OpenRaiser/Intern-Atlas huggingface dataset:
Graph-based Document Structure Analysis
Venue: Conference ICLR 2025
Year: 2025

When reading a document, glancing at the spatial layout of a document is an initial step to understand it roughly. Traditional document layout analysis (DLA) methods, however, offer only a superficial parsing of documents, focusing on basic instance detection and often failing to capture the nuanced spatial and logical relations between instances. These limitations hinder DLA-based models from achieving a gradually deeper comprehension akin to human reading. In this work, we propose a novel graph-based Document Structure Analysis (gDSA) task. This task requires that model not only detects document elements but also generates spatial and logical relations in form of a graph structure, allowing to understand documents in a holistic and intuitive manner. For this new task, we construct a relation graph-based document structure analysis dataset (GraphDoc) with 80K document images and 4.13M relation annotations, enabling training models to complete multiple tasks like reading order, hierarchical structures analysis, and complex inter-element relation inference. Furthermore, a document relation graph generator (DRGG) is proposed to address the gDSA task, which achieves performance with 57.6% at mAP$_g$@0.5 for a strong benchmark baseline on this novel task and dataset. We hope this graphical representation of document structure can mark an innovative advancement in document structure analysis and understanding. The new dataset and code will be made publicly available at https://yufanchen96.github.io/projects/GraphDoc.
Occlusion-aware Non-Rigid Point Cloud Registration via Unsupervised Neural Deformation Correntropy
Venue: Conference ICLR 2025
Year: 2025

Non-rigid alignment of point clouds is crucial for scene understanding, reconstruction, and various computer vision and robotics tasks. Recent advancements in implicit deformation networks for non-rigid registration have significantly reduced the reliance on large amounts of annotated training data. However, existing state-of-the-art methods still face challenges in handling occlusion scenarios. To address this issue, this paper introduces an innovative unsupervised method called Occlusion-Aware Registration (OAR) for non-rigidly aligning point clouds. The key innovation of our method lies in the utilization of the adaptive correntropy function as a localized similarity measure, enabling us to treat individual points distinctly. In contrast to previous approaches that solely minimize overall deviations between two shapes, we combine unsupervised implicit neural representations with the maximum correntropy criterion to optimize the deformation of unoccluded regions. This effectively avoids collapsed, tearing, and other physically implausible results. Moreover, we present a theoretical analysis and establish the relationship between the maximum correntropy criterion and the commonly used Chamfer distance, highlighting that the correntropy-induced metric can be served as a more universal measure for point cloud analysis. Additionally, we introduce locally linear reconstruction to ensure that regions lacking correspondences between shapes still undergo physically natural deformations. Our method achieves superior or competitive performance compared to existing approaches, particularly when dealing with occluded geometries. We also demonstrate the versatility of our method in challenging tasks such as large deformations, shape interpolation, and shape completion under occlusion disturbances.
Weakly-Supervised Affordance Grounding Guided by Part-Level Semantic Priors
Venue: Conference ICLR 2025
Year: 2025

In this work, we focus on the task of weakly supervised affordance grounding, where a model is trained to identify affordance regions on objects using human-object interaction images and egocentric object images without dense labels. Previous works are mostly built upon class activation maps, which are effective for semantic segmentation but may not be suitable for locating actions and functions. Leveraging recent advanced foundation models, we develop a supervised training pipeline based on pseudo labels. The pseudo labels are generated from an off-the-shelf part segmentation model, guided by a mapping from affordance to part names. Furthermore, we introduce three key enhancements to the baseline model: a label refining stage, a fine-grained feature alignment process, and a lightweight reasoning module. These techniques harness the semantic knowledge of static objects embedded in off-the-shelf foundation models to improve affordance learning, effectively bridging the gap between objects and actions. Extensive experiments demonstrate that the performance of the proposed model has achieved a breakthrough improvement over existing methods. Our codes are available at https://github.com/woyut/WSAG-PLSP .
Accelerating Training with Neuron Interaction and Nowcasting Networks
Venue: Conference ICLR 2025
Year: 2025

Neural network training can be accelerated when a learnable update rule is used in lieu of classic adaptive optimizers (e.g. Adam). However, learnable update rules can be costly and unstable to train and use. Recently, Jang et al. (2023) proposed a simpler approach to accelerate training based on weight nowcaster networks (WNNs). In their approach, Adam is used for most of the optimization steps and periodically, only every few steps, a WNN nowcasts (predicts near future) parameters. We improve WNNs by proposing neuron interaction and nowcasting (NiNo) networks. In contrast to WNNs, NiNo leverages neuron connectivity and graph neural networks to more accurately nowcast parameters. We further show that in some networks, such as Transformers, modeling neuron connectivity accurately is challenging. We address this and other limitations, which allows NiNo to accelerate Adam training by up to 50% in vision and language tasks.
Generalizing Weisfeiler-Lehman Kernels to Subgraphs
Venue: Conference ICLR 2025
Year: 2025

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex interactions within and between subgraphs. To provide a more expressive and efficient alternative, we propose WLKS, a Weisfeiler-Lehman (WL) kernel generalized for subgraphs by applying the WL algorithm on induced $k$-hop neighborhoods. We combine kernels across different $k$-hop levels to capture richer structural information that is not fully encoded in existing models. Our approach can balance expressiveness and efficiency by eliminating the need for neighborhood sampling. In experiments on eight real-world and synthetic benchmarks, WLKS significantly outperforms leading approaches on five datasets while reducing training time, ranging from 0.01x to 0.25x compared to the state-of-the-art.
Open-Set Graph Anomaly Detection via Normal Structure Regularisation
Venue: Conference ICLR 2025
Year: 2025

This paper considers an important Graph Anomaly Detection (GAD) task, namely open-set GAD, which aims to train a detection model using a small number of normal and anomaly nodes (referred to as seen anomalies) to detect both seen anomalies and unseen anomalies (i.e., anomalies that cannot be illustrated the training anomalies). Those labelled training data provide crucial prior knowledge about abnormalities for GAD models, enabling substantially reduced detection errors. However, current supervised GAD methods tend to over-emphasise fitting the seen anomalies, leading to many errors of detecting the unseen anomalies as normal nodes. Further, existing open-set AD models were introduced to handle Euclidean data, failing to effectively capture discriminative features from graph structure and node attributes for GAD. In this work, we propose a novel open-set GAD approach, namely normal structure regularisation (NSReg), to achieve generalised detection ability to unseen anomalies, while maintaining its effectiveness on detecting seen anomalies. The key idea in NSReg is to introduce a regularisation term that enforces the learning of compact, semantically-rich representations of normal nodes based on their structural relations to other nodes. When being optimised with supervised anomaly detection losses, the regularisation term helps incorporate strong normality into the modelling, and thus, it effectively avoids over-fitting the seen anomalies and learns a better normality decision boundary, largely reducing the false negatives of detecting unseen anomalies as normal. Extensive empirical results on seven real-world datasets show that NSReg significantly outperforms state-of-the-art competing methods by at least 14% AUC-ROC on the unseen anomaly classes and by 10% AUC-ROC on all anomaly classes.
DataEnvGym: Data Generation Agents in Teacher Environments with Student Feedback
Venue: Conference ICLR 2025
Year: 2025

The process of creating training data to teach models is currently driven by humans, who manually analyze model weaknesses and plan how to create data that improves a student model. Approaches using LLMs as annotators reduce human effort, but still require humans to interpret feedback from evaluations and control the LLM to produce data the student needs. Automating this labor-intensive process by creating autonomous data generation agents - or teachers - is desirable, but requires environments that can simulate the feedback-driven, iterative, closed loop of data creation. To enable rapid, scalable testing for such agents and their modules, we introduce DataEnvGym, a testbed of teacher environments for data generation agents. DataEnvGym frames data generation as a sequential decision-making task, involving an agent consisting of a data generation policy (which generates a plan for creating training data) and a data generation engine (which transforms the plan into data), inside an environment that provides student feedback. The agent's goal is to improve student performance. Students are iteratively trained and evaluated on generated data, and their feedback (in the form of errors or weak skills) is reported to the agent after each iteration. DataEnvGym includes multiple teacher environment instantiations across 3 levels of structure in the state representation and action space. More structured environments are based on inferred skills and offer more interpretability and curriculum control. We support 4 domains (math, code, VQA, and tool-use) and test multiple students and teachers. Example agents in our teaching environments can iteratively improve students across tasks and settings. Moreover, we show that environments teach different skill levels and test variants of key modules, pointing to future work in improving data generation agents, engines, and feedback mechanisms.
Ward: Provable RAG Dataset Inference via LLM Watermarks
Venue: Conference ICLR 2025
Year: 2025

RAG enables LLMs to easily incorporate external data, raising concerns for data owners regarding unauthorized usage of their content. The challenge of detecting such unauthorized usage remains underexplored, with datasets and methods from adjacent fields being ill-suited for its study. We take several steps to bridge this gap. First, we formalize this problem as (black-box) RAG Dataset Inference (RAG-DI). We then introduce a novel dataset designed for realistic benchmarking of RAG-DI methods, alongside a set of baselines. Finally, we propose Ward, a method for RAG-DI based on LLM watermarks that equips data owners with rigorous statistical guarantees regarding their dataset's misuse in RAG corpora. Ward consistently outperforms all baselines, achieving higher accuracy, superior query efficiency and robustness. Our work provides a foundation for future studies of RAG-DI and highlights LLM watermarks as a promising approach to this problem.
Proxy Denoising for Source-Free Domain Adaptation
Venue: Conference ICLR 2025
Year: 2025

Source-Free Domain Adaptation (SFDA) aims to adapt a pre-trained source model to an unlabeled target domain with no access to the source data. Inspired by the success of large Vision-Language (ViL) models in many applications, the latest research has validated ViL's benefit for SFDA by using their predictions as pseudo supervision. However, we observe that ViL's supervision could be noisy and inaccurate at an unknown rate, introducing additional negative effects during adaption. To address this thus-far ignored challenge, we introduce a novel Proxy Denoising (ProDe) approach. The key idea is to leverage the ViL model as a proxy to facilitate the adaptation process towards the latent domain-invariant space. We design a proxy denoising mechanism to correct ViL's predictions, grounded on a proxy confidence theory that models the dynamic effect of proxy's divergence against the domain-invariant space during adaptation. To capitalize on the corrected proxy, we derive a mutual knowledge distilling regularization. Extensive experiments show that ProDe significantly outperforms current state-of-the-art alternatives under the conventional closed set setting and more challenging open set, partial set, generalized SFDA, multi-target, multi-source, and test-time settings. Our code and data are available at https://github.com/tntek/source-free-domain-adaptation.
Rare event modeling with self-regularized normalizing flows: what can we learn from a single failure?
Venue: Conference ICLR 2025
Year: 2025

Increased deployment of autonomous systems in fields like transportation and robotics have seen a corresponding increase in safety-critical failures. These failures can be difficult to model and debug due to the relative lack of data: compared to tens of thousands of examples from normal operations, we may have only seconds of data leading up to the failure. This scarcity makes it challenging to train generative models of rare failure events, as existing methods risk either overfitting to noise in the limited failure dataset or underfitting due to an overly strong prior. We address this challenge with CalNF, or calibrated normalizing flows, a self-regularized framework for posterior learning from limited data. CalNF achieves state-of-the-art performance on data-limited failure modeling and inverse problems and enables a first-of-a-kind case study into the root causes of the 2022 Southwest Airlines scheduling crisis.
Gnothi Seauton: Empowering Faithful Self-Interpretability in Black-Box Transformers
Venue: Conference ICLR 2025
Year: 2025

The debate between self-interpretable models and post-hoc explanations for black-box models is central to Explainable AI (XAI). Self-interpretable models, such as concept-based networks, offer insights by connecting decisions to human-understandable concepts but often struggle with performance and scalability. Conversely, post-hoc methods like Shapley values, while theoretically robust, are computationally expensive and resource-intensive. To bridge the gap between these two lines of research, we propose a novel method that combines their strengths, providing theoretically guaranteed self-interpretability for black-box models without compromising prediction accuracy. Specifically, we introduce a parameter-efficient pipeline, AutoGnothi, which integrates a small side network into the black-box model, allowing it to generate Shapley value explanations without changing the original network parameters. This side-tuning approach significantly reduces memory, training, and inference costs, outperforming traditional parameter-efficient methods, where full fine-tuning serves as the optimal baseline. AutoGnothi enables the black-box model to predict and explain its predictions with minimal overhead. Extensive experiments show that AutoGnothi offers accurate explanations for both vision and language tasks, delivering superior computational efficiency with comparable interpretability.
Hierarchical World Models as Visual Whole-Body Humanoid Controllers
Venue: Conference ICLR 2025
Year: 2025

Whole-body control for humanoids is challenging due to the high-dimensional nature of the problem, coupled with the inherent instability of a bipedal morphology. Learning from visual observations further exacerbates this difficulty. In this work, we explore highly data-driven approaches to visual whole-body humanoid control based on reinforcement learning, without any simplifying assumptions, reward design, or skill primitives. Specifically, we propose a hierarchical world model in which a high-level agent generates commands based on visual observations for a low-level agent to execute, both of which are trained with rewards. Our approach produces highly performant control policies in 8 tasks with a simulated 56-DoF humanoid, while synthesizing motions that are broadly preferred by humans.
Remove Symmetries to Control Model Expressivity and Improve Optimization
Venue: Conference ICLR 2025
Year: 2025

When symmetry is present in the loss function, the model is likely to be trapped in a low-capacity state that is sometimes known as a "collapse". Being trapped in these low-capacity states can be a major obstacle to training across many scenarios where deep learning technology is applied. We first prove two concrete mechanisms through which symmetries lead to reduced capacities and ignored features during training and inference. We then propose a simple and theoretically justified algorithm, syre, to remove almost all symmetry-induced low-capacity states in neural networks. When this type of entrapment is especially a concern, removing symmetries with the proposed method is shown to correlate well with improved optimization or performance. A remarkable merit of the proposed method is that it is model-agnostic and does not require any knowledge of the symmetry.
Q-Adapter: Customizing Pre-trained LLMs to New Preferences with Forgetting Mitigation
Venue: Conference ICLR 2025
Year: 2025

Large Language Models (LLMs), trained on a large amount of corpus, have demonstrated remarkable abilities. However, it may not be sufficient to directly apply open-source LLMs like Llama to certain real-world scenarios, since most of them are trained for \emph{general} purposes. Thus, the demands for customizing publicly available LLMs emerge, but are currently under-studied. In this work, we consider customizing pre-trained LLMs with new human preferences. Specifically, the LLM should not only meet the new preference but also preserve its original capabilities after customization. Drawing inspiration from the observation that human preference can be expressed as a reward model, we propose to cast LLM customization as optimizing the sum of two reward functions, one of which (denoted as $r_1$) was used to pre-train the LLM while the other (denoted as $r_2$) characterizes the new human preference. The obstacle here is that both reward functions are unknown, making the application of modern reinforcement learning methods infeasible. Thanks to the residual Q-learning framework, we can restore the customized LLM with the pre-trained LLM and the \emph{residual Q-function} without the reward function $r_1$. Moreover, we find that for a fixed pre-trained LLM, the reward function $r_2$ can be derived from the residual Q-function, enabling us to directly learn the residual Q-function from the new human preference data upon the Bradley-Terry model. We name our method Q-Adapter as it introduces an adapter module to approximate the residual Q-function for customizing the pre-trained LLM towards the new preference. Experiments based on the Llama-3.1 model on the DSP dataset and HH-RLHF dataset illustrate the superior effectiveness of Q-Adapter on both retaining existing knowledge and learning new preferences. Code is available at https://github.com/mansicer/Q-Adapter.
Mind the Gap: Examining the Self-Improvement Capabilities of Large Language Models
Venue: Conference ICLR 2025
Year: 2025

Self-improvement is a mechanism in Large Language Model (LLM) pre-training, post-training and test-time inference. We explore a framework where the model verifies its own outputs, filters or reweights data based on this verification, and distills the filtered data. Despite several empirical successes, a fundamental understanding is still lacking. In this work, we initiate a comprehensive, modular and controlled study on LLM self-improvement. We provide a mathematical formulation for self-improvement, which is largely governed by a quantity which we formalize as the generation-verification gap. Through experiments with various model families and tasks, we discover a scaling phenomenon of self-improvement -- a variant of the generation-verification gap scales monotonically with the model pre-training flops. We also examine when self-improvement is possible, an iterative self-improvement procedure, and ways to improve its performance. Our findings not only advance understanding of LLM self-improvement with practical implications, but also open numerous avenues for future research into its capabilities and boundaries.
RRM: Robust Reward Model Training Mitigates Reward Hacking
Venue: Conference ICLR 2025
Year: 2025

Reward models (RMs) play a pivotal role in aligning large language models (LLMs) with human preferences. However, traditional RM training, which relies on response pairs tied to specific prompts, struggles to disentangle prompt-driven preferences from prompt-independent artifacts, such as response length and format. In this work, we expose a fundamental limitation of current RM training methods, where RMs fail to effectively distinguish between contextual signals and irrelevant artifacts when determining preferences. To address this, we introduce a causal framework that learns preferences independent of these artifacts and propose a novel data augmentation technique designed to eliminate them. Extensive experiments show that our approach successfully filters out undesirable artifacts, yielding a more robust reward model (RRM). Our RRM improves the performance of a pairwise reward model trained on Gemma-2-9b-it, on RewardBench, increasing accuracy from 80.61% to 84.15%. Additionally, we train two DPO policies using both the RM and RRM, demonstrating that the RRM significantly enhances DPO-aligned policies, improving MT-Bench scores from 7.27 to 8.31 and length-controlled win-rates in AlpacaEval-2 from 33.46% to 52.49%.
SpaceGNN: Multi-Space Graph Neural Network for Node Anomaly Detection with Extremely Limited Labels
Venue: Conference ICLR 2025
Year: 2025

Node Anomaly Detection (NAD) has gained significant attention in the deep learning community due to its diverse applications in real-world scenarios. Existing NAD methods primarily embed graphs within a single Euclidean space, while overlooking the potential of non-Euclidean spaces. Besides, to address the prevalent issue of limited supervision in real NAD tasks, previous methods tend to leverage synthetic data to collect auxiliary information, which is not an effective solution as shown in our experiments. To overcome these challenges, we introduce a novel SpaceGNN model designed for NAD tasks with extremely limited labels. Specifically, we provide deeper insights into a task-relevant framework by empirically analyzing the benefits of different spaces for node representations, based on which, we design a Learnable Space Projection function that effectively encodes nodes into suitable spaces. Besides, we introduce the concept of weighted homogeneity, which we empirically and theoretically validate as an effective coefficient during information propagation. This concept inspires the design of the Distance Aware Propagation module. Furthermore, we propose the Multiple Space Ensemble module, which extracts comprehensive information for NAD under conditions of extremely limited supervision. Our findings indicate that this module is more beneficial than data augmentation techniques for NAD. Extensive experiments conducted on 9 real datasets confirm the superiority of SpaceGNN, which outperforms the best rival by an average of 8.55% in AUC and 4.31% in F1 scores. Our code is available at https://github.com/xydong127/SpaceGNN.