ICLR 2025 Papers

Autonomous systems for software engineering are now capable of fixing bugs and developing features. These systems are commonly evaluated on SWE-bench (Jimenez et al., 2024a), which assesses their ability to solve software issues from GitHub repositories. However, SWE-bench uses only Python repositories, with problem statements presented predominantly as text and lacking visual elements such as images. This limited coverage motivates our inquiry into how existing systems might perform on unrepresented software engineering domains (e.g., front-end, game development, DevOps), which use different programming languages and paradigms. Therefore, we propose SWE-bench Multimodal (SWE-bench M), to evaluate systems on their ability to fix bugs in visual, user-facing JavaScript software. SWE-bench M features 617 task instances collected from 17 JavaScript libraries used for web interface design, diagramming, data visualization, syntax highlighting, and interactive mapping. Each SWE-bench M task instance contains at least one image in its problem statement or unit tests. Our analysis finds that top-performing SWE-bench systems struggle with SWE-bench M, revealing limitations in visual problem-solving and cross-language generalization. Lastly, we show that SWE-agent’s flexible language-agnostic features enable it to substantially outperform alternatives on SWE-bench M, resolving 12% of task instances compared to 6% for the next best system.

Artificial neural networks often struggle with _catastrophic forgetting_ when learning multiple tasks sequentially, as training on new tasks degrades the performance on previously learned tasks. Recent theoretical work has addressed this issue by analysing learning curves in synthetic frameworks under predefined training protocols. However, these protocols relied on heuristics and lacked a solid theoretical foundation assessing their optimality. In this paper, we fill this gap by combining exact equations for training dynamics, derived using statistical physics techniques, with optimal control methods. We apply this approach to teacher-student models for continual learning and multi-task problems, obtaining a theory for task-selection protocols maximising performance while minimising forgetting. Our theoretical analysis offers non-trivial yet interpretable strategies for mitigating catastrophic forgetting, shedding light on how optimal learning protocols modulate established effects, such as the influence of task similarity on forgetting. Finally, we validate our theoretical findings with experiments on real-world data.

Reconstructing 3D hand-face interactions with deformations from a single image is a challenging yet crucial task with broad applications in AR, VR, and gaming. The challenges stem from self-occlusions during single-view hand-face interactions, diverse spatial relationships between hands and face, complex deformations, and the ambiguity of the single-view setting. The previous state-of-the-art, Decaf, employs a global fitting optimization guided by contact and deformation estimation networks trained on studio-collected data with 3D annotations. However, Decaf suffers from a time-consuming optimization process and limited generalization capability due to its reliance on 3D annotations of hand-face interaction data. To address these issues, we present DICE, the first end-to-end method for Deformation-aware hand-face Interaction reCovEry from a single image. DICE estimates the poses of hands and faces, contacts, and deformations simultaneously using a Transformer-based architecture. It features disentangling the regression of local deformation fields and global mesh vertex locations into two network branches, enhancing deformation and contact estimation for precise and robust hand-face mesh recovery. To improve generalizability, we propose a weakly-supervised training approach that augments the training set using in-the-wild images without 3D ground-truth annotations, employing the depths of 2D keypoints estimated by off-the-shelf models and adversarial priors of poses for supervision. Our experiments demonstrate that DICE achieves state-of-the-art performance on a standard benchmark and in-the- wild data in terms of accuracy and physical plausibility. Additionally, our method operates at an interactive rate (20 fps) on an Nvidia 4090 GPU, whereas Decaf requires more than 15 seconds for a single image. The code will be available at: https://github.com/Qingxuan-Wu/DICE.

Current state-of-the-art text-to-3D generation methods struggle to produce 3D models with fine details and delicate structures due to limitations in differentiable mesh representation techniques. This limitation is particularly pronounced in anime character generation, where intricate features such as fingers, hair, and facial details are crucial for capturing the essence of the characters. In this paper, we introduce a novel, efficient, sparse differentiable mesh representation method, termed SparseCubes, alongside a sparse transformer network designed to generate high-quality 3D models. Our method significantly reduces computational requirements by over 95% and storage memory by 50%, enabling the creation of higher resolution meshes with enhanced details and delicate structures. We validate the effectiveness of our approach through its application to text-to-3D anime character generation, demonstrating its capability to accurately render subtle details and thin structures (e.g. individual fingers) in both meshes and textures.

Accelerated diffusion models hold the potential to significantly enhance the efficiency of standard diffusion processes. Theoretically, these models have been shown to achieve faster convergence rates than the standard $\mathcal O(1/\epsilon^2)$ rate of vanilla diffusion models, where $\epsilon$ denotes the target accuracy. However, current theoretical studies have established the acceleration advantage only for restrictive target distribution classes, such as those with smoothness conditions imposed along the entire sampling path or with bounded support. In this work, we significantly broaden the target distribution classes with a new accelerated stochastic DDPM sampler. In particular, we show that it achieves accelerated performance for three broad distribution classes not considered before. Our first class relies on the smoothness condition posed only to the target density $q_0$, which is far more relaxed than the existing smoothness conditions posed to all $q_t$ along the entire sampling path. Our second class requires only a finite second moment condition, allowing for a much wider class of target distributions than the existing finite-support condition. Our third class is Gaussian mixture, for which our result establishes the first acceleration guarantee. Moreover, among accelerated DDPM type samplers, our results specialized for bounded-support distributions show an improved dependency on the data dimension $d$. Our analysis introduces a novel technique for establishing performance guarantees via constructing a tilting factor representation of the convergence error and utilizing Tweedie's formula to handle Taylor expansion terms. This new analytical framework may be of independent interest.

Diffusion probabilistic models have achieved remarkable success in generative tasks across diverse data types. While recent studies have explored alternative degradation processes beyond Gaussian noise, this paper bridges two key diffusion paradigms: hot diffusion, which relies entirely on noise, and cold diffusion, which uses only blurring without noise. We argue that hot diffusion fails to exploit the strong correlation between high-frequency image detail and low-frequency structures, leading to random behaviors in the early steps of generation. Conversely, while cold diffusion leverages image correlations for prediction, it neglects the role of noise (randomness) in shaping the data manifold, resulting in out-of-manifold issues and partially explaining its performance drop. To integrate both strengths, we propose Warm Diffusion, a unified Blur-Noise Mixture Diffusion Model (BNMD), to control blurring and noise jointly. Our divide-and-conquer strategy exploits the spectral dependency in images, simplifying score model estimation by disentangling the denoising and deblurring processes. We further analyze the Blur-to-Noise Ratio (BNR) using spectral analysis to investigate the trade-off between model learning dynamics and changes in the data manifold. Extensive experiments across benchmarks validate the effectiveness of our approach for image generation.

The rapid advancements of AI rely on the support of integrated circuits (ICs). However, the growing complexity of digital ICs makes the traditional IC design process costly and time-consuming. In recent years, AI-assisted IC design methods have demonstrated great potential, but most methods are task-specific or focus solely on the circuit structure in graph format, overlooking other circuit modalities with rich functional information. In this paper, we introduce CircuitFusion, the first multimodal and implementation-aware circuit encoder. It encodes circuits into general representations that support different downstream circuit design tasks. To learn from circuits, we propose to fuse three circuit modalities: hardware code, structural graph, and functionality summary. More importantly, we identify four unique properties of circuits: parallel execution, functional equivalent transformation, multiple design stages, and circuit reusability. Based on these properties, we propose new strategies for both the development and application of CircuitFusion: 1) During circuit preprocessing, utilizing the parallel nature of circuits, we split each circuit into multiple sub-circuits based on sequential-element boundaries, each sub-circuit in three modalities. It enables fine-grained encoding at the sub-circuit level. 2) During CircuitFusion pre-training, we introduce three self-supervised tasks that utilize equivalent transformations both within and across modalities. We further utilize the multi-stage property of circuits to align representation with ultimate circuit implementation. 3) When applying CircuitFusion to downstream tasks, we propose a new retrieval-augmented inference method, which retrieves similar known circuits as a reference for predictions. It improves fine-tuning performance and even enables zero-shot inference. Evaluated on five different circuit design tasks, CircuitFusion consistently outperforms the state-of-the-art supervised method specifically developed for every single task, demonstrating its generalizability and ability to learn circuits' inherent properties.

We study the optimal batch-regret tradeoff for batch linear contextual bandits. For this problem, we design batch learning algorithms and prove that they achieve the optimal regret bounds (up to logarithmic factors) for any batch number $M$, number of actions $K$, time horizon $T$, and dimension $d$. Therefore, we establish the \emph{full-parameter-range} (almost) optimal batch-regret tradeoff for the batch linear contextual bandit problem. Along our analysis, we also prove a new matrix concentration inequality with dependence on their dynamic upper bounds, which, to the best of our knowledge, is the first of its kind in literature and maybe of independent interest.

We apply Theis et al. (2022)'s DiffC algorithm to Stable Diffusion 1.5, 2.1, XL, and and Flux-dev, and demonstrate that these pretrained models are remarkably capable lossy image compressors. A principled algorithm for compression using pretrained diffusion models has been understood since at least 2020 (Ho et al.), but challenges in reverse-channel coding have prevented such algorithms from ever being fully implemented. We introduce simple workarounds that lead to the first complete implementation of DiffC, which is capable of compressing and decompressing images using Stable Diffusion in under 10 seconds. Despite requiring no additional training, our method is competitive with other state-of-the-art generative compression methods at low ultra-low bitrates.

Large-scale pre-training of deep models, followed by fine-tuning them to adapt to downstream tasks, has become the cornerstone of natural language processing (NLP). The prevalence of vast corpses of data coupled with computational resources has led to large models with a considerable number of parameters. While the massive size of these models has led to remarkable success in many NLP tasks, a detriment is the expense required to retrain all the base model's parameters for the adaptation to each task or domain. Parameter Efficient Fine-Tuning (PEFT) provides a highly effective solution for this challenge by minimizing the number of parameters required to be trained in adjusting to the new task while maintaining the quality of the model. While existing methods have achieved impressive results, they mainly focus on adapting a subset of parameters using adapters, weight reparameterization, and prompt engineering. In this paper, we study layers as extractors of different types of linguistic information that are valuable when used in conjunction with each other. We then propose the Mixture of Layer Experts (MoLEx), a novel Sparse Mixture of Experts (SMoE) whose experts are layers in the pre-trained model. In particular, MoLEx is applied at each layer of the pre-trained model. It performs a conditional computation of a mixture of layers during fine-tuning to provide the model with more structural knowledge about the data. By providing an avenue for information exchange between layers, MoLEx enables the model to make a more well-informed prediction for the downstream task, leading to better fine-tuning results with the same number of effective parameters. As experts can be processed in parallel, MoLEx introduces minimal additional computational overhead. We empirically corroborate the advantages of MoLEx when combined with popular PEFT baseline methods on a variety of downstream fine-tuning tasks, including the popular GLUE benchmark for natural language understanding (NLU) as well as the natural language generation (NLG) End-to-End Challenge (E2E).

Advances in large language models (LLM) have produced text that appears increasingly human-like and difficult to detect with the human eye. In order to mitigate the impact of misusing LLM-generated texts, e.g., copyright infringement, fair student assessment, fraud, and other societally harmful LLM usage, a line of work on detecting human and LLM-written text has been explored. While recent work has focused on classifying entire text samples (e.g., paragraphs) as human or LLM-written, this paper investigates a more realistic setting of mixed-text, where the text's individual segments (e.g., sentences) could each be written by either a human or an LLM. A text encountered in practical usage cannot generally be assumed to be fully human or fully LLM-written; simply predicting whether it is human or LLM-written is insufficient as it does not provide the user with full context on its origins, such as the amount of LLM-written text, or locating the LLM-written parts. Therefore, we study two relevant problems in the mixed-text setting: (i) estimating the percentage of a text that was LLM-written, and (ii) determining which segments were LLM-written. To this end, we propose Partial-LLM Detector (PaLD), a black-box method that leverages the scores of text classifiers. Experimentally, we demonstrate the effectiveness of PaLD compared to baseline methods that build on existing LLM text detectors.

We show theoretically and empirically that the linear Transformer, when applied to graph data, can implement algorithms that solve canonical problems such as electric flow and eigenvector decomposition. The Transformer has access to information on the input graph only via the graph's incidence matrix. We present explicit weight configurations for implementing each algorithm, and we bound the constructed Transformers' errors by the errors of the underlying algorithms. Our theoretical findings are corroborated by experiments on synthetic data. Additionally, on a real-world molecular regression task, we observe that the linear Transformer is capable of learning a more effective positional encoding than the default one based on Laplacian eigenvectors. Our work is an initial step towards elucidating the inner-workings of the Transformer for graph data. Code is available at https://github.com/chengxiang/LinearGraphTransformer

Diffusion priors have been used for blind face restoration (BFR) by fine-tuning diffusion models (DMs) on restoration datasets to recover low-quality images. However, the naive application of DMs presents several key limitations. (i) The diffusion prior has inferior semantic consistency (e.g., ID, structure and color.), increasing the difficulty of optimizing the BFR model; (ii) reliance on hundreds of denoising iterations, preventing the effective cooperation with perceptual losses, which is crucial for faithful restoration. Observing that the latent consistency model (LCM) learns consistency noise-to-data mappings on the ODE-trajectory and therefore shows more semantic consistency in the subject identity, structural information and color preservation, we propose $\textit{InterLCM}$ to leverage the LCM for its superior semantic consistency and efficiency to counter the above issues. Treating low-quality images as the intermediate state of LCM, $\textit{InterLCM}$ achieves a balance between fidelity and quality by starting from earlier LCM steps. LCM also allows the integration of perceptual loss during training, leading to improved restoration quality, particularly in real-world scenarios. To mitigate structural and semantic uncertainties, $\textit{InterLCM}$ incorporates a Visual Module to extract visual features and a Spatial Encoder to capture spatial details, enhancing the fidelity of restored images. Extensive experiments demonstrate that $\textit{InterLCM}$ outperforms existing approaches in both synthetic and real-world datasets while also achieving faster inference speed. Code and models will be publicly available.

Developing agents capable of navigating to a target location based on language instructions and visual information, known as vision-language navigation (VLN), has attracted widespread interest. Most research has focused on ground-based agents, while UAV-based VLN remains relatively underexplored. Recent efforts in UAV vision-language navigation predominantly adopt ground-based VLN settings, relying on predefined discrete action spaces and neglecting the inherent disparities in agent movement dynamics and the complexity of navigation tasks between ground and aerial environments. To address these disparities and challenges, we propose solutions from three perspectives: platform, benchmark, and methodology. To enable realistic UAV trajectory simulation in VLN tasks, we propose the OpenUAV platform, which features diverse environments, realistic flight control, and extensive algorithmic support. We further construct a target-oriented VLN dataset consisting of approximately 12k trajectories on this platform, serving as the first dataset specifically designed for realistic UAV VLN tasks. To tackle the challenges posed by complex aerial environments, we propose an assistant-guided UAV object search benchmark called UAV-Need-Help, which provides varying levels of guidance information to help UAVs better accomplish realistic VLN tasks. We also propose a UAV navigation LLM that, given multi-view images, task descriptions, and assistant instructions, leverages the multimodal understanding capabilities of the MLLM to jointly process visual and textual information, and performs hierarchical trajectory generation. The evaluation results of our method significantly outperform the baseline models, while there remains a considerable gap between our results and those achieved by human operators, underscoring the challenge presented by the UAV-Need-Help task.

In this paper, I introduce the retrieval problem, a simple yet common reasoning task that can be solved only by transformers with a minimum number of layers, which grows logarithmically with the input size. I empirically show that large language models can solve the task under different prompting formulations without any fine-tuning. To understand how transformers solve the retrieval problem, I train several transformers on a minimal formulation. Successful learning occurs only under the presence of an implicit curriculum. I uncover the learned mechanisms by studying the attention maps in the trained transformers. I also study the training process, uncovering that attention heads always emerge in a specific sequence guided by the implicit curriculum.

This paper introduces PhyloLM, a method adapting phylogenetic algorithms to Large Language Models (LLMs) to explore whether and how they relate to each other and to predict their performance characteristics. Our method calculates a phylogenetic distance metric based on the similarity of LLMs' output. The resulting metric is then used to construct dendrograms, which satisfactorily capture known relationships across a set of 111 open-source and 45 closed models. Furthermore, our phylogenetic distance predicts performance in standard benchmarks, thus demonstrating its functional validity and paving the way for a time and cost-effective estimation of LLM capabilities. To sum up, by translating population genetic concepts to machine learning, we propose and validate a tool to evaluate LLM development, relationships and capabilities, even in the absence of transparent training information.

While large language models (LLMs) have made significant progress in processing and reasoning over knowledge graphs, current methods suffer from a high non-retrieval rate. This limitation reduces the accuracy of answering questions based on these graphs. Our analysis reveals that the combination of greedy search and forward reasoning is a major contributor to this issue. To overcome these challenges, we introduce the concept of super-relations, which enables both forward and backward reasoning by summarizing and connecting various relational paths within the graph. This holistic approach not only expands the search space, but also significantly improves retrieval efficiency. In this paper, we propose the ReKnoS framework, which aims to Reason over Knowledge Graphs with Super-Relations. Our framework’s key advantages include the inclusion of multiple relation paths through super-relations, enhanced forward and backward reasoning capabilities, and increased efficiency in querying LLMs. These enhancements collectively lead to a substantial improvement in the successful retrieval rate and overall reasoning performance. We conduct extensive experiments on a variety of datasets to evaluate ReKnoS, and the results demonstrate the superior performance of ReKnoS over existing state-of-the-art baselines, with an average accuracy gain of 2.92% across nine real-world datasets.

State-of-the-art brain graph analysis methods fail to fully encode the small-world architecture of brain graphs (accompanied by the presence of hubs and functional modules), and therefore lack biological plausibility to some extent. This limitation hinders their ability to accurately represent the brain's structural and functional properties, thereby restricting the effectiveness of machine learning models in tasks such as brain disorder detection. In this work, we propose a novel Biologically Plausible Brain Graph Transformer (BioBGT) that encodes the small-world architecture inherent in brain graphs. Specifically, we present a network entanglement-based node importance encoding technique that captures the structural importance of nodes in global information propagation during brain graph communication, highlighting the biological properties of the brain structure. Furthermore, we introduce a functional module-aware self-attention to preserve the functional segregation and integration characteristics of brain graphs in the learned representations. Experimental results on three benchmark datasets demonstrate that BioBGT outperforms state-of-the-art models, enhancing biologically plausible brain graph representations for various brain graph analytical tasks

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation across texts and graphs. To address this, we introduce Llamole, the first multimodal LLM capable of interleaved text and graph generation, enabling molecular inverse design with retrosynthetic planning. Llamole integrates a base LLM with the Graph Diffusion Transformer and Graph Neural Networks for multi-conditional molecular generation and reaction inference within texts, while the LLM, with enhanced molecular understanding, flexibly controls activation among the different graph modules. Additionally, Llamole integrates A* search with LLM-based cost functions for efficient retrosynthetic planning. We create benchmarking datasets and conduct extensive experiments to evaluate Llamole against in-context learning and supervised fine-tuning. Llamole significantly outperforms 14 adapted LLMs across 12 metrics for controllable molecular design and retrosynthetic planning. Code and model at https://github.com/liugangcode/Llamole.