OpenRaiser/Intern-Atlas huggingface dataset:
InverseBench: Benchmarking Plug-and-Play Diffusion Priors for Inverse Problems in Physical Sciences
Venue: Conference ICLR 2025
Year: 2025

Plug-and-play diffusion priors (PnPDP) have emerged as a promising research direction for solving inverse problems. However, current studies primarily focus on natural image restoration, leaving the performance of these algorithms in scientific inverse problems largely unexplored. To address this gap, we introduce \textsc{InverseBench}, a framework that evaluates diffusion models across five distinct scientific inverse problems. These problems present unique structural challenges that differ from existing benchmarks, arising from critical scientific applications such as optical tomography, medical imaging, black hole imaging, seismology, and fluid dynamics. With \textsc{InverseBench}, we benchmark 14 inverse problem algorithms that use plug-and-play diffusion priors against strong, domain-specific baselines, offering valuable new insights into the strengths and weaknesses of existing algorithms. To facilitate further research and development, we open-source the codebase, along with datasets and pre-trained models, at https://devzhk.github.io/InverseBench/.
What Makes Large Language Models Reason in (Multi-Turn) Code Generation?
Venue: Conference ICLR 2025
Year: 2025

Prompting techniques such as chain-of-thought have established themselves as a popular vehicle for improving the outputs of large language models (LLMs). For code generation, however, their exact mechanics and efficacy are under-explored. We thus investigate the effects of a wide range of prompting strategies with a focus on automatic re-prompting over multiple turns and computational requirements. After systematically decomposing reasoning, instruction, and execution feedback prompts, we conduct an extensive grid search on the competitive programming benchmarks CodeContests and TACO for multiple LLM families and sizes (Llama 3.0 and 3.1, 8B, 70B, 405B, and GPT-4o). Our study reveals strategies that consistently improve performance across all models with small and large sampling budgets. We then show how finetuning with such an optimal configuration allows models to internalize the induced reasoning process and obtain improvements in performance and scalability for multi-turn code generation.
Elucidating the Preconditioning in Consistency Distillation
Venue: Conference ICLR 2025
Year: 2025

Consistency distillation is a prevalent way for accelerating diffusion models adopted in consistency (trajectory) models, in which a student model is trained to traverse backward on the probability flow (PF) ordinary differential equation (ODE) trajectory determined by the teacher model. Preconditioning is a vital technique for stabilizing consistency distillation, by linear combining the input data and the network output with pre-defined coefficients as the consistency function. It imposes the boundary condition of consistency functions without restricting the form and expressiveness of the neural network. However, previous preconditionings are hand-crafted and may be suboptimal choices. In this work, we offer the first theoretical insights into the preconditioning in consistency distillation, by elucidating its design criteria and the connection to the teacher ODE trajectory. Based on these analyses, we further propose a principled way dubbed \textit{Analytic-Precond} to analytically optimize the preconditioning according to the consistency gap (defined as the gap between the teacher denoiser and the optimal student denoiser) on a generalized teacher ODE. We demonstrate that Analytic-Precond can facilitate the learning of trajectory jumpers, enhance the alignment of the student trajectory with the teacher's, and achieve $2\times$ to $3\times$ training acceleration of consistency trajectory models in multi-step generation across various datasets.
Diffusion Bridge Implicit Models
Venue: Conference ICLR 2025
Year: 2025

Denoising diffusion bridge models (DDBMs) are a powerful variant of diffusion models for interpolating between two arbitrary paired distributions given as endpoints. Despite their promising performance in tasks like image translation, DDBMs require a computationally intensive sampling process that involves the simulation of a (stochastic) differential equation through hundreds of network evaluations. In this work, we take the first step in fast sampling of DDBMs without extra training, motivated by the well-established recipes in diffusion models. We generalize DDBMs via a class of non-Markovian diffusion bridges defined on the discretized timesteps concerning sampling, which share the same marginal distributions and training objectives, give rise to generative processes ranging from stochastic to deterministic, and result in diffusion bridge implicit models (DBIMs). DBIMs are not only up to 25$\times$ faster than the vanilla sampler of DDBMs but also induce a novel, simple, and insightful form of ordinary differential equation (ODE) which inspires high-order numerical solvers. Moreover, DBIMs maintain the generation diversity in a distinguished way, by using a booting noise in the initial sampling step, which enables faithful encoding, reconstruction, and semantic interpolation in image translation tasks. Code is available at https://github.com/thu-ml/DiffusionBridge.
AgentStudio: A Toolkit for Building General Virtual Agents
Venue: Conference ICLR 2025
Year: 2025

General virtual agents need to handle multimodal observations, master complex action spaces, and self-improve in dynamic, open-domain environments. However, existing environments are often domain-specific and require complex setups, which limits agent development and evaluation in real-world settings. As a result, current evaluations lack in-depth analyses that decompose fundamental agent capabilities. We introduce AgentStudio, a trinity of environments, tools, and benchmarks to address these issues. AgentStudio provides a lightweight, interactive environment with highly generic observation and action spaces, e.g., video observations and GUI/API actions. It integrates tools for creating online benchmark tasks, annotating GUI elements, and labeling actions in videos. Based on our environment and tools, we curate an online task suite that benchmarks both GUI interactions and function calling with efficient auto-evaluation. We also reorganize existing datasets and collect new ones using our tools to establish three datasets: GroundUI, IDMBench, and CriticBench. These datasets evaluate fundamental agent abilities, including GUI grounding, learning from videos, and success detection, pointing to the desiderata for robust, general, and open-ended virtual agents.
DeepGate4: Efficient and Effective Representation Learning for Circuit Design at Scale
Venue: Conference ICLR 2025
Year: 2025

Circuit representation learning has become pivotal in electronic design automation, enabling critical tasks such as testability analysis, logic reasoning, power estimation, and SAT solving. However, existing models face significant challenges in scaling to large circuits due to limitations like over-squashing in graph neural networks and the quadratic complexity of transformer-based models. To address these issues, we introduce DeepGate4, a scalable and efficient graph transformer specifically designed for large-scale circuits. DeepGate4 incorporates several key innovations: (1) an update strategy tailored for circuit graphs, which reduce memory complexity to sub-linear and is adaptable to any graph transformer; (2) a GAT-based sparse transformer with global and local structural encodings for AIGs; and (3) an inference acceleration CUDA kernel that fully exploit the unique sparsity patterns of AIGs. Our extensive experiments on the ITC99 and EPFL benchmarks show that DeepGate4 significantly surpasses state-of-the-art methods, achieving 15.5% and 31.1% performance improvements over the next-best models. Furthermore, the Fused-DeepGate4 variant reduces runtime by 35.1% and memory usage by 46.8%, making it highly efficient for large-scale circuit analysis. These results demonstrate the potential of DeepGate4 to handle complex EDA tasks while offering superior scalability and efficiency. Code is available at https://github.com/zyzheng17/DeepGate4-ICLR-25.
TraceVLA: Visual Trace Prompting Enhances Spatial-Temporal Awareness for Generalist Robotic Policies
Venue: Conference ICLR 2025
Year: 2025

Although large vision-language-action (VLA) models pretrained on extensive robot datasets offer promising generalist policies for robotic learning, they still struggle with spatial-temporal dynamics in interactive robotics, making them less effective in handling complex tasks, such as manipulation. In this work, we introduce visual trace prompting, a simple yet effective approach to facilitate VLA models' spatial-temporal awareness for action prediction by encoding state-action trajectories visually. We develop a new TraceVLA model by finetuning OpenVLA on our own collected dataset of 150K robot manipulation trajectories using visual trace prompting. Evaluations of TraceVLA across 137 configurations in SimplerEnv and 4 tasks on a physical WidowX robot demonstrate state-of-the-art performance, outperforming OpenVLA by 10% on SimplerEnv and 3.5x on real-robot tasks and exhibiting robust generalization across diverse embodiments and scenarios. To further validate the effectiveness and generality of our method, we present a compact VLA model based on 4B Phi-3-Vision, pretrained on the Open-X-Embodiment and finetuned on our dataset, rivals the 7B OpenVLA baseline while significantly improving inference efficiency.
RecDreamer: Consistent Text-to-3D Generation via Uniform Score Distillation
Venue: Conference ICLR 2025
Year: 2025

Current text-to-3D generation methods based on score distillation often suffer from geometric inconsistencies, leading to repeated patterns across different poses of 3D assets. This issue, known as the Multi-Face Janus problem, arises because existing methods struggle to maintain consistency across varying poses and are biased toward a canonical pose. While recent work has improved pose control and approximation, these efforts are still limited by this inherent bias, which skews the guidance during generation. To address this, we propose a solution called RecDreamer, which reshapes the underlying data distribution to achieve a more consistent pose representation. The core idea behind our method is to rectify the prior distribution, ensuring that pose variation is uniformly distributed rather than biased toward a canonical form. By modifying the prescribed distribution through an auxiliary function, we can reconstruct the density of the distribution to ensure compliance with specific marginal constraints. In particular, we ensure that the marginal distribution of poses follows a uniform distribution, thereby eliminating the biases introduced by the prior knowledge. We incorporate this rectified data distribution into existing score distillation algorithms, a process we refer to as uniform score distillation. To efficiently compute the posterior distribution required for the auxiliary function, RecDreamer introduces a training-free classifier that estimates pose categories in a plug-and-play manner. Additionally, we utilize various approximation techniques for noisy states, significantly improving system performance. Our experimental results demonstrate that RecDreamer effectively mitigates the Multi-Face Janus problem, leading to more consistent 3D asset generation across different poses.
SMI-Editor: Edit-based SMILES Language Model with Fragment-level Supervision
Venue: Conference ICLR 2025
Year: 2025

SMILES, a crucial textual representation of molecular structures, has garnered significant attention as a foundation for pre-trained language models (LMs). However, most existing pre-trained SMILES LMs focus solely on the single-token level supervision during pre-training, failing to fully leverage the substructural information of molecules. This limitation makes the pre-training task overly simplistic, preventing the models from capturing richer molecular semantic information. Moreover, during pre-training, these SMILES LMs only process corrupted SMILES inputs, never encountering any valid SMILES, which leads to a train-inference mismatch. To address these challenges, we propose SMI-Editor, a novel edit-based pre-trained SMILES LM. SMI-Editor disrupts substructures within a molecule at random and feeds the resulting SMILES back into the model, which then attempts to restore the original SMILES through an editing process. This approach not only introduces fragment-level training signals, but also enables the use of valid SMILES as inputs, allowing the model to learn how to reconstruct complete molecules from these incomplete structures. As a result, the model demonstrates improved scalability and an enhanced ability to capture fragment-level molecular information. Experimental results show that SMI-Editor achieves state-of-the-art performance across multiple downstream molecular tasks, and even outperforming several 3D molecular representation models.
Diffusion-Based Planning for Autonomous Driving with Flexible Guidance
Venue: Conference ICLR 2025
Year: 2025

Achieving human-like driving behaviors in complex open-world environments is a critical challenge in autonomous driving. Contemporary learning-based planning approaches such as imitation learning methods often struggle to balance competing objectives and lack of safety assurance,due to limited adaptability and inadequacy in learning complex multi-modal behaviors commonly exhibited in human planning, not to mention their strong reliance on the fallback strategy with predefined rules. We propose a novel transformer-based Diffusion Planner for closed-loop planning, which can effectively model multi-modal driving behavior and ensure trajectory quality without any rule-based refinement. Our model supports joint modeling of both prediction and planning tasks under the same architecture, enabling cooperative behaviors between vehicles. Moreover, by learning the gradient of the trajectory score function and employing a flexible classifier guidance mechanism, Diffusion Planner effectively achieves safe and adaptable planning behaviors. Evaluations on the large-scale real-world autonomous planning benchmark nuPlan and our newly collected 200-hour delivery-vehicle driving dataset demonstrate that Diffusion Planner achieves state-of-the-art closed-loop performance with robust transferability in diverse driving styles.
Cheating Automatic LLM Benchmarks: Null Models Achieve High Win Rates
Venue: Conference ICLR 2025
Year: 2025

Automatic LLM benchmarks, such as AlpacaEval 2.0, Arena-Hard-Auto, and MT-Bench, have become popular for evaluating language models due to their cost-effectiveness and scalability compared to human evaluation. Achieving high win rates on these benchmarks can significantly boost the promotional impact of newly released language models. This promotional benefit may motivate tricks, such as manipulating model output length or style to game win rates, even though several mechanisms have been developed to control length and disentangle style to reduce gameability. Nonetheless, we show that even a "null model" that always outputs a constant response (irrelevant to input instructions) can cheat automatic benchmarks and achieve top-ranked win rates: an 86.5% LC win rate on AlpacaEval 2.0; an 83.0 score on Arena-Hard-Auto; and a 9.55 score on MT-Bench. Moreover, the crafted cheating outputs are transferable because we assume that the instructions of these benchmarks (e.g., 805 samples of AlpacaEval 2.0) are private and cannot be accessed. While our experiments are primarily proof-of-concept, an adversary could use LLMs to generate more imperceptible cheating responses, unethically benefiting from high win rates and promotional impact. Our findings call for the development of anti-cheating mechanisms for reliable automatic benchmarks. The code is available at https://github.com/sail-sg/Cheating-LLM-Benchmarks.
DenseGrounding: Improving Dense Language-Vision Semantics for Ego-centric 3D Visual Grounding
Venue: Conference ICLR 2025
Year: 2025

Enabling intelligent agents to comprehend and interact with 3D environments through natural language is crucial for advancing robotics and human-computer interaction. A fundamental task in this field is ego-centric 3D visual grounding, where agents locate target objects in real-world 3D spaces based on verbal descriptions. However, this task faces two significant challenges: (1) loss of fine-grained visual semantics due to sparse fusion of point clouds with ego-centric multi-view images, (2) limited textual semantic context due to arbitrary language descriptions. We propose DenseGrounding, a novel approach designed to address these issues by enhancing both visual and textual semantics. For visual features, we introduce the Hierarchical Scene Semantic Enhancer, which retains dense semantics by capturing fine-grained global scene features and facilitating cross-modal alignment. For text descriptions, we propose a Language Semantic Enhancer that leverages large language models to provide rich context and diverse language descriptions with additional context during model training. Extensive experiments show that DenseGrounding significantly outperforms existing methods in overall accuracy, with improvements of 5.81% and 7.56% when trained on the comprehensive full dataset and smaller mini subset, respectively, further advancing the SOTA in egocentric 3D visual grounding. Our method also achieves 1st place and receives the Innovation Award in the CVPR 2024 Autonomous Grand Challenge Multi-view 3D Visual Grounding Track, validating its effectiveness and robustness.
Judge Decoding: Faster Speculative Sampling Requires Going Beyond Model Alignment
Venue: Conference ICLR 2025
Year: 2025

The performance of large language models (LLMs) is closely linked to their underlying size, leading to ever-growing networks and hence slower inference. Speculative decoding has been proposed as a technique to accelerate autoregressive generation, leveraging a fast draft model to propose candidate tokens, which are then verified in parallel based on their likelihood under the target model. While this approach guarantees to reproduce the target output, it incurs a substantial penalty: many high-quality draft tokens are rejected, even when they represent objectively valid continuations. Indeed, we show that even powerful draft models such as GPT-4o, as well as human text cannot achieve high acceptance rates under the standard verification scheme. This severely limits the speedup potential of current speculative decoding methods, as an early rejection becomes overwhelmingly likely when solely relying on alignment of draft and target. We thus ask the following question: Can we adapt verification to recognize correct, but non-aligned replies? To this end, we draw inspiration from the LLM-as-a-judge framework, which demonstrated that LLMs are able to rate answers in a versatile way. We carefully design a dataset to elicit the same capability in the target model by training a compact module on top of the embeddings to produce ``judgements" of the current continuation. We showcase our strategy on the Llama-3.1 family, where our 8b/405B-Judge achieves a speedup of 9x over Llama-405B, while maintaining its quality on a large range of benchmarks. These benefits remain present even in optimized inference frameworks, where our method reaches up to 141 tokens/s for 8B/70B-Judge and 129 tokens/s for 8B/405B on 2 and 8 H100s respectively.
ELFS: Label-Free Coreset Selection with Proxy Training Dynamics
Venue: Conference ICLR 2025
Year: 2025

High-quality human-annotated data is crucial for modern deep learning pipelines, yet the human annotation process is both costly and time-consuming. Given a constrained human labeling budget, selecting an informative and representative data subset for labeling can significantly reduce human annotation effort. Well-performing state-of-the-art (SOTA) coreset selection methods require ground truth labels over the whole dataset, failing to reduce the human labeling burden. Meanwhile, SOTA label-free coreset selection methods deliver inferior performance due to poor geometry-based difficulty scores. In this paper, we introduce ELFS (Effective Label-Free Coreset Selection), a novel label-free coreset selection method. ELFS significantly improves label-free coreset selection by addressing two challenges: 1) ELFS utilizes deep clustering to estimate training dynamics-based data difficulty scores without ground truth labels; 2) Pseudo-labels introduce a distribution shift in the data difficulty scores, and we propose a simple but effective double-end pruning method to mitigate bias on calculated scores. We evaluate ELFS on four vision benchmarks and show that, given the same vision encoder, ELFS consistently outperforms SOTA label-free baselines. For instance, when using SwAV as the encoder, ELFS outperforms D2 by up to 10.2% in accuracy on ImageNet-1K. We make our code publicly available on GitHub.
Can a MISL Fly? Analysis and Ingredients for Mutual Information Skill Learning
Venue: Conference ICLR 2025
Year: 2025

Self-supervised learning has the potential of lifting several of the key challenges in reinforcement learning today, such as exploration, representation learning, and reward design. Recent work (METRA) has effectively argued that moving away from mutual information and instead optimizing a certain Wasserstein distance is important for good performance. In this paper, we argue that the benefits seen in that paper can largely be explained within the existing framework of mutual information skill learning (MISL). Our analysis suggests a new MISL method (contrastive successor features) that retains the excellent performance of METRA with fewer moving parts, and highlights connections between skill learning, contrastive representation learning, and successor features. Finally, through careful ablation studies, we provide further insight into some of the key ingredients for both our method and METRA.
Efficiently Democratizing Medical LLMs for 50 Languages via a Mixture of Language Family Experts
Venue: Conference ICLR 2025
Year: 2025

Adapting medical Large Language Models to local languages can reduce barriers to accessing healthcare services, but data scarcity remains a significant challenge, particularly for low-resource languages. To address this, we first construct a high-quality medical dataset and conduct analysis to ensure its quality. In order to leverage the generalization capability of multilingual LLMs to efficiently scale to more resource-constrained languages, we explore the internal information flow of LLMs from a multilingual perspective using Mixture of Experts (MoE) modularity. Technically, we propose a novel MoE routing method that employs language-specific experts and cross-lingual routing. Inspired by circuit theory, our routing analysis revealed a Spread Out in the End information flow mechanism: while earlier layers concentrate cross-lingual information flow, the later layers exhibit language-specific divergence. This insight directly led to the development of the Post-MoE architecture, which applies sparse routing only in the later layers while maintaining dense others. Experimental results demonstrate that this approach enhances the generalization of multilingual models to other languages while preserving interpretability. Finally, to efficiently scale the model to 50 languages, we introduce the concept of language family experts, drawing on linguistic priors, which enables scaling the number of languages without adding additional parameters.