ICLR 2025 Papers

Code generation models can help improve many common software tasks ranging from code completion to defect prediction. Most of the existing benchmarks for code generation LLMs focus on code authoring or code completion. Surprisingly, there has been far less effort dedicated to benchmarking software testing, despite the strong correlation between well-tested software and effective bug detection. To address this gap, we create and release TestGenEval, a large-scale benchmark to measure test generation performance. Based on SWEBench, TestGenEval comprises 68,647 tests from 1,210 code and test file pairs across 11 well-maintained Python repositories. It covers initial tests authoring, test suite completion, and code coverage improvements. Test authoring simulates the process of a developer writing a test suite from scratch, while test completion mimics the scenario where a developer aims to improve the coverage of an existing test suite. We evaluate several popular models, with sizes ranging from 7B to 405B parameters. Our detailed analysis highlights TestGenEval's contribution to a comprehensive evaluation of test generation performance. In particular, models struggle to generate high-coverage test suites, with the best model, GPT-4o, achieving an average coverage of only 35.2\%. This is primarily due to models struggling to reason about execution, and their frequent assertion errors when addressing complex code paths.

In this paper, we present a 3D visual grounding method called CityAnchor for localizing an urban object in a city-scale point cloud. Recent developments in multiview reconstruction enable us to reconstruct city-scale point clouds but how to conduct visual grounding on such a large-scale urban point cloud remains an open problem. Previous 3D visual grounding system mainly concentrates on localizing an object in an image or a small-scale point cloud, which is not accurate and efficient enough to scale up to a city-scale point cloud. We address this problem with a multi-modality LLM which consists of two stages, a coarse localization and a fine-grained matching. Given the text descriptions, the coarse localization stage locates possible regions on a projected 2D map of the point cloud while the fine-grained matching stage accurately determines the most matched object in these possible regions. We conduct experiments on the CityRefer dataset and a new synthetic dataset annotated by us, both of which demonstrate our method can produce accurate 3D visual grounding on a city-scale 3D point cloud.

Recent advances in Large Language Models (LLMs) have stimulated a significant paradigm shift in evolutionary optimization, where hand-crafted search heuristics are gradually replaced with LLMs serving as intelligent search operators. However, these studies still bear some notable limitations, including a challenge to balance exploitation with exploration, often leading to inferior solution diversity, as well as poor generalizability of problem solving across different task settings. These unsolved issues render the prowess of LLMs in robot design automation largely untapped. In this work, we present LASeR -- Large Language Model-Aided Evolutionary Search for Robot Design Automation. Leveraging a novel reflection mechanism termed DiRect, we elicit more knowledgeable exploratory behaviors from LLMs based on past search trajectories, reshaping the exploration-exploitation tradeoff with dual improvements in optimization efficiency and solution diversity. Additionally, with evolution fully grounded in task-related background information, we unprecedentedly uncover the inter-task reasoning capabilities of LLMs, facilitating generalizable design processes that effectively inspire zero-shot robot proposals for new applications. Our simulated experiments on voxel-based soft robots showcase distinct advantages of LASeR over competitive baselines. Code at https://github.com/WoodySJR/LASeR.

Multimodal Large Language Models (MLLMs) still struggle with hallucinations despite their impressive capabilities. Recent studies have attempted to mitigate this by applying Direct Preference Optimization (DPO) to multimodal scenarios using preference pairs from text-based responses. However, our analysis of representation distributions reveals that multimodal DPO struggles to align image and text representations and to distinguish between hallucinated and non-hallucinated descriptions. To address these challenges, In this work, we propose a Cross-modal Hierarchical Direct Preference Optimization (CHiP) to address these limitations. We introduce a visual preference optimization module within the DPO framework, enabling MLLMs to learn from both textual and visual preferences simultaneously. Furthermore, we propose a hierarchical textual preference optimization module that allows the model to capture preferences at multiple granular levels, including response, segment, and token levels. We evaluate CHiP through both quantitative and qualitative analyses, with results across multiple benchmarks demonstrating its effectiveness in reducing hallucinations. On the Object HalBench dataset, CHiP outperforms DPO in hallucination reduction, achieving improvements of 52.7% and 55.5% relative points based on the base model Muffin and LLaVA models, respectively. We make all our datasets and code publicly available.

Randomized algorithms play a crucial role in efficiently solving large-scale optimization problems. In this paper, we introduce Sketching for Regularized Optimization (SRO), a fast sketching algorithm designed for least squares problems with convex or nonconvex regularization. SRO operates by first creating a sketch of the original data matrix and then solving the sketched problem. We establish minimax optimal rates for sparse signal estimation by addressing the sketched sparse convex and nonconvex learning problems. Furthermore, we propose a novel Iterative SRO algorithm, which reduces the approximation error geometrically for sketched convex regularized problems. To the best of our knowledge, this work is among the first to provide a unified theoretical framework demonstrating minimax rates for convex and nonconvex sparse learning problems via sketching. Experimental results validate the efficiency and effectiveness of both the SRO and Iterative SRO algorithms.

How diffusion models generalize beyond their training set is not known, and is somewhat mysterious given two facts: the optimum of the denoising score matching (DSM) objective usually used to train diffusion models is the score function of the training distribution; and the networks usually used to learn the score function are expressive enough to learn this score to high accuracy. We claim that a certain feature of the DSM objective—the fact that its target is not the training distribution's score, but a noisy quantity only equal to it in expectation—strongly impacts whether and to what extent diffusion models generalize. In this paper, we develop a mathematical theory that partly explains this 'generalization through variance' phenomenon. Our theoretical analysis exploits a physics-inspired path integral approach to compute the distributions typically learned by a few paradigmatic under- and overparameterized diffusion models. We find that the distributions diffusion models effectively learn to sample from resemble their training distributions, but with `gaps' filled in, and that this inductive bias is due to the covariance structure of the noisy target used during training. We also characterize how this inductive bias interacts with feature-related inductive biases.

Black swan events are statistically rare occurrences that carry extremely high risks. A typical view of defining black swan events is heavily assumed to originate from an unpredictable time-varying environments; however, the community lacks a comprehensive definition of black swan events. To this end, this paper challenges that the standard view is incomplete and claims that high-risk, statistically rare events can also occur in unchanging environments due to human misperception of their value and likelihood, which we call as spatial black swan event. We first carefully categorize black swan events, focusing on spatial black swan events, and mathematically formalize the definition of black swan events. We hope these definitions can pave the way for the development of algorithms to prevent such events by rationally correcting human perception.

Scaling language models to larger and deeper sizes has led to significant boosts in performance. Even though the size of these models limits their application in compute-constrained environments, the race to continually develop ever larger and deeper foundational models is underway. At the same time---regardless of the model size---task-specific techniques continue to play a pivotal role in achieving optimal downstream performance. One of these techniques, called Chain-of-Thought (CoT), is particularly interesting since, as we point out in this work, it resembles employing a deeper transformer through re-applying the model multiple times. However, a key subtlety in computing the attention of past tokens differentiates CoT from simply applying the model several times. Based on this insight, we propose CoTFormer, a novel architecture which closely mimics CoT at the token level, allowing us to obtain significantly improved accuracies close to much larger models. While applying CoT introduces additional computation costs, we compensate for it by leveraging CoTFormer's special compatibility with token-wise variable depth. Through a compute adaptive model---which automatically allocates the compute to tokens that need it most---we show that it is possible to reduce the computation cost significantly without any reduction in accuracy, and with further compute cost reductions possible while maintaining a competitive accuracy.

360-degree cameras streamline data collection for radiance field 3D reconstruction by capturing comprehensive scene data. However, traditional radiance field methods do not address the specific challenges inherent to 360-degree images. We present SC-OmniGS, a novel self-calibrating omnidirectional Gaussian splatting system for fast and accurate omnidirectional radiance field reconstruction using 360-degree images. Rather than converting 360-degree images to cube maps and performing perspective image calibration, we treat 360-degree images as a whole sphere and derive a mathematical framework that enables direct omnidirectional camera pose calibration accompanied by 3D Gaussians optimization. Furthermore, we introduce a differentiable omnidirectional camera model in order to rectify the distortion of real-world data for performance enhancement. Overall, the omnidirectional camera intrinsic model, extrinsic poses, and 3D Gaussians are jointly optimized by minimizing weighted spherical photometric loss. Extensive experiments have demonstrated that our proposed SC-OmniGS is able to recover a high-quality radiance field from noisy camera poses or even no pose prior in challenging scenarios characterized by wide baselines and non-object-centric configurations. The noticeable performance gain in the real-world dataset captured by consumer-grade omnidirectional cameras verifies the effectiveness of our general omnidirectional camera model in reducing the distortion of 360-degree images.

Distinguishing between real and AI-generated images, commonly referred to as 'image detection', presents a timely and significant challenge. Despite extensive research in the (semi-)supervised regime, zero-shot and few-shot solutions have only recently emerged as promising alternatives. Their main advantage is in alleviating the ongoing data maintenance, which quickly becomes outdated due to advances in generative technologies. We identify two main gaps: (1) a lack of theoretical grounding for the methods, and (2) significant room for performance improvements in zero-shot and few-shot regimes. Our approach is founded on understanding and quantifying the biases inherent in generated content, where we use these quantities as criteria for characterizing generated images. Specifically, we explore the biases of the implicit probability manifold, captured by a pre-trained diffusion model. Through score-function analysis, we approximate the curvature, gradient, and bias towards points on the probability manifold, establishing criteria for detection in the zero-shot regime. We further extend our contribution to the few-shot setting by employing a mixture-of-experts methodology. Empirical results across 20 generative models demonstrate that our method outperforms current approaches in both zero-shot and few-shot settings. This work advances the theoretical understanding and practical usage of generated content biases through the lens of manifold analysis.

Object-centric representation learning has recently been successfully applied to real-world datasets. This success can be attributed to pretrained non-object-centric foundation models, whose features serve as reconstruction targets for slot attention. However, targets must remain frozen throughout the training, which sets an upper bound on the performance object-centric models can attain. Attempts to update the target encoder by bootstrapping result in large performance drops, which can be attributed to its lack of object-centric inductive biases, causing the object-centric model’s encoder to drift away from representations useful as reconstruction targets. To address these limitations, we propose **O**bject-**CE**ntric Pretraining by Target Encoder **BO**otstrapping, a self-distillation setup for training object-centric models from scratch, on real-world data, for the first time ever. In OCEBO, the target encoder is updated as an exponential moving average of the object-centric model, thus explicitly being enriched with object-centric inductive biases introduced by slot attention while removing the upper bound on performance present in other models. We mitigate the slot collapse caused by random initialization of the target encoder by introducing a novel cross-view patch filtering approach that limits the supervision to sufficiently informative patches. When pretrained on 241k images from COCO, OCEBO achieves unsupervised object discovery performance comparable to that of object-centric models with frozen non-object-centric target encoders pretrained on hundreds of millions of images. The code and pretrained models are publicly available at https://github.com/djukicn/ocebo.

Federated learning claims to enable collaborative model training among multiple clients with data privacy by transmitting gradient updates instead of the actual client data. However, recent studies have shown the client privacy is still at risk due to the, so called, gradient inversion attacks which can precisely reconstruct clients' text and image data from the shared gradient updates. While these attacks demonstrate severe privacy risks for certain domains and architectures, the vulnerability of other commonly-used data types, such as graph-structured data, remain under-explored. To bridge this gap, we present GRAIN, the first exact gradient inversion attack on graph data in the honest-but-curious setting that recovers both the structure of the graph and the associated node features. Concretely, we focus on Graph Convolutional Networks (GCN) and Graph Attention Networks (GAT) -- two of the most widely used frameworks for learning on graphs. Our method first utilizes the low-rank structure of GNN gradients to efficiently reconstruct and filter the client subgraphs which are then joined to complete the input graph. We evaluate our approach on molecular, citation, and social network datasets using our novel metric. We show that GRAIN reconstructs up to 80\% of all graphs exactly, significantly outperforming the baseline, which achieves up to 20\% correctly positioned nodes.

Differential equations provide a dynamical perspective for understanding and designing graph neural networks (GNNs). By generalizing the discrete Ricci flow (DRF) to attributed graphs, we can leverage a new paradigm for the evolution of node features with the help of curvature. We show that in the attributed graphs, DRF guarantees a vital property: The curvature of each edge concentrates toward zero over time. This property leads to two interesting consequences: 1) graph Dirichlet energy with bilateral bounds and 2) data-independent curvature decay rate. Based on these theoretical results, we propose the Graph Neural Ricci Flow (GNRF), a novel curvature-aware continuous-depth GNN. Compared to traditional curvature-based graph learning methods, GNRF is not limited to a specific curvature definition. It computes and adjusts time-varying curvature efficiently in linear time. We also empirically illustrate the operating mechanism of GNRF and verify that it performs excellently on diverse datasets.

Since WGANs were first introduced, there has been considerable debate whether their success in generating realistic images can be attributed to minimizing the Wasserstein distance between the distribution of generated images and the training distribution. In this paper we present theoretical and experimental results that show that successful WGANs {\em do} minimize the Wasserstein distance but the form of the distance that is minimized depends highly on the discriminator architecture and its inductive biases. Specifically, we show that when the discriminator is convolutional, WGANs minimize the Wasserstein distance between {\em patches} in the generated images and the training images, not the Wasserstein distance between images. Our results are obtained by considering {\em discrete} generators for which the Wasserstein distance between the generator distribution and the training distribution can be computed exactly and the minimum can be characterized analytically. We present experimental results with discrete GANs that generate realistic fake images (comparable in quality to their continuous counterparts) and present evidence that they are minimizing the Wasserstein distance between real and fake patches and not the distance between real and fake images.

There have been extensive studies on learning in zero-sum games, focusing on the analysis of the existence and algorithmic convergence of Nash equilibrium (NE). Existing studies mainly focus on symmetric games where the strategy spaces of the players are of the same type and size. For the few studies that do consider asymmetric games, they are mostly restricted to matrix games. In this paper, we define and study a new practical class of asymmetric games called two-player Asymmetric Combinatorial-Continuous zEro-Sum (ACCES) games, featuring a combinatorial action space for one player and an infinite compact space for the other. Such ACCES games have broad implications in the real world, particularly in combinatorial optimization problems (COPs) where one player optimizes a solution in a combinatorial space, and the opponent plays against it in an infinite (continuous) compact space (e.g., a nature player deciding epistemic parameters of the environmental model). Our first key contribution is to prove the existence of NE for two-player ACCES games, using the idea of essentially finite game approximation. Building on the theoretical insights and double oracle (DO)-based solutions to complex zero-sum games, our second contribution is to design the novel algorithm, Combinatorial Continuous DO (CCDO), to solve ACCES games, and prove the convergence of the proposed algorithm. Considering the NP-hardness of most COPs and recent advancements in reinforcement learning (RL)-based solutions to COPs, our third contribution is to propose a practical algorithm to solve NE in the real world, CCDORL (based on CCDO) and provide the novel convergence analysis in the ACCES game. Experimental results across diverse instances of COPs demonstrate the empirical effectiveness of our algorithms.

Generative models can now produce photorealistic synthetic data which is virtually indistinguishable from the real data used to train it. This is a significant evolution over previous models which could produce reasonable facsimiles of the training data, but ones which could be visually distinguished from the training data by human evaluation. Recent work on OOD detection has raised doubts that generative model likelihoods are optimal OOD detectors due to issues involving likelihood misestimation, entropy in the generative process, and typicality. We speculate that generative OOD detectors also failed because their models focused on the pixels rather than the semantic content of the data, leading to failures in near-OOD cases where the pixels may be similar but the information content is significantly different. We hypothesize that estimating typical sets using self-supervised learners leads to better OOD detectors. We introduce a novel approach that leverages representation learning, and informative summary statistics based on manifold estimation, to address all of the aforementioned issues. Our method outperforms other unsupervised approaches and achieves state-of-the art performance on well-established challenging benchmarks, and new synthetic data detection tasks.

Model-based reinforcement learning (RL) offers a solution to the data inefficiency that plagues most model-free RL algorithms. However, learning a robust world model often requires complex and deep architectures, which are computationally expensive and challenging to train. Within the world model, sequence models play a critical role in accurate predictions, and various architectures have been explored, each with its own challenges. Currently, recurrent neural network (RNN)-based world models struggle with vanishing gradients and capturing long-term dependencies. Transformers, on the other hand, suffer from the quadratic memory and computational complexity of self-attention mechanisms, scaling as $O(n^2)$, where $n$ is the sequence length. To address these challenges, we propose a state space model (SSM)-based world model, Drama, specifically leveraging Mamba, that achieves $O(n)$ memory and computational complexity while effectively capturing long-term dependencies and enabling efficient training with longer sequences. We also introduce a novel sampling method to mitigate the suboptimality caused by an incorrect world model in the early training stages. Combining these techniques, Drama achieves a normalised score on the Atari100k benchmark that is competitive with other state-of-the-art (SOTA) model-based RL algorithms, using only a 7 million-parameter world model. Drama is accessible and trainable on off-the-shelf hardware, such as a standard laptop. Our code is available at https://github.com/realwenlongwang/Drama.git.

This work addresses the problem of active 3D mapping, where an agent must find an efficient trajectory to exhaustively reconstruct a new scene. Previous approaches mainly predict the next best view near the agent's location, which is prone to getting stuck in local areas. Additionally, existing indoor datasets are insufficient due to limited geometric complexity and inaccurate ground truth meshes. To overcome these limitations, we introduce a novel dataset AiMDoom with a map generator for the Doom video game, enabling to better benchmark active 3D mapping in diverse indoor environments. Moreover, we propose a new method we call next-best-path (NBP), which predicts long-term goals rather than focusing solely on short-sighted views. The model jointly predicts accumulated surface coverage gains for long-term goals and obstacle maps, allowing it to efficiently plan optimal paths with a unified model. By leveraging online data collection, data augmentation and curriculum learning, NBP significantly outperforms state-of-the-art methods on both the existing MP3D dataset and our AiMDoom dataset, achieving more efficient mapping in indoor environments of varying complexity.

We introduce AnoLLM, a novel framework that leverages large language models (LLMs) for unsupervised tabular anomaly detection. By converting tabular data into a standardized text format, we further adapt a pre-trained LLM with this serialized data, and assign anomaly scores based on the negative log likelihood generated by the LLM. Unlike traditional methods that can require extensive feature engineering, and often lose textual information during data processing, AnoLLM preserves data integrity and streamlines the preprocessing required for tabular anomaly detection. This approach can effectively handle mixed-type data, especially those containing textual features. Our empirical results indicate that AnoLLM delivers the best performance on six benchmark datasets with mixed feature types. Additionally, across 30 datasets from the ODDS library, which are predominantly numerical, AnoLLM performs on par with top performing baselines.