning · Generative Models and Autoencoders

Wonkwang Lee, Jongwon Jeong, Taehong Moon, Hyeon-Jong Kim, Jaehyeon Kim, Gunhee Kim, Byeong-Uk Lee

Motion synthesis for diverse object categories holds great potential for 3D content creation but remains underexplored due to two key challenges: (1) the lack of comprehensive motion datasets that include a wide range of high-quality motions and annotations, and (2) the absence of methods capable of handling heterogeneous skeletal templates from diverse objects.To address these challenges, we contribute the following:First, we augment the Truebones Zoo dataset—a high-quality animal motion dataset covering over 70 species—by annotating it with detailed text descriptions, making it suitable for text-based motion synthesis.Second, we introduce rig augmentation techniques that generate diverse motion data while preserving consistent dynamics, enabling models to adapt to various skeletal configurations.Finally, we redesign existing motion diffusion models to dynamically adapt to arbitrary skeletal templates, enabling motion synthesis for a diverse range of objects with varying structures.Experiments show that our method learns to generate high-fidelity motions from textual descriptions for diverse and even unseen objects, setting a strong foundation for motion synthesis across diverse object categories and skeletal templates.Qualitative results are available on this [link](https://t2m4lvo.github.io).

General Machine Learning · Representation Learning

Jian Bi, Qianliang Wu, Xiang Li, Shuo Chen, Jianjun Qian, lei luo, Jian Yang

Data augmentation has been widely used in machine learning. Its main goal is to transform and expand the original data using various techniques, creating a more diverse and enriched training dataset. However, due to the disorder and irregularity of point clouds, existing methods struggle to enrich geometric diversity and maintain topological consistency, leading to imprecise point cloud understanding. In this paper, we propose SinPoint, a novel method designed to preserve the topological structure of the original point cloud through a homeomorphism. It utilizes the Sine function to generate smooth displacements. This simulates object deformations, thereby producing a rich diversity of samples. In addition, we propose a Markov chain Augmentation Process to further expand the data distribution by combining different basic transformations through a random process. Our extensive experiments demonstrate that our method consistently outperforms existing Mixup and Deformation methods on various benchmark point cloud datasets, improving performance for shape classification and part segmentation tasks. Specifically, when used with PointNet++ and DGCNN, our method achieves a state-of-the-art accuracy of 90.2 in shape classification with the real-world ScanObjectNN dataset. We release the code at https://github.com/CSBJian/SinPoint.

Theory · Deep Learning

Philipp Misof, Pan Kessel, Jan Gerken

Little is known about the training dynamics of equivariant neural networks, in particular how it compares to data augmented training of their non-equivariant counterparts. Recently, neural tangent kernels (NTKs) have emerged as a powerful tool to analytically study the training dynamics of wide neural networks. In this work, we take an important step towards a theoretical understanding of training dynamics of equivariant models by deriving neural tangent kernels for a broad class of equivariant architectures based on group convolutions. As a demonstration of the capabilities of our framework, we show an interesting relationship between data augmentation and group convolutional networks. Specifically, we prove that they share the same expected prediction over initializations at all training times and even off the data manifold. In this sense, they have the same training dynamics. We demonstrate in numerical experiments that this still holds approximately for finite-width ensembles. By implementing equivariant NTKs for roto-translations in the plane ($G=C_{n}\ltimes\mathbb{R}^{2}$) and 3d rotations ($G=\mathrm{SO}(3)$), we show that equivariant NTKs outperform their non-equivariant counterparts as kernel predictors for histological image classification and quantum mechanical property prediction.

General Machine Learning · Everything Else

Khai Nguyen, Hai Nguyen, Tuan Pham, Nhat Ho

We introduce sliced optimal transport dataset distance (s-OTDD), a model-agnostic, embedding-agnostic approach for dataset comparison that requires no training, is robust to variations in the number of classes, and can handle disjoint label sets. The core innovation is Moment Transform Projection (MTP), which maps a label, represented as a distribution over features, to a real number. Using MTP, we derive a data point projection that transforms datasets into one-dimensional distributions. The s-OTDD is defined as the expected Wasserstein distance between the projected distributions, with respect to random projection parameters. Leveraging the closed form solution of one-dimensional optimal transport, s-OTDD achieves (near-)linear computational complexity in the number of data points and feature dimensions and is independent of the number of classes. With its geometrically meaningful projection, s-OTDD strongly correlates with the optimal transport dataset distance while being more efficient than existing dataset discrepancy measures. Moreover, it correlates well with the performance gap in transfer learning and classification accuracy in data augmentation.

Deep Learning · Large Language Models

Shenao Zhang, Zhihan Liu, Boyi Liu, Yufeng Zhang, Yingxiang Yang, Yongfei Liu, Liyu Chen, Tao Sun, Zhaoran Wang

Preference alignment in Large Language Models (LLMs) has significantly improved their ability to adhere to human instructions and intentions. However, existing direct alignment algorithms primarily focus on relative preferences and often overlook the qualitative aspects of responses, despite having access to preference data that includes reward scores from judge models during AI feedback. Striving to maximize the implicit reward gap between the chosen and the slightly inferior rejected responses can cause overfitting and unnecessary unlearning of the high-quality rejected responses. The unawareness of the reward scores also drives the LLM to indiscriminately favor the low-quality chosen responses and fail to generalize to optimal responses that are sparse in data. To overcome these shortcomings, our study introduces reward-conditioned LLM policies that discern and learn from the entire spectrum of response quality within the dataset, helping extrapolate to more optimal regions. We propose an effective yet simple data relabeling method that conditions the preference pairs on quality scores to construct a reward-augmented dataset. The experiments across various benchmarks and diverse models demonstrate that our approach consistently boosts DPO by a considerable margin. Through comprehensive ablation studies, we demonstrate that our method not only maximizes the utility of preference data but also mitigates the issue of unlearning, demonstrating its broad effectiveness beyond mere data expansion. Our code is available at https://github.com/shenao-zhang/reward-augmented-preference.

Deep Learning · Self-Supervised Learning

Xiaoyu Yang, Lijian Xu, Hongsheng Li, Shaoting Zhang

This paper proposes a scalable and straightforward pre-training paradigm for efficient visual conceptual representation called occluded image contrastive learning (OCL). Our OCL approach is simple: we randomly mask patches to generate different views within an image and contrast them among a mini-batch of images. The core idea behind OCL consists of two designs. First, masked tokens have the potential to significantly diminish the conceptual redundancy inherent in images, and create distinct views with substantial fine-grained differences on the semantic concept level instead of the instance level. Second, contrastive learning is adept at extracting high-level semantic conceptual features during the pre-training, circumventing the high-frequency interference and additional costs associated with image reconstruction. Importantly, OCL learns highly semantic conceptual representations efficiently without relying on hand-crafted data augmentations or additional auxiliary modules. Empirically, OCL demonstrates high scalability with Vision Transformers, as the ViT-L/16 can complete pre-training in 133 hours using only 4 A100 GPUs, achieving 85.8\% accuracy in downstream fine-tuning tasks. Code is available at https://github.com/XiaoyuYoung/OCL.

General Machine Learning · Supervised Learning

Bing Liu, wenjun Miao, Boyu Zhang, Qiankun Zhang, Bin Yuan, Wang, Shenghao Liu, Xianjun Deng

Network quantization, one of the most widely studied model compression methods, effectively quantizes a floating-point model to obtain a fixed-point one with negligible accuracy loss. Although great success was achieved in reducing the model size, it may exacerbate the unfairness in model accuracy across different groups of datasets.This paper considers two widely used algorithms: Post-Training Quantization (PTQ) and Quantization-Aware Training (QAT), with an attempt to understand how they cause this critical issue.Theoretical analysis with empirical verifications reveals two responsible factors, as well as how they influence a metric of fairness in depth.A comparison between PTQ and QAT is then made, explaining an observation that QAT behaves even worse than PTQ in fairness, although it often preserves a higher accuracy at lower bit-widths in quantization.Finally, the paper finds out that several simple data augmentation methods can be adopted to alleviate the disparate impacts of quantization, based on a further observation that class imbalance produces distinct values of the aforementioned factors among different attribute classes. We experiment on either imbalanced (UTK-Face and FER2013) or balanced (CIFAR-10 and MNIST) datasets using ResNet and VGG models for empirical evaluation.

Deep Learning · Graph Neural Networks

Tao Feng, Yexin Wu, Guanyu Lin, Jiaxuan You

World models (WMs) demonstrate strong capabilities in prediction, generation, and planning tasks.Existing WMs primarily focus on unstructured data while cannot leverage the ubiquitous structured data, often represented as graphs, in the digital world. While multiple graph foundation models have been proposed, they focus on graph learning tasks and cannot extend to diverse multi-modal data and interdisciplinary tasks. To address these challenges, we propose the Graph World Model (GWM), a world model that supports both unstructured and graph-structured states with multi-modal information and represents diverse tasks as actions. The core of a GWM is a generic message-passing algorithm to aggregate structured information, either over a unified multi-modal token space by converting multi-modal data into text (GWM-T) or a unified multi-modal embedding space by modality-specific encoders (GWM-E). Notably, GWM introduces action nodes to support diverse tasks, where action nodes are linked to other nodes via direct reference or similarity computation. Extensive experiments on 6 tasks from diverse domains, including multi-modal generation and matching, recommendation, graph prediction, multi-agent, retrieval-augmented generation, and planning and optimization, show that the same GWM outperforms or matches domain-specific baselines' performance, benefits from multi-hop structures, and demonstrate strong zero-shot/few-shot capabilities on unseen new tasks. Our codes for GWM is released at https://github.com/ulab-uiuc/GWM.

Position · Methodology

Patrik Reizinger, Randall Balestriero, David Klindt, Wieland Brendel

Self-Supervised Learning (SSL) powers many current AI systems. As research interest and investment grow, the SSL design space continues to expand. The Platonic view of SSL, following the Platonic Representation Hypothesis (PRH), suggests that despite different methods and engineering approaches, all representations converge to the same Platonic ideal. However, this phenomenon lacks precise theoretical explanation. By synthesizing evidence from Identifiability Theory (IT), we show that the PRH can emerge in SSL. There is a gap between SSL theory and practice: Current IT cannot explain SSL's empirical success, though it has practically relevant insights. Our work formulates a blueprint for SSL research to bridge this gap: we propose expanding IT into what we term Singular Identifiability Theory (SITh), a broader theoretical framework encompassing the entire SSL pipeline. SITh would allow deeper insights into the implicit data assumptions in SSL and advance the field towards learning more interpretable and generalizable representations. We highlight three critical directions for future research: 1) training dynamics and convergence properties of SSL; 2) the impact of finite samples, batch size, and data diversity; and 3) the role of inductive biases in architecture, augmentations, initialization schemes, and optimizers.

Deep Learning · Large Language Models

Yinhong Liu, Zhijiang Guo, Tianya Liang, Ehsan Shareghi, Ivan Vulić, Nigel Collier

Large Language Models (LLMs) are expected to be predictable and trustworthy to support reliable decision-making systems. Yet current LLMs often show inconsistencies in their judgments. In this work, we examine \textit{logical preference consistency} as a foundational requirement for building more dependable LLM systems, ensuring stable and coherent decision-making while minimizing erratic or contradictory outputs.To quantify the logical preference consistency, we propose a universal evaluation framework based on three fundamental properties: *transitivity*, *commutativity* and *negation invariance*.Through extensive experimentation across diverse LLMs, we demonstrate that these properties serve as strong indicators of judgment robustness.Furthermore, we introduce a data refinement and augmentation technique, REPAIR, that enhances logical consistency while maintaining alignment with human preferences. Finally, we show that improving consistency leads to better performance in LLM-driven logic-based algorithms, reinforcing stability and coherence in decision-making systems.

Deep Learning · Large Language Models

Xinyu Zhao, Fangcong Yin, Greg Durrett

Long-context LLMs are increasingly in demand for applications such as retrieval-augmented generation. To defray the cost of pretraining LLMs over long contexts, recent work takes an approach of synthetic context extension: fine-tuning LLMs with synthetically-generated long-context data. However, it remains unclear how and why this synthetic context extension imparts abilities for downstream long-context tasks. In this paper, we investigate fine-tuning on synthetic data for three long-context tasks that require retrieval and reasoning. We vary the realism of "needle'' concepts to be retrieved and diversity of the surrounding "haystack'' context, from using LLMs to construct synthetic documents to using templated relations and creating symbolic datasets. Although models trained on synthetic data underperform models trained on the real data, the impacts of both training settings can be understood via a shared feature of the attention computation, retrieval heads (Wu et al., 2024). The retrieval heads learned from synthetic data have high overlap with retrieval heads learned on real data. Furthermore, there is a strong correlation between the recall of heads learned and the downstream performance of a model, allowing us to interpret and predict the performance of models trained in different settings. Our results shed light on how to interpret synthetic data fine-tuning performance and how to approach creating better data for learning real-world LLM capabilities over long contexts.

Applications · Computer Vision

Laura Zheng, Wenjie Wei, Tony Wu, Jacob Clements, Shreelekha Revankar, Andre Harrison, Yu Shen, Ming Lin

Achieving robustness in image segmentation models is challenging due to the fine-grained nature of pixel-level classification. These models, which are crucial for many real-time perception applications, particularly struggle when faced with natural corruptions in the wild for autonomous systems. While sensitivity analysis can help us understand how input variables influence model outputs, its application to natural and uncontrollable corruptions in training data is computationally expensive. In this work, we present an adaptive, sensitivity-guided augmentation method to enhance robustness against natural corruptions. Our sensitivity analysis on average runs 10 times faster and requires about 200 times less storage than previous sensitivity analysis, enabling practical, on-the-fly estimation during training for a model-free augmentation policy. With minimal fine-tuning, our sensitivity-guided augmentation method achieves improved robustness on both real-world and synthetic datasets compared to state-of-the-art data augmentation techniques in image segmentation.

Deep Learning · Large Language Models

Bernal Jimenez Gutierrez, Yiheng Shu, Weijian Qi, Sizhe Zhou, Yu Su

Our ability to continuously acquire, organize, and leverage knowledge is a key feature of human intelligence that AI systems must approximate to unlock their full potential. Given the challenges in continual learning with large language models (LLMs), retrieval-augmented generation (RAG) has become the dominant way to introduce new information. However, its reliance on vector retrieval hinders its ability to mimic the dynamic and interconnected nature of human long-term memory. Recent RAG approaches augment vectorembeddings with various structures like knowledge graphs to address some of these gaps, namely sense-making and associativity. However, their performance on more basic factual memory tasks drops considerably below standard RAG. We address this unintended deterioration and propose HippoRAG 2, a framework that outperforms standard RAG comprehensively on factual, sense-making, and associative memory tasks. HippoRAG 2 builds upon the Personalized PageRank algorithm used in HippoRAG and enhances it with deeper passage integration and more effective online use of an LLM. This combination pushes this RAG system closer to the effectiveness of human long-term memory, achieving a 7% improvement in associative memory tasks over the state-of-the-art embedding model while also exhibiting superior factual knowledge and sense-making memory capabilities. This work paves the way for non-parametric continual learning for LLMs. Code and data are available at https://github.com/OSU-NLP-Group/HippoRAG.

Theory · Everything Else

Vladimir Braverman, Jon C. Ergun, Chen Wang, Samson Zhou

Hierarchical clustering (HC) is an important data analysis technique in which the goal is to recursively partition a dataset into a tree-like structure while grouping together similar data points at each level of granularity. Unfortunately, for many of the proposed HC objectives, there exist strong barriers to approximation algorithms with the hardness of approximation. We consider the problem of hierarchical clustering given auxiliary information from natural oracles in the learning-augmented framework. Our main results are algorithms that, given learning-augmented oracles, compute efficient approximate HC trees for the celebrated Dasgupta's and Moseley-Wang objectives that overcome known hardness barriers.

Deep Learning · Large Language Models

Luyang Liu, Jonas Pfeiffer, Jiaxing Wu, Jun Xie, Arthur Szlam

Techniques enabling large language models (LLMs) to "think more" by generating and attending to intermediate reasoning steps have shown promise in solving complex problems. However, the standard approaches generate sequences of discrete tokens immediately before responding, and so they can incur significant latency costs and be challenging to optimize. In this work, we demonstrate that a frozen LLM can be augmented with an offline coprocessor that operates on the model's key-value (kv) cache. This coprocessor augments the cache with a set of latent embeddings designed to improve the fidelity of subsequent decoding. We train this coprocessor using the language modeling loss from the decoder on standard pretraining data, while keeping the decoder itself frozen. This approach enables the model to learn, in an end-to-end differentiable fashion, how to distill additional computation into its kv-cache. Because the decoder remains unchanged, the coprocessor can operate offline and asynchronously, and the language model can function normally if the coprocessor is unavailable or if a given cache is deemed not to require extra computation. We show experimentally that when a cache is augmented, the decoder achieves lower perplexity on numerous subsequent tokens. Furthermore, even without any task-specific training, our experiments demonstrate that cache augmentation consistently improves performance across a range of reasoning-intensive tasks.

Deep Learning · Generative Models and Autoencoders

Zhaoyu Zhang, Yang Hua, Guanxiong Sun, Hui Wang, Seán McLoone

Diffusion-based generative models (diffusion models) often require a large amount of data to train a score-based model that learns the score function of the data distribution through denoising score matching. However, collecting and cleaning such data can be expensive, time-consuming, and even infeasible. In this paper, we present a novel theoretical insight for diffusion models that two factors, i.e., the denoiser function hypothesis space and the number of training samples, can affect the denoising score matching error of all training samples. Based on this theoretical insight, it is evident that minimizing the total denoising score matching error is challenging within the denoiser function hypothesis space in existing methods, when training diffusion models with limited data. To address this, we propose a new diffusion model called Limited Data Diffusion (LD-Diffusion), which consists of two main components: a compressing model and a novel mixed augmentation with fixed probability (MAFP) strategy. Specifically, the compressing model can constrain the complexity of the denoiser function hypothesis space and MAFP can effectively increase the training samples by providing more informative guidance than existing data augmentation methods in the compressed hypothesis space. Extensive experiments on several datasets demonstrate that LD-Diffusion can achieve better performance compared to other diffusion models. Codes are available at https://github.com/zzhang05/LD-Diffusion.

Reinforcement Learning · Deep RL

Sumeet Batra, Gaurav Sukhatme

Generalizing vision-based reinforcement learning (RL) agents to novel environments remains a difficult and open challenge. Current trends are to collect large-scale datasets or use data augmentation techniques to prevent overfitting and improve downstream generalization. However, the computational and data collection costs increase exponentially with the number of task variations and can destabilize the already difficult task of training RL agents. In this work, we take inspiration from recent advances in computational neuroscience and propose a model, Associative Latent DisentAnglement (ALDA), that builds on standard off-policy RL towards zero-shot generalization. Specifically, we revisit the role of latent disentanglement in RL and show how combining it with a model of associative memory achieves zero-shot generalization on difficult task variations *without* relying on data augmentation. Finally, we formally show that data augmentation techniques are a form of weak disentanglement and discuss the implications of this insight.

Applications · Time Series

Hao Li, Yu-Hao Huang, Chang Xu, Viktor Schlegel, Renhe Jiang, Riza Batista-Navarro, Goran Nenadic, Jiang Bian

Time-series Generation (TSG) is a prominent research area with broad applications in simulations, data augmentation, and counterfactual analysis. While existing methods have shown promise in unconditional single-domain TSG, real-world applications demand for cross-domain approaches capable of controlled generation tailored to domain-specific constraints and instance-level requirements. In this paper, we argue that text can provide semantic insights, domain information and instance-specific temporal patterns, to guide and improve TSG. We introduce ``Text-Controlled TSG'', a task focused on generating realistic time series by incorporating textual descriptions.To address data scarcity in this setting, we propose a novel LLM-based Multi-Agent framework that synthesizes diverse, realistic text-to-TS datasets. Furthermore, we introduce Bridge, a hybrid text-controlled TSG framework that integrates semantic prototypes with text description for supporting domain-level guidance. This approach achieves state-of-the-art generation fidelity on 11 of 12 datasets, and improves controllability by up to 12% on MSE and 6% MAE compared to no text input generation, highlighting its potential for generating tailored time-series data.

Applications · Health / Medicine

Piyush Lalitkumar Tiwary, Kinjawl Bhattacharyya, Prathosh AP

Medical image segmentation models often struggle to generalize across different domains due to various reasons. Domain Generalization (DG) methods overcome this either through representation learning or data augmentation (DA). While representation learning methods seek domain-invariant features, they often rely on ad-hoc techniques and lack formal guarantees. DA methods, which enrich model representations through synthetic samples, have shown comparable or superior performance to representation learning approaches. We propose LangDAug, a novel **Lang**evin **D**ata **Aug**mentation for multi-source domain generalization in 2D medical image segmentation. LangDAug leverages Energy-Based Models (EBMs) trained via contrastive divergence to traverse between source domains, generating intermediate samples through Langevin dynamics. Theoretical analysis shows that LangDAug induces a regularization effect, and for GLMs, it upper-bounds the Rademacher complexity by the intrinsic dimensionality of the data manifold. Through extensive experiments on Fundus segmentation and 2D MRI prostate segmentation benchmarks, we show that LangDAug outperforms state-of-the-art domain generalization methods and effectively complements existing domain-randomization approaches. The codebase for our method is available at https://github.com/backpropagator/LangDAug.