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Don't flatten, tokenize! Unlocking the key to SoftMoE's efficacy in deep RL

ICLR
2025

Ghada Sokar, Johan S Obando Ceron, Aaron Courville, Hugo Larochelle, Pablo Samuel Castro

The use of deep neural networks in reinforcement learning (RL) often suffers from performance degradation as model size increases. While soft mixtures of experts (SoftMoEs) have recently shown promise in mitigating this issue for online RL, the reasons behind their effectiveness remain largely unknown. In this work we provide an in-depth analysis identifying the key factors driving this performance gain. We discover the surprising result that tokenizing the encoder output, rather than the use of multiple experts, is what is behind the efficacy of SoftMoEs. Indeed, we demonstrate that even with an appropriately scaled single expert, we are able to maintain the performance gains, largely thanks to tokenization.

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Learning Long Range Dependencies on Graphs via Random Walks

ICLR
2025

Dexiong Chen, Till Schulz, Karsten Borgwardt

Message-passing graph neural networks (GNNs) excel at capturing local relationships but struggle with long-range dependencies in graphs. In contrast, graph transformers (GTs) enable global information exchange but often oversimplify the graph structure by representing graphs as sets of fixed-length vectors. This work introduces a novel architecture that overcomes the shortcomings of both approaches by combining the long-range information of random walks with local message passing. By treating random walks as sequences, our architecture leverages recent advances in sequence models to effectively capture long-range dependencies within these walks. Based on this concept, we propose a framework that offers (1) more expressive graph representations through random walk sequences, (2) the ability to utilize any sequence model for capturing long-range dependencies, and (3) the flexibility by integrating various GNN and GT architectures. Our experimental evaluations demonstrate that our approach achieves competitive performance on 19 graph and node benchmark datasets, notably outperforming existing methods by up to 13\% on the PascalVoc-SP and COCO-SP datasets.Code: https://github.com/BorgwardtLab/NeuralWalker

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X-Fi: A Modality-Invariant Foundation Model for Multimodal Human Sensing

ICLR
2025

Xinyan Chen, Jianfei Yang

Human sensing, which employs various sensors and advanced deep learning technologies to accurately capture and interpret human body information, has significantly impacted fields like public security and robotics. However, current human sensing primarily depends on modalities such as cameras and LiDAR, each of which has its own strengths and limitations. Furthermore, existing multimodal fusion solutions are typically designed for fixed modality combinations, requiring extensive retraining when modalities are added or removed for diverse scenarios. In this paper, we propose a modality-invariant foundation model for all modalities, X-Fi, to address these issues. X-Fi enables the independent or combinatory use of sensor modalities without additional training by utilizing a transformer structure to accommodate variable input sizes and incorporating a novel "X-fusion" mechanism to preserve modality-specific features during multimodal integration. This approach not only enhances adaptability but also facilitates the learning of complementary features across modalities. Extensive experiments conducted on the MM-Fi and XRF55 datasets, employing six distinct modalities, demonstrate that X-Fi achieves state-of-the-art performance in human pose estimation (HPE) and human activity recognition (HAR) tasks. The findings indicate that our proposed model can efficiently support a wide range of human sensing applications, ultimately contributing to the evolution of scalable, multimodal sensing technologies.

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Agnostic Continuous-Time Online Learning

NeurIPS
2025

Pramith Devulapalli, Changlong Wu, Ananth Grama, Wojciech Szpankowski

We study agnostic online learning from continuous-time data streams, a setting that naturally arises in applications such as environmental monitoring, personalized recommendation, and high-frequency trading. Unlike classical discrete-time models, learners in this setting must interact with a continually evolving data stream while making queries and updating models only at sparse, strategically selected times. We develop a general theoretical framework for learning from both *oblivious* and *adaptive* data streams, which may be noisy and non-stationary. For oblivious streams, we present a black-box reduction to classical online learning that yields a regret bound of T⋅R(S)/S for any class with discrete-time regret R(S), where T is the time horizon and S is the *query budget*. For adaptive streams, which can evolve in response to learner actions, we design a dynamic query strategy in conjunction with a novel importance weighting scheme that enables unbiased loss estimation. In particular, for hypothesis class H with a finite Littlestone dimension, we establish a tight regret bound of Θ~(T⋅Ldim(H)/S​) that holds in both settings. Our results provide the first *quantitative* characterization of agnostic learning in continuous-time online environments with limited interaction.

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ComSL: A Composite Speech-Language Model for End-to-End Speech-to-Text Translation

NeurIPS
2023

Le, Chenyang, Qian, Yao, Zhou, Long, LIU, Shujie, Qian, Yanmin, Zeng, Michael, Huang, Xuedong

Joint speech-language training is challenging due to the large demand for training data and GPU consumption, as well as the modality gap between speech and language. We present ComSL, a speech-language model built atop a composite architecture of public pre-trained speech-only and language-only models and optimized data-efficiently for spoken language tasks. Particularly, we propose to incorporate cross-modality learning into transfer learning and conduct them simultaneously for downstream tasks in a multi-task learning manner. Our approach has demonstrated effectiveness in end-to-end speech-to-text translation tasks, achieving a new state-of-the-art average BLEU score of 31.5 on the multilingual speech to English text translation task for 21 languages, as measured on the public CoVoST2 evaluation set.

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Retrv-R1: A Reasoning-Driven MLLM Framework for Universal and Efficient Multimodal Retrieval

NeurIPS
2025

Lanyun Zhu, Deyi Ji, Tianrun Chen, Haiyang Wu, Shiqi Wang

The success of DeepSeek-R1 demonstrates the immense potential of using reinforcement learning (RL) to enhance LLMs' reasoning capabilities. This paper introduces Retrv-R1, the first R1-style MLLM specifically designed for multimodal universal retrieval, achieving higher performance by employing step-by-step reasoning to produce more accurate retrieval results. We find that directly applying the methods of DeepSeek-R1 to retrieval tasks is not feasible, mainly due to (1) the high computational cost caused by the large token consumption required for multiple candidates with reasoning processes, and (2) the instability and suboptimal results when directly applying RL to train for retrieval tasks. To address these issues, Retrv-R1 introduces an information compression module with a details inspection mechanism, which enhances computational efficiency by reducing the number of tokens while ensuring that critical information for challenging candidates is preserved. Additionally, a new training paradigm is proposed, including an activation stage using a retrieval-tailored synthetic CoT dataset for more effective optimization, followed by RL with a novel curriculum reward to improve both performance and efficiency. Incorporating these novel designs, Retrv-R1 achieves SOTA performance, high efficiency, and strong generalization ability, as demonstrated by extensive experiments across multiple benchmarks and tasks.

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PerturboLLaVA: Reducing Multimodal Hallucinations with Perturbative Visual Training

ICLR
2025

Cong Chen, Mingyu Liu, Chenchen Jing, Yizhou Zhou, Fengyun Rao, Hao Chen, Bo Zhang, Chunhua Shen

This paper aims to address the challenge of hallucinations in Multimodal Large Language Models (MLLMs) particularly for dense image captioning tasks. To tackle the challenge, we identify the current lack of a metric that finely measures the caption quality in concept level. We hereby introduce HalFscore, a novel metric built upon the language graph and is designed to evaluate both the accuracy and completeness of dense captions at agranular level. Additionally, we identify the root cause of hallucination as the model's over-reliance on its language prior. To address this, we propose PerturboLLaVA, which reduces the model's reliance on the language prior by incorporating adversarially perturbed text during training. This method enhances the model's focus on visual inputs, effectively reducing hallucinations and producing accurate, image-grounded descriptions without incurring additional computational overhead. PerturboLLaVA significantly improves the fidelity of generated captions, outperforming existing approaches in handling multimodal hallucinations and achieving improved performance across general multimodal benchmarks.

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Knowledge Distillation with Multi-granularity Mixture of Priors for Image Super-Resolution

ICLR
2025

Simiao Li, Yun Zhang, Wei Li, Hanting Chen, Wenjia Wang, Bingyi Jing, Shaohui Lin, Jie Hu

Knowledge distillation (KD) is a promising yet challenging model compression approach that transmits rich learning representations from robust but resource-demanding teacher models to efficient student models. Previous methods for image super-resolution (SR) are often tailored to specific teacher-student architectures, limiting their potential for improvement and hindering broader applications. This work presents a novel KD framework for SR models, the multi-granularity Mixture of Priors Knowledge Distillation (MiPKD), which can be universally applied to a wide range of architectures at both feature and block levels. The teacher’s knowledge is effectively integrated with the student's feature via the Feature Prior Mixer, and the reconstructed feature propagates dynamically in the training phase with the Block Prior Mixer. Extensive experiments illustrate the significance of the proposed MiPKD technique.

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AdaNovo: Towards Robust \emph{De Novo} Peptide Sequencing in Proteomics against Data Biases

NeurIPS
2024

Xia, Jun, Chen, Shaorong, Zhou, Jingbo, Xiaojun, Shan, Du, Wenjie, Gao, Zhangyang, Tan, Cheng, Hu, Bozhen, Zheng, Jiangbin, Li, Stan Z.

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the high-throughput analysis of protein composition in biological tissues. Despite the development of several deep learning methods for predicting amino acid sequences (peptides) responsible for generating the observed mass spectra, training data biases hinder further advancements of \emph{de novo} peptide sequencing. Firstly, prior methods struggle to identify amino acids with Post-Translational Modifications (PTMs) due to their lower frequency in training data compared to canonical amino acids, further resulting in unsatisfactory peptide sequencing performance. Secondly, various noise and missing peaks in mass spectra reduce the reliability of training data (Peptide-Spectrum Matches, PSMs). To address these challenges, we propose AdaNovo, a novel and domain knowledge-inspired framework that calculates Conditional Mutual Information (CMI) between the mass spectra and amino acids or peptides, using CMI for robust training against above biases. Extensive experiments indicate that AdaNovo outperforms previous competitors on the widely-used 9-species benchmark, meanwhile yielding 3.6\% - 9.4\% improvements in PTMs identification. The supplements contain the code.

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RFWave: Multi-band Rectified Flow for Audio Waveform Reconstruction

ICLR
2025

Peng Liu, Dongyang Dai, Zhiyong Wu

Recent advancements in generative modeling have significantly enhanced the reconstruction of audio waveforms from various representations. While diffusion models are adept at this task, they are hindered by latency issues due to their operation at the individual sample point level and the need for numerous sampling steps. In this study, we introduce RFWave, a cutting-edge multi-band Rectified Flow approach designed to reconstruct high-fidelity audio waveforms from Mel-spectrograms or discrete acoustic tokens. RFWave uniquely generates complex spectrograms and operates at the frame level, processing all subbands simultaneously to boost efficiency. Leveraging Rectified Flow, which targets a straight transport trajectory, RFWave achieves reconstruction with just 10 sampling steps. Our empirical evaluations show that RFWave not only provides outstanding reconstruction quality but also offers vastly superior computational efficiency, enabling audio generation at speeds up to 160 times faster than real-time on a GPU. Both an online demonstration and the source code are accessible.

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A Bound on the Error of Cross Validation Using the Approximation and Estimation Rates, with Consequences for the Training-Test Split

NeurIPS
1995

Kearns, Michael

Abstract Unavailable

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Graph Your Own Prompt

NeurIPS
2025

Xi Ding, Lei Wang, Piotr Koniusz, Yongsheng Gao

We propose Graph Consistency Regularization (GCR), a novel framework that injects relational graph structures, derived from model predictions, into the learning process to promote class-aware, semantically meaningful feature representations. Functioning as a form of *self-prompting*, GCR enables the model to refine its internal structure using its own outputs. While deep networks learn rich representations, these often capture noisy inter-class similarities that contradict the model's predicted semantics. GCR addresses this issue by introducing parameter-free *Graph Consistency Layers* (GCLs) at arbitrary depths. Each GCL builds a batch-level feature similarity graph and aligns it with a global, class-aware masked prediction graph, derived by modulating softmax prediction similarities with intra-class indicators. This alignment enforces that feature-level relationships reflect class-consistent prediction behavior, acting as a *semantic regularizer* throughout the network. Unlike prior work, GCR introduces a multi-layer, cross-space graph alignment mechanism with adaptive weighting, where layer importance is learned from graph discrepancy magnitudes. This allows the model to prioritize semantically reliable layers and suppress noisy ones, enhancing feature quality without modifying the architecture or training procedure. GCR is model-agnostic, lightweight, and improves semantic structure across various networks and datasets. Experiments show that GCR promotes cleaner feature structure, stronger intra-class cohesion, and improved generalization, offering a new perspective on learning from prediction structure.

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The Power of Asymmetry in Binary Hashing

NeurIPS
2013

Neyshabur, Behnam, Srebro, Nati, Salakhutdinov, Russ R., Makarychev, Yury, Yadollahpour, Payman

When approximating binary similarity using the hamming distance between short binary hashes, we shown that even if the similarity is symmetric, we can have shorter and more accurate hashes by using two distinct code maps. I.e.~by approximating the similarity between x and x′ as the hamming distance between f(x) and g(x′), for two distinct binary codes f,g, rather than as the hamming distance between f(x) and f(x′).

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Breaking the log(1/Δ2​) Barrier: Better Batched Best Arm Identification with Adaptive Grids

ICLR
2025

Tianyuan Jin, Qin Zhang, Dongruo Zhou

We investigate the problem of batched best arm identification in multi-armed bandits, where we want to find the best arm from a set of n arms while minimizing both the number of samples and batches. We introduce an algorithm that achieves near-optimal sample complexity and features an instance-sensitive batch complexity, which breaks the log(1/Δ2​) barrier. The main contribution of our algorithm is a novel sample allocation scheme that effectively balances exploration and exploitation for batch sizes. Experimental results indicate that our approach is more batch-efficient across various setups. We also extend this framework to the problem of batched best arm identification in linear bandits and achieve similar improvements.

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TDDBench: A Benchmark for Training data detection

ICLR
2025

Zhihao Zhu, Yi Yang, Defu Lian

Training Data Detection (TDD) is a task aimed at determining whether a specific data instance is used to train a machine learning model. In the computer security literature, TDD is also referred to as Membership Inference Attack (MIA). Given its potential to assess the risks of training data breaches, ensure copyright authentication, and verify model unlearning, TDD has garnered significant attention in recent years, leading to the development of numerous methods. Despite these advancements, there is no comprehensive benchmark to thoroughly evaluate the effectiveness of TDD methods.In this work, we introduce TDDBench, which consists of 13 datasets spanning three data modalities: image, tabular, and text. We benchmark 21 different TDD methods across four detection paradigms and evaluate their performance from five perspectives: average detection performance, best detection performance, memory consumption, and computational efficiency in both time and memory. With TDDBench, researchers can identify bottlenecks and areas for improvement in TDD algorithms, while practitioners can make informed trade-offs between effectiveness and efficiency when selecting TDD algorithms for specific use cases. Our extensive experiments also reveal the generally unsatisfactory performance of TDD algorithms across different datasets. To enhance accessibility and reproducibility, we open-source TDDBench for the research community at https://github.com/zzh9568/TDDBench.

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VisualAgentBench: Towards Large Multimodal Models as Visual Foundation Agents

ICLR
2025

Xiao Liu, Tianjie Zhang, Yu Gu, Iat Long Iong, Song XiXuan, Yifan Xu, Shudan Zhang, Hanyu Lai, Jiadai Sun, Xinyue Yang, Yu Yang, Zehan Qi, Shuntian Yao, Xueqiao Sun, Siyi Cheng, Qinkai Zheng, Hao Yu, Hanchen Zhang, Wenyi Hong, Ming Ding, Lihang Pan, Xiaotao Gu, Aohan Zeng, Zhengxiao Du, Chan Hee Song, Yu Su, Yuxiao Dong, Jie Tang

Large Multimodal Models (LMMs) have ushered in a new era in artificial intelligence, merging capabilities in both language and vision to form highly capable \textbf{Visual Foundation Agents} that are postulated to excel across a myriad of tasks. However, existing benchmarks fail to sufficiently challenge or showcase the full potential of LMMs as visual foundation agents in complex, real-world environments. To address this gap, we introduce VisualAgentBench (VAB), a comprehensive and unified benchmark specifically designed to train and evaluate LMMs as visual foundation agents across diverse scenarios in one standard setting, including Embodied, Graphical User Interface, and Visual Design, with tasks formulated to probe the depth of LMMs' understanding and interaction capabilities. Through rigorous testing across 9 proprietary LMM APIs and 9 open models (18 in total), we demonstrate the considerable yet still developing visual agent capabilities of these models. Additionally, VAB explores the synthesizing of visual agent trajectory data through hybrid methods including Program-based Solvers, LMM Agent Bootstrapping, and Human Demonstrations, offering insights into obstacles, solutions, and trade-offs one may meet in developing open LMM agents. Our work not only aims to benchmark existing models but also provides an instrumental playground for future development into visual foundation agents. Code, train, and test data are available at \url{https://github.com/THUDM/VisualAgentBench}.

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ReMatching Dynamic Reconstruction Flow

ICLR
2025

Sara Oblak, Despoina Paschalidou, Sanja Fidler, Matan Atzmon

Reconstructing a dynamic scene from image inputs is a fundamental computervision task with many downstream applications. Despite recent advancements, existing approaches still struggle to achieve high-quality reconstructions from unseen viewpoints and timestamps. This work introduces the ReMatching framework, designed to improve reconstruction quality by incorporating deformation priors into dynamic reconstruction models. Our approach advocates for velocity-field based priors, for which we suggest a matching procedure that can seamlessly supplement existing dynamic reconstruction pipelines. The framework is highly adaptable and can be applied to various dynamic representations. Moreover, it supports integrating multiple types of model priors and enables combining simpler ones to create more complex classes. Our evaluations on popular benchmarks involving both synthetic and real-world dynamic scenes demonstrate that augmenting current state-of-the-art methods with our approach leads to a clear improvement in reconstruction accuracy.

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Geometry-Aware Approaches for Balancing Performance and Theoretical Guarantees in Linear Bandits

ICLR
2025

Yuwei Luo, Mohsen Bayati

This paper is motivated by recent research in the d-dimensional stochastic linear bandit literature, which has revealed an unsettling discrepancy: algorithms like Thompson sampling and Greedy demonstrate promising empirical performance, yet this contrasts with their pessimistic theoretical regret bounds. The challenge arises from the fact that while these algorithms may perform poorly in certain problem instances, they generally excel in typical instances. To address this, we propose a new data-driven technique that tracks the geometric properties of the uncertainty ellipsoid around the main problem parameter. This methodology enables us to formulate a data-driven frequentist regret bound, which incorporates the geometric information, for a broad class of base algorithms, including Greedy, OFUL, and Thompson sampling. This result allows us to identify and ``course-correct" problem instances in which the base algorithms perform poorly. The course-corrected algorithms achieve the minimax optimal regret of order O~(dT​) for a T-period decision-making scenario, effectively maintaining the desirable attributes of the base algorithms, including their empirical efficacy. We present simulation results to validate our findings using synthetic and real data.

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ClimaQA: An Automated Evaluation Framework for Climate Question Answering Models

ICLR
2025

Veeramakali Vignesh Manivannan, Yasaman Jafari, Srikar Eranky, Spencer Ho, Rose Yu, Duncan Watson-Parris, Yian Ma, Leon Bergen, Taylor Berg-Kirkpatrick

The use of Large Language Models (LLMs) in climate science has recently gained significant attention. However, a critical issue remains: the lack of a comprehensive evaluation framework capable of assessing the quality and scientific validity of model outputs. To address this issue, we develop *ClimaGen* (Climate QA Generator), an adaptive learning framework that generates question-answer pairs from graduate textbooks with climate scientists in the loop. As a result, we present *ClimaQA-Gold*, an expert-annotated benchmark dataset alongside *ClimaQA-Silver*, a large-scale, comprehensive synthetic QA dataset for climate science. Finally, we develop evaluation strategies and compare different LLMs on our benchmarks. Our results offer novel insights into various approaches used to enhance knowledge of climate LLMs. ClimaQA’s source code is publicly available at https://github.com/Rose-STL-Lab/genie-climaqa

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Robust Function-Calling for On-Device Language Model via Function Masking

ICLR
2025

Qiqiang Lin, Muning Wen, Qiuying Peng, Guanyu Nie, Junwei Liao, Jun Wang, Xiaoyun Mo, Jiamu Zhou, Cheng Cheng, Yin Zhao, Jun Wang, Weinan Zhang

Large language models have demonstrated impressive value in performing as autonomous agents when equipped with external tools and API calls. Nonetheless, effectively harnessing their potential for executing complex tasks crucially relies on enhancements in their function-calling capabilities. This paper identifies a critical gap in existing function-calling models, where performance varies significantly across benchmarks, often due to over-fitting to specific naming conventions. To address such an issue, we introduce Hammer, a novel family of foundation models specifically engineered for on-device function calling. Hammer employs an augmented dataset that enhances models’ sensitivity to irrelevant functions and incorporates function masking techniques to minimize over-fitting. Our empirical evaluations reveal that Hammer not only outperforms larger models but also demonstrates robust generalization across diverse benchmarks, achieving state-of-the-art results. Our open-source contributions include a specialized dataset for irrelevance detection, a tuning framework for enhanced generalization, and the Hammer models, establishing a new standard for function-calling performance.

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Gaussian Mixture Solvers for Diffusion Models

NeurIPS
2023

Guo, Hanzhong, Lu, Cheng, Bao, Fan, Pang, Tianyu, Yan, Shuicheng, Du, Chao, LI, Chongxuan

Recently, diffusion models have achieved great success in generative tasks. Sampling from diffusion models is equivalent to solving the reverse diffusion stochastic differential equations (SDEs) or the corresponding probability flow ordinary differential equations (ODEs). In comparison, SDE-based solvers can generate samples of higher quality and are suited for image translation tasks like stroke-based synthesis. During inference, however, existing SDE-based solvers are severely constrained by the efficiency-effectiveness dilemma. Our investigation suggests that this is because the Gaussian assumption in the reverse transition kernel is frequently violated (even in the case of simple mixture data) given a limited number of discretization steps. To overcome this limitation, we introduce a novel class of SDE-based solvers called \emph{Gaussian Mixture Solvers (GMS)} for diffusion models. Our solver estimates the first three-order moments and optimizes the parameters of a Gaussian mixture transition kernel using generalized methods of moments in each step during sampling. Empirically, our solver outperforms numerous SDE-based solvers in terms of sample quality in image generation and stroke-based synthesis in various diffusion models, which validates the motivation and effectiveness of GMS. Our code is available at https://github.com/Guohanzhong/GMS.

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Multi-Robot Motion Planning with Diffusion Models

ICLR
2025

Yorai Shaoul, Itamar Mishani, Shivam Vats, Jiaoyang Li, Maxim Likhachev

Diffusion models have recently been successfully applied to a wide range of robotics applications for learning complex multi-modal behaviors from data. However, prior works have mostly been confined to single-robot and small-scale environments due to the high sample complexity of learning multi-robot diffusion models. In this paper, we propose a method for generating collision-free multi-robot trajectories that conform to underlying data distributions while using only single-robot data. Our algorithm, Multi-robot Multi-model planning Diffusion (MMD), does so by combining learned diffusion models with classical search-based techniques---generating data-driven motions under collision constraints. Scaling further, we show how to compose multiple diffusion models to plan in large environments where a single diffusion model fails to generalize well. We demonstrate the effectiveness of our approach in planning for dozens of robots in a variety of simulated scenarios motivated by logistics environments.

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Quality over Quantity in Attention Layers: When Adding More Heads Hurts

ICLR
2025

Noah Amsel, Gilad Yehudai, Joan Bruna

Attention-based mechanisms are widely used in machine learning, most prominently in transformers. However, hyperparameters such as the number of attention heads and the attention rank (i.e., the query/key dimension) are set nearly the same way in all realizations of this architecture, without theoretical justification. In this paper, we prove that the rank can have a dramatic effect on the representational capacity of attention. This effect persists even when the number of heads and the parameter count are very large. Specifically, we present a simple and natural target function based on nearest neighbor search that can be represented using a single full-rank attention head for any sequence length, but that cannot be approximated by a low-rank attention layer even on short sequences unless the number of heads is exponential in the embedding dimension. Thus, for this target function, rank is what determines an attention layer's power. We show that, for short sequences, using multiple layers allows the target to be approximated by low-rank attention; for long sequences, we conjecture that full-rank attention is necessary regardless of depth. Finally, we present experiments with standard multilayer transformers that validate our theoretical findings. They demonstrate that, because of how standard transformer implementations set the rank, increasing the number of attention heads can severely decrease accuracy on certain tasks.

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DyCAST: Learning Dynamic Causal Structure from Time Series

ICLR
2025

Yue Cheng, Bochen Lyu, Weiwei Xing, Zhanxing Zhu

Understanding the dynamics of causal structures is crucial for uncovering the underlying processes in time series data. Previous approaches rely on static assumptions, where contemporaneous and time-lagged dependencies are assumed to have invariant topological structures. However, these models fail to capture the evolving causal relationship between variables when the underlying process exhibits such dynamics. To address this limitation, we propose DyCAST, a novel framework designed to learn dynamic causal structures in time series using Neural Ordinary Differential Equations (Neural ODEs). The key innovation lies in modeling the temporal dynamics of the contemporaneous structure, drawing inspiration from recent advances in Neural ODEs on constrained manifolds. We reformulate the task of learning causal structures at each time step as solving the solution trajectory of a Neural ODE on the directed acyclic graph (DAG) manifold. To accommodate high-dimensional causal structures, we extend DyCAST by learning the temporal dynamics of the hidden state for contemporaneous causal structure. Experiments on both synthetic and real-world datasets demonstrate that DyCAST achieves superior or comparable performance compared to existing causal discovery models.

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MUVERA: Multi-Vector Retrieval via Fixed Dimensional Encoding

NeurIPS
2024

Jayaram, Rajesh, Dhulipala, Laxman, Hadian, Majid, Lee, Jason D., Mirrokni, Vahab

Neural embedding models have become a fundamental component of modern information retrieval (IR) pipelines. These models produce a single embedding x∈Rd per data-point, allowing for fast retrieval via highly optimized maximum inner product search (MIPS) algorithms. Recently, beginning with the landmark ColBERT paper, multi-vector models, which produce a set of embedding per data point, have achieved markedly superior performance for IR tasks. Unfortunately, using these models for IR is computationally expensive due to the increased complexity of multi-vector retrieval and scoring. In this paper, we introduce MUVERA (MUlti-VEctor Retrieval Algorithm), a retrieval mechanism which reduces multi-vector similarity search to single-vector similarity search. This enables the usage of off-the-shelf MIPS solvers for multi-vector retrieval. MUVERA asymmetrically generates Fixed Dimensional Encodings (FDEs) of queries and documents, which are vectors whose inner product approximates multi-vector similarity. We prove that FDEs give high-quality ϵ-approximations, thus providing the first single-vector proxy for multi-vector similarity with theoretical guarantees. Empirically, we find that FDEs achieve the same recall as prior state-of-the-art heuristics while retrieving 2-5× fewer candidates. Compared to prior state of the art implementations, MUVERA achieves consistently good end-to-end recall and latency across a diverse set of the BEIR retrieval datasets, achieving an average of 10% improved recall with 90% lower latency.

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Neural Dueling Bandits: Preference-Based Optimization with Human Feedback

ICLR
2025

Arun Verma, Zhongxiang Dai, Xiaoqiang Lin, Patrick Jaillet, Bryan Kian Hsiang Low

Contextual dueling bandit is used to model the bandit problems, where a learner's goal is to find the best arm for a given context using observed noisy human preference feedback over the selected arms for the past contexts. However, existing algorithms assume the reward function is linear, which can be complex and non-linear in many real-life applications like online recommendations or ranking web search results. To overcome this challenge, we use a neural network to estimate the reward function using preference feedback for the previously selected arms. We propose upper confidence bound- and Thompson sampling-based algorithms with sub-linear regret guarantees that efficiently select arms in each round. We also extend our theoretical results to contextual bandit problems with binary feedback, which is in itself a non-trivial contribution. Experimental results on the problem instances derived from synthetic datasets corroborate our theoretical results.

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Beyond Graphs: Can Large Language Models Comprehend Hypergraphs?

ICLR
2025

Yifan Feng, Chengwu Yang, Xingliang Hou, Shaoyi Du, Shihui Ying, Zongze Wu, Yue Gao

Existing benchmarks like NLGraph and GraphQA evaluate LLMs on graphs by focusing mainly on pairwise relationships, overlooking the high-order correlations found in real-world data. Hypergraphs, which can model complex beyond-pairwise relationships, offer a more robust framework but are still underexplored in the context of LLMs. To address this gap, we introduce LLM4Hypergraph, the first comprehensive benchmark comprising 21,500 problems across eight low-order, five high-order, and two isomorphism tasks, utilizing both synthetic and real-world hypergraphs from citation networks and protein structures. We evaluate six prominent LLMs, including GPT-4o, demonstrating our benchmark’s effectiveness in identifying model strengths and weaknesses. Our specialized prompt- ing framework incorporates seven hypergraph languages and introduces two novel techniques, Hyper-BAG and Hyper-COT, which enhance high-order reasoning and achieve an average 4% (up to 9%) performance improvement on structure classification tasks. This work establishes a foundational testbed for integrating hypergraph computational capabilities into LLMs, advancing their comprehension.

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Dynam3D: Dynamic Layered 3D Tokens Empower VLM for Vision-and-Language Navigation

NeurIPS
2025

Zihan Wang, Seungjun Lee, Gim Hee Lee

Vision-and-Language Navigation (VLN) is a core task where embodied agents leverage their spatial mobility to navigate in 3D environments toward designated destinations based on natural language instructions. Recently, video-language large models (Video-VLMs) with strong generalization capabilities and rich commonsense knowledge have shown remarkable performance when applied to VLN tasks. However, these models still encounter the following challenges when applied to real-world 3D navigation: 1) Insufficient understanding of 3D geometry and spatial semantics; 2) Limited capacity for large-scale exploration and long-term environmental memory; 3) Poor adaptability to dynamic and changing environments.To address these limitations, we propose Dynam3D, a dynamic layered 3D representation model that leverages language-aligned, generalizable, and hierarchical 3D representations as visual input to train 3D-VLM in navigation action prediction. Given posed RGB-D images, our Dynam3D projects 2D CLIP features into 3D space and constructs multi-level 3D patch-instance-zone representations for 3D geometric and semantic understanding with a dynamic and layer-wise update strategy. Our Dynam3D is capable of online encoding and localization of 3D instances, and dynamically updates them in changing environments to provide large-scale exploration and long-term memory capabilities for navigation. By leveraging large-scale 3D-language pretraining and task-specific adaptation, our Dynam3D sets new state-of-the-art performance on VLN benchmarks including R2R-CE, REVERIE-CE and NavRAG-CE under monocular settings. Furthermore, experiments for pre-exploration, lifelong memory, and real-world robot validate the effectiveness of practical deployment.

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Hierarchical Hybrid Sliced Wasserstein: A Scalable Metric for Heterogeneous Joint Distributions

NeurIPS
2024

Nguyen, Khai, Ho, Nhat

Sliced Wasserstein (SW) and Generalized Sliced Wasserstein (GSW) have been widely used in applications due to their computational and statistical scalability. However, the SW and the GSW are only defined between distributions supported on a homogeneous domain. This limitation prevents their usage in applications with heterogeneous joint distributions with marginal distributions supported on multiple different domains. Using SW and GSW directly on the joint domains cannot make a meaningful comparison since their homogeneous slicing operator, i.e., Radon Transform (RT) and Generalized Radon Transform (GRT) are not expressive enough to capture the structure of the joint supports set. To address the issue, we propose two new slicing operators, i.e., Partial Generalized Radon Transform (PGRT) and Hierarchical Hybrid Radon Transform (HHRT). In greater detail, PGRT is the generalization of Partial Radon Transform (PRT), which transforms a subset of function arguments non-linearly while HHRT is the composition of PRT and multiple domain-specific PGRT on marginal domain arguments. By using HHRT, we extend the SW into Hierarchical Hybrid Sliced Wasserstein (H2SW) distance which is designed specifically for comparing heterogeneous joint distributions. We then discuss the topological, statistical, and computational properties of H2SW. Finally, we demonstrate the favorable performance of H2SW in 3D mesh deformation, deep 3D mesh autoencoders, and datasets comparison.

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THE ROBUSTNESS OF DIFFERENTIABLE CAUSAL DISCOVERY IN MISSPECIFIED SCENARIOS

ICLR
2025

Huiyang Yi, Yanyan He, Duxin Chen, Mingyu Kang, He Wang, Wenwu Yu

Causal discovery aims to learn causal relationships between variables from targeted data, making it a fundamental task in machine learning. However, causal discovery algorithms often rely on unverifiable causal assumptions, which are usually difficult to satisfy in real-world data, thereby limiting the broad application of causal discovery in practical scenarios. Inspired by these considerations, this work extensively benchmarks the empirical performance of various mainstream causal discovery algorithms, which assume i.i.d. data, under eight model assumption violations. Our experimental results show that differentiable causal discovery methods exhibit robustness under the metrics of Structural Hamming Distance and Structural Intervention Distance of the inferred graphs in commonly used challenging scenarios, except for scale variation. We also provide the theoretical explanations for the performance of differentiable causal discovery methods. Finally, our work aims to comprehensively benchmark the performance of recent differentiable causal discovery methods under model assumption violations, and provide the standard for reasonable evaluation of causal discovery, as well as to further promote its application in real-world scenarios.

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6DGS: Enhanced Direction-Aware Gaussian Splatting for Volumetric Rendering

ICLR
2025

Zhongpai Gao, Benjamin Planche, Meng Zheng, Anwesa Choudhuri, Terrence Chen, Ziyan Wu

Novel view synthesis has advanced significantly with the development of neural radiance fields (NeRF) and 3D Gaussian splatting (3DGS). However, achieving high quality without compromising real-time rendering remains challenging, particularly for physically-based rendering using ray/path tracing with view-dependent effects. Recently, N-dimensional Gaussians (N-DG) introduced a 6D spatial-angular representation to better incorporate view-dependent effects, but the Gaussian representation and control scheme are sub-optimal. In this paper, we revisit 6D Gaussians and introduce 6D Gaussian Splatting (6DGS), which enhances color and opacity representations and leverages the additional directional information in the 6D space for optimized Gaussian control. Our approach is fully compatible with the 3DGS framework and significantly improves real-time radiance field rendering by better modeling view-dependent effects and fine details. Experiments demonstrate that 6DGS significantly outperforms 3DGS and N-DG, achieving up to a 15.73 dB improvement in PSNR with a reduction of 66.5\% Gaussian points compared to 3DGS. The project page is: https://gaozhongpai.github.io/6dgs/.

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The Randomized Dependence Coefficient

NeurIPS
2013

Lopez-Paz, David, Hennig, Philipp, Schölkopf, Bernhard

We introduce the Randomized Dependence Coefficient (RDC), a measure of non-linear dependence between random variables of arbitrary dimension based on the Hirschfeld-Gebelein-Rényi Maximum Correlation Coefficient. RDC is defined in terms of correlation of random non-linear copula projections; it is invariant with respect to marginal distribution transformations, has low computational cost and is easy to implement: just five lines of R code, included at the end of the paper.

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Trust or Escalate: LLM Judges with Provable Guarantees for Human Agreement

ICLR
2025

Jaehun Jung, Faeze Brahman, Yejin Choi

We present a principled approach to provide LLM-based evaluation with a rigorous guarantee of human agreement. We first propose that a reliable evaluation method should not uncritically rely on model preferences for pairwise evaluation, but rather assess the confidence of judge models and selectively decide when to trust its judgement. We then show that under this *selective evaluation* framework, human agreement can be provably guaranteed---such that the model evaluation aligns with that of humans to a user-specified agreement level. As part of our framework, we also introduce *Simulated Annotators*, a novel confidence estimation method that significantly improves judge calibration and thus enables high coverage of evaluated instances. Finally, we propose *Cascaded Selective Evaluation*, where we use cheaper models as initial judges and escalate to stronger models only when necessary---again, while still providing a provable guarantee of human agreement. Experimental results show that Cascaded Selective Evaluation guarantees strong alignment with humans, far beyond what LLM judges could achieve without selective evaluation. For example, on a subset of Chatbot Arena where GPT-4 almost never achieves 80% human agreement, our method, even while employing substantially cost-effective models such as Mistral-7B, *guarantees* over 80% human agreement with almost 80% test coverage.

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CraftRTL: High-quality Synthetic Data Generation for Verilog Code Models with Correct-by-Construction Non-Textual Representations and Targeted Code Repair

ICLR
2025

Mingjie Liu, Yun-Da Tsai, Wenfei Zhou, Haoxing Ren

Despite the significant progress made in code generation with large language models, challenges persist, especially with hardware description languages such as Verilog. This paper first presents an analysis of fine-tuned LLMs on Verilog coding, with synthetic data from prior methods. We identify two main issues: difficulties in handling non-textual representations (Karnaugh maps, state-transition diagrams and waveforms) and significant variability during training with models randomly making ''minor'' mistakes. To address these limitations, we enhance data curation by creating correct-by-construction data targeting non-textual representations. Additionally, we introduce an automated framework that generates error reports from various model checkpoints and injects these errors into open-source code to create targeted code repair data. Our fine-tuned Starcoder2-15B outperforms prior state-of-the-art results by 3.8\%, 10.9\%, 6.6\% for pass@1 on VerilogEval-Machine, VerilogEval-Human, and RTLLM.

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Residual Stream Analysis of Overfitting And Structural Disruptions

NeurIPS
2025

Quan Liu, Han Zhou, Wenquan Wu, Hua Wu, Sen Su

Ensuring that large language models (LLMs) remain both helpful and harmless poses a significant challenge: fine-tuning on repetitive safety datasets—where unsafe prompts are paired with standard refusal templates—often leads to \emph{false refusals}, in which benign queries are declined. We first quantify this effect, showing that safety data exhibits substantially lower token entropy (H1​≈9.18) and 2-gram diversity (≈ 0.048) compared to general instruction data (H1​≈12.05, 2-gram≈0.205). To uncover the root cause, we introduce \emph{FlowLens}, a stable PCA-based tool for residual-stream geometry analysis, and reveal that higher proportions of safety examples concentrate variance along a few components, reducing representational smoothness and driving false refusals (false refusal rate rises from 63\% to 84\% as safety data increases from 0\% to 40\%). Guided by these insights, we propose \emph{Variance Concentration Loss} (VCL), an auxiliary regularizer that penalizes excessive variance concentration in mid-layer residuals. Empirical results demonstrate that VCL reduces false refusals by over 35 percentage points while maintaining or improving performance on general benchmarks such as MMLU and GSM8K.

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Instance-dependent Sample Complexity Bounds for Zero-sum Matrix Games

AISTATS
2023

Arnab Maiti, Kevin Jamieson, Lillian Ratliff

We study the sample complexity of identifying an approximate equilibrium for two-player zero-sum n×2 matrix games. That is, in a sequence of repeated game plays, how many rounds must the two players play before reaching an approximate equilibrium (e.g., Nash)? We derive instance-dependent bounds that define an ordering over game matrices that captures the intuition that the dynamics of some games converge faster than others. Specifically, we consider a stochastic observation model such that when the two players choose actions i and j, respectively, they both observe each other’s played actions and a stochastic observation Xij​ such that E[Xij​]=Aij​. To our knowledge, our work is the first case of instance-dependent lower bounds on the number of rounds the players must play before reaching an approximate equilibrium in the sense that the number of rounds depends on the specific properties of the game matrix A as well as the desired accuracy. We also prove a converse statement: there exist player strategies that achieve this lower bound.

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Lovász Principle for Unsupervised Graph Representation Learning

NeurIPS
2023

Sun, Ziheng, Ding, Chris, Fan, Jicong

This paper focuses on graph-level representation learning that aims to represent graphs as vectors that can be directly utilized in downstream tasks such as graph classification. We propose a novel graph-level representation learning principle called Lovász principle, which is motivated by the Lovász number in graph theory. The Lovász number of a graph is a real number that is an upper bound for graph Shannon capacity and is strongly connected with various global characteristics of the graph. Specifically, we show that the handle vector for computing the Lovász number is potentially a suitable choice for graph representation, as it captures a graph's global properties, though a direct application of the handle vector is difficult and problematic. We propose to use neural networks to address the problems and hence provide the Lovász principle. Moreover, we propose an enhanced Lovász principle that is able to exploit the subgraph Lovász numbers directly and efficiently. The experiments demonstrate that our Lovász principles achieve competitive performance compared to the baselines in unsupervised and semi-supervised graph-level representation learning tasks. The code of our Lovász principles is publicly available on GitHub.

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3D Vision-Language Gaussian Splatting

ICLR
2025

Qucheng Peng, Benjamin Planche, Zhongpai Gao, Meng Zheng, Anwesa Choudhuri, Terrence Chen, Chen Chen, Ziyan Wu

Recent advancements in 3D reconstruction methods and vision-language models have propelled the development of multi-modal 3D scene understanding, which has vital applications in robotics, autonomous driving, and virtual/augmented reality. However, current multi-modal scene understanding approaches have naively embedded semantic representations into 3D reconstruction methods without striking a balance between visual and language modalities, which leads to unsatisfying semantic rasterization of translucent or reflective objects, as well as over-fitting on color modality. To alleviate these limitations, we propose a solution that adequately handles the distinct visual and semantic modalities, i.e., a 3D vision-language Gaussian splatting model for scene understanding, to put emphasis on the representation learning of language modality. We propose a novel cross-modal rasterizer, using modality fusion along with a smoothed semantic indicator for enhancing semantic rasterization. We also employ a camera-view blending technique to improve semantic consistency between existing and synthesized views, thereby effectively mitigating over-fitting. Extensive experiments demonstrate that our method achieves state-of-the-art performance in open-vocabulary semantic segmentation, surpassing existing methods by a significant margin.

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Diffusion-based Neural Network Weights Generation

ICLR
2025

Bedionita Soro, Bruno Andreis, Hayeon Lee, Wonyong Jeong, Song Chong, Frank Hutter, Sung Ju Hwang

Transfer learning is a cornerstone of modern deep learning, yet it remains constrained by challenges in model selection and the overhead of extensive model storage. In this work, we present Diffusion-based Neural Network Weights Generation, D2NWG, a novel framework that leverages diffusion processes to synthesize task-specific network weights. By modeling the distribution of weights from a diverse ensemble of pretrained models and conditioning the generation process on dataset characteristics, task descriptions, and architectural specifications, D2NWG circumvents the need for storing and searching through massive model repositories. We evaluate D2NWG across multiple experimental settings. On in-distribution tasks, our framework achieves performance that is on par with or superior to conventional pretrained models, while also serving as an effective initialization strategy for novel domains, resulting in faster convergence and a 6\% improvement in few-shot learning scenarios. Extensive ablation studies further indicate that our approach scales robustly with increased diversity and volume of pretrained models. Moreover, D2NWG demonstrates significant promise for large language model applications. In evaluations on the OpenLM leaderboard, our method improved LLaMA-3-2-1B-Instruct performance by 3\% on challenging mathematical reasoning tasks, with a consistent gain of 0.36\% across a range of benchmarks. These findings establish D2NWG as a versatile and powerful framework for neural network weight generation, offering a scalable solution to the limitations of traditional transfer learning.

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Explainably Safe Reinforcement Learning

NeurIPS
2025

Sabine Rieder, Stefan Pranger, Debraj Chakraborty, Jan Kretinsky, Bettina Könighofer

Trust in a decision-making system requires both safety guarantees and the ability to interpret and understand its behavior. This is particularly important for learned systems, whose decision-making processes are often highly opaque. Shielding is a prominent model-based technique for enforcing safety in reinforcement learning. However, because shields are automatically synthesized using rigorous formal methods, their decisions are often similarly difficult for humans to interpret. Recently, decision trees became customary to represent controllers and policies. However, since shields are inherently non-deterministic, their decision tree representations become too large to be explainable in practice. To address this challenge, we propose a novel approach for explainable safe RL that enhances trust by providing human-interpretable explanations of the shield's decisions. Our method represents the shielding policy as a hierarchy of decision trees, offering top-down, case-based explanations. At design time, we use a world model to analyze the safety risks of executing actions in given states. Based on this risk analysis, we construct both the shield and a high-level decision tree that classifies states into risk categories (safe, critical, dangerous, unsafe), providing an initial explanation of why a given situation may be safety-critical. At runtime, we generate localized decision trees that explain which actions are allowed and why others are deemed unsafe. Altogether, our method facilitates the explainability of the safety aspect in the safe-by-shielding reinforcement learning. Our framework requires no additional information beyond what is already used for shielding, incurs minimal overhead, and can be readily integrated into existing shielded RL pipelines. In our experiments, we compute explanations using decision trees that are several orders of magnitude smaller than the original shield.

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Improving the Straight-Through Estimator with Zeroth-Order Information

NeurIPS
2025

Ningfeng Yang, Tor Aamodt

We study the problem of training neural networks with quantized parameters. Learning low-precision quantized parameters by enabling computation of gradients via the Straight-Through Estimator (STE) can be challenging. While the STE enables back-propagation, which is a first-order method, recent works have explored the use of zeroth-order (ZO) gradient descent for fine-tuning. We note that the STE provides high-quality biased gradients, and ZO gradients are unbiased but can be expensive. We thus propose First-Order-Guided Zeroth-Order Gradient Descent (FOGZO) that reduces STE bias while reducing computations relative to ZO methods. Empirically, we show FOGZO improves the tradeoff between quality and training time in Quantization-Aware Pre-Training. Specifically, versus STE at the same number of iterations, we show a 1-8% accuracy improvement for DeiT Tiny/Small, 1-2% accuracy improvement on ResNet 18/50, and 1-22 perplexity point improvement for LLaMA models with up to 0.3 billion parameters. For the same loss, FOGZO yields a 796× reduction in computation versus n-SPSA for a 2-layer MLP on MNIST. Code is available at [https://github.com/1733116199/fogzo](https://github.com/1733116199/fogzo).

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Learning from Imperfect Human Feedback: A Tale from Corruption-Robust Dueling

ICLR
2025

Yuwei Cheng, Fan Yao, Xuefeng Liu, Haifeng Xu

This paper studies Learning from Imperfect Human Feedback (LIHF), addressing the potential irrationality or imperfect perception when learning from comparative human feedback. Building on evidences that human's imperfection decays over time (i.e., humans learn to improve), we cast this problem as a concave-utility continuous-action dueling bandit but under a restricted form of corruption: i.e., the corruption scale is decaying over time as tρ−1 for some ``imperfection rate'' ρ∈[0,1]. With T as the total number of iterations, we establish a regret lower bound of Ω(max{T​,Tρ}) for LIHF, even when ρ is known. For the same setting, we develop the Robustified Stochastic Mirror Descent for Imperfect Dueling (RoSMID) algorithm, which achieves nearly optimal regret O~(max{T​,Tρ}). Core to our analysis is a novel framework for analyzing gradient-based algorithms for dueling bandit under corruption, and we demonstrate its general applicability by showing how this framework can be easily applied to obtain corruption-robust guarantees for other popular gradient-based dueling bandit algorithms. Our theoretical results are validated by extensive experiments.

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Action-Conditional Recurrent Kalman Networks For Forward and Inverse Dynamics Learning

CoRL
2020

Vaisakh Shaj, Philipp Becker, Dieter Büchler, Harit Pandya, Niels van Duijkeren, C. James Taylor, Marc Hanheide, Gerhard Neumann

Estimating accurate forward and inverse dynamics models is a crucial component of model-based control for sophisticated robots such as robots driven by hydraulics, artificial muscles, or robots dealing with different contact situations. Analytic models to such processes are often unavailable or inaccurate due to complex hysteresis effects, unmodelled friction and stiction phenomena, and unknown effects during contact situations. A promising approach is to obtain spatio-temporal models in a data-driven way using recurrent neural networks, as they can overcome those issues. However, such models often do not meet accuracy demands sufficiently, degenerate in performance for the required high sampling frequencies and cannot provide uncertainty estimates. We adopt a recent probabilistic recurrent neural network architecture, called Recurrent Kalman Networks (RKNs), to model learning by conditioning its transition dynamics on the control actions. RKNs outperform standard recurrent networks such as LSTMs on many state estimation tasks.Inspired by Kalman filters, the RKN provides an elegant way to achieve action conditioning within its recurrent cell by leveraging additive interactions between the current latent state and the action variables. We present two architectures, one for forward model learning and one for inverse model learning. Both architectures significantly outperform existing model learning frameworks as well as analytical models in terms of prediction performance on a variety of real robot dynamics models.

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Mod-Adapter: Tuning-Free and Versatile Multi-concept Personalization via Modulation Adapter

ICLR
2026

Weizhi Zhong, Huan Yang, Zheng Liu, Huiguo He, Zijian He, Xuesong Niu, Di ZHANG, Guanbin Li

Personalized text-to-image generation aims to synthesize images of user-provided concepts in diverse contexts. Despite recent progress in multi-concept personalization, most are limited to object concepts and struggle to customize abstract concepts (e.g., pose, lighting). Some methods have begun exploring multi-concept personalization supporting abstract concepts, but they require test-time fine-tuning for each new concept, which is time-consuming and prone to overfitting on limited training images. In this work, we propose a novel tuning-free method for multi-concept personalization that can effectively customize both object and abstract concepts without test-time fine-tuning. Our method builds upon the modulation mechanism in pre-trained Diffusion Transformers (DiTs) model, leveraging the localized and semantically meaningful properties of the modulation space. Specifically, we propose a novel module, Mod-Adapter, to predict concept-specific modulation direction for the modulation process of concept-related text tokens. It introduces vision-language cross-attention for extracting concept visual features, and Mixture-of-Experts (MoE) layers that adaptively map the concept features into the modulation space. Furthermore, to mitigate the training difficulty caused by the large gap between the concept image space and the modulation space, we introduce a VLM-guided pre-training strategy that leverages the strong image understanding capabilities of vision-language models to provide semantic supervision signals. For a comprehensive comparison, we extend a standard benchmark by incorporating abstract concepts. Our method achieves state-of-the-art performance in multi-concept personalization, supported by quantitative, qualitative, and human evaluations.

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Beyond Circuit Connections: A Non-Message Passing Graph Transformer Approach for Quantum Error Mitigation

ICLR
2025

Tianyi Bao, Xinyu Ye, Hang Ruan, Chang Liu, Wenjie Wu, Junchi Yan

Despite the progress in quantum computing, one major bottleneck against the practical utility is its susceptibility to noise, which frequently occurs in current quantum systems. Existing quantum error mitigation (QEM) methods either lack generality to noise and circuit types or fail to capture the global dependencies of entire systems in addition to circuit structure. In this work, we first propose a unique circuit-to-graph encoding scheme with qubit-wise noisy measurement aggregated. Then, we introduce GTranQEM, a non-message passing graph transformer designed to mitigate errors in expected circuit measurement outcomes effectively. GTranQEM is equipped with a quantum-specific positional encoding, a structure matrix as attention bias guiding nonlocal aggregation, and a virtual quantum-representative node to further grasp graph representations, which guarantees to model the long-range entanglement. Experimental evaluations demonstrate that GTranQEM outperforms state-of-the-art QEM methods on both random and structured quantum circuits across noise types and scales among diverse settings.

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Target-Oriented Pretraining Data Selection via Neuron-Activated Graph

ICML
2026

Zijun Wang, Haoqin Tu, Weidong Zhou, Yiyang Zhou, Xiaohuan ZHOU, Bingni Zhang, Weiguo Feng, Taifeng Wang, Cihang Xie, Fengze Liu

Everyday tasks come with a target, and pretraining models around this target is what turns them into experts. In this paper, we study target-oriented language model (LM) pretraining by introducing ***N**euron-**A**ctivated **G**raph Ranking* (NAG-based Ranking), a training-free and interpretable framework for target pretraining data selection. Rather than using black-box representations, our approach directly characterizes each target input by a sparse set of high-impact neurons in any off-the-shelf LLMs. Concretely, we quantify neuron impact and select the most influential neurons across layers into a compact ***N**euron-**A**ctivated **G**raph* (NAG), and rank candidate data by NAG similarity to target examples. We conduct experiments across six benchmarks, where our NAG-based Ranking improves target-oriented pretraining by 4.9\% on average over random sampling, and also outperforms state-of-the-art baselines by 5.3\% accuracy on HellaSwag. It also remains effective under a more applicable multi-target setting, where our best setup surpasses two baselines by 1.1\% and 4.1\%, respectively. Furthermore, we provide a comprehensive analysis on *why* and *how* our NAG works, e.g., deactivating NAG-selected neurons (only 0.12\% of all) causes a 23.5\% performance collapse, and restricting NAG to the final layer incurs a 4.1\% average drop, indicating that NAG captures a sparse ``functional backbone'' for learning target features. We release the code at https://github.com/asillycat/NAG.

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How Different from the Past? Spatio-Temporal Time Series Forecasting with Self-Supervised Deviation Learning

NeurIPS
2025

Haotian Gao, Zheng Dong, Jiawei Yong, Shintaro Fukushima, Kenjiro Taura, Renhe Jiang

Spatio-temporal forecasting is essential for real-world applications such as traffic management and urban computing. Although recent methods have shown improved accuracy, they often fail to account for dynamic deviations between current inputs and historical patterns. These deviations contain critical signals that can significantly affect model performance. To fill this gap, we propose ST-SSDL, a S​patio-T​emporal time series forecasting framework that incorporates a S​elf-S​upervised D​eviation L​earning scheme to capture and utilize such deviations. ST-SSDL anchors each input to its historical average and discretizes the latent space using learnable prototypes that represent typical spatio-temporal patterns. Two auxiliary objectives are proposed to refine this structure: a contrastive loss that enhances inter-prototype discriminability and a deviation loss that regularizes the distance consistency between input representations and corresponding prototypes to quantify deviation. Optimized jointly with the forecasting objective, these components guide the model to organize its hidden space and improve generalization across diverse input conditions. Experiments on six benchmark datasets show that ST-SSDL consistently outperforms state-of-the-art baselines across multiple metrics. Visualizations further demonstrate its ability to adaptively respond to varying levels of deviation in complex spatio-temporal scenarios. Our code and datasets are available at https://github.com/Jimmy-7664/ST-SSDL.

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PURE: Prompt Evolution with Graph ODE for Out-of-distribution Fluid Dynamics Modeling

NeurIPS
2024

Wu, Hao, Wang, Changhu, Xu, Fan, Xue, Jinbao, Chen, Chong, Hua, Xian-Sheng, Luo, Xiao

This work studies the problem of out-of-distribution fluid dynamics modeling. Previous works usually design effective neural operators to learn from mesh-based data structures. However, in real-world applications, they would suffer from distribution shifts from the variance of system parameters and temporal evolution of the dynamical system. In this paper, we propose a novel approach named \underline{P}rompt Evol\underline{u}tion with G\underline{r}aph OD\underline{E} (\method{}) for out-of-distribution fluid dynamics modeling. The core of our \method{} is to learn time-evolving prompts using a graph ODE to adapt spatio-temporal forecasting models to different scenarios. In particular, our \method{} first learns from historical observations and system parameters in the frequency domain to explore multi-view context information, which could effectively initialize prompt embeddings. More importantly, we incorporate the interpolation of observation sequences into a graph ODE, which can capture the temporal evolution of prompt embeddings for model adaptation. These time-evolving prompt embeddings are then incorporated into basic forecasting models to overcome temporal distribution shifts. We also minimize the mutual information between prompt embeddings and observation embeddings to enhance the robustness of our model to different distributions. Extensive experiments on various benchmark datasets validate the superiority of the proposed \method{} in comparison to various baselines.

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Long-Context LLMs Meet RAG: Overcoming Challenges for Long Inputs in RAG

ICLR
2025

Bowen Jin, Jinsung Yoon, Jiawei Han, Sercan Arik

Retrieval-augmented generation (RAG) empowers large language models (LLMs) to utilize external knowledge sources. The increasing capacity of LLMs to process longer input sequences opens up avenues for providing more retrieved information, to potentially enhance the quality of generated outputs. From a long-context LLM perspective, it assumes that a larger retrieval set would contain more relevant information (higher recall), that might result in improved performance. However, our empirical findings demonstrate that for many long-context LLMs, the quality of generated output initially improves first, but then subsequently declines as the number of retrieved passages increases. This paper investigates this phenomenon, identifying the detrimental impact of retrieved "hard negatives" as a key contributor. To mitigate this and enhance the robustness of long-context LLM-based RAG, we propose both training-free and training-based approaches. We first showcase the effectiveness of retrieval reordering as a simple yet powerful training-free optimization. Furthermore, we explore training-based methods, specifically RAG-specific implicit LLM fine-tuning and RAG-oriented fine-tuning with intermediate reasoning, demonstrating their capacity for substantial performance gains. Finally, we conduct a systematic analysis of design choices for these training-based methods, including data distribution, retriever selection, and training context length.

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State Space Model Meets Transformer: A New Paradigm for 3D Object Detection

ICLR
2025

Chuxin Wang, Wenfei Yang, Xiang Liu, Tianzhu Zhang

DETR-based methods, which use multi-layer transformer decoders to refine object queries iteratively, have shown promising performance in 3D indoor object detection. However, the scene point features in the transformer decoder remain fixed, leading to minimal contributions from later decoder layers, thereby limiting performance improvement. Recently, State Space Models (SSM) have shown efficient context modeling ability with linear complexity through iterative interactions between system states and inputs. Inspired by SSMs, we propose a new 3D object DEtection paradigm with an interactive STate space model (DEST). In the interactive SSM, we design a novel state-dependent SSM parameterization method that enables system states to effectively serve as queries in 3D indoor detection tasks. In addition, we introduce four key designs tailored to the characteristics of point cloud and SSM: The serialization and bidirectional scanning strategies enable bidirectional feature interaction among scene points within the SSM. The inter-state attention mechanism models the relationships between state points, while the gated feed-forward network enhances inter-channel correlations. To the best of our knowledge, this is the first method to model queries as system states and scene points as system inputs, which can simultaneously update scene point features and query features with linear complexity. Extensive experiments on two challenging datasets demonstrate the effectiveness of our DEST-based method. Our method improves the GroupFree baseline in terms of AP50​ on ScanNet V2 (+5.3) and SUN RGB-D (+3.2) datasets. Based on the VDETR baseline, Our method sets a new state-of-the-art on the ScanNetV2 and SUN RGB-D datasets.

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