ICLR 2025 Papers

The growing deployment of reinforcement learning from human feedback (RLHF) calls for a deeper theoretical investigation of its underlying models. The prevalent models of RLHF do not account for neuroscience-backed, partially-observed "internal states'' that can affect human feedback, nor do they accommodate intermediate feedback during an interaction. Both of these can be instrumental in speeding up learning and improving alignment. To address these limitations, we model RLHF as reinforcement learning with partially observed reward-states (PORRL). We accommodate two kinds of feedback — cardinal and dueling feedback. We first demonstrate that PORRL subsumes a wide class of RL problems, including traditional RL, RLHF, and reward machines. For cardinal feedback, we present two model-based methods (POR-UCRL, POR-UCBVI). We give both cardinal regret and sample complexity guarantees for the methods, showing that they improve over naive history-summarization. We then discuss the benefits of a model-free method like GOLF with naive history-summarization in settings with recursive internal states and dense intermediate feedback. For this purpose, we define a new history aware version of the Bellman-eluder dimension and give a new guarantee for GOLF in our setting, which can be exponentially sharper in illustrative examples. For dueling feedback, we show that a naive reduction to cardinal feedback fails to achieve sublinear dueling regret. We then present the first explicit reduction that converts guarantees for cardinal regret to dueling regret. In both feedback settings, we show that our models and guarantees generalize and extend existing ones.

To overcome computational challenges of Optimal Transport (OT), several variants of Sliced Wasserstein (SW) has been developed in the literature. These approaches exploit the closed-form expression of the univariate OT by projecting measures onto one-dimensional lines. However, projecting measures onto low-dimensional spaces can lead to a loss of topological information. Tree-Sliced Wasserstein distance on Systems of Lines (TSW-SL) has emerged as a promising alternative that replaces these lines with a more intricate structure called tree systems. The tree structures enhance the ability to capture topological information of the metric while preserving computational efficiency. However, at the core of TSW-SL, the splitting maps, which serve as the mechanism for pushing forward measures onto tree systems, focus solely on the position of the measure supports while disregarding the projecting domains. Moreover, the specific splitting map used in TSW-SL leads to a metric that is not invariant under Euclidean transformations, a typically expected property for OT on Euclidean space. In this work, we propose a novel class of splitting maps that generalizes the existing one studied in TSW-SL enabling the use of all positional information from input measures, resulting in a novel Distance-based Tree-Sliced Wasserstein (*Db-TSW*) distance. In addition, we introduce a simple tree sampling process better suited for Db-TSW, leading to an efficient GPU-friendly implementation for tree systems, similar to the original SW. We also provide a comprehensive theoretical analysis of proposed class of splitting maps to verify the injectivity of the corresponding Radon Transform, and demonstrate that Db-TSW is an Euclidean invariant metric. We empirically show that Db-TSW significantly improves accuracy compared to recent SW variants while maintaining low computational cost via a wide range of experiments on gradient flows, image style transfer, and generative models.

Imitation learning, e.g., diffusion policy, has been proven effective in various robotic manipulation tasks. However, extensive demonstrations are required for policy robustness and generalization. To reduce the demonstration reliance, we leverage spatial symmetry and propose ET-SEED, an efficient trajectory-level SE(3) equivariant diffusion model for generating action sequences in complex robot manipulation tasks. Further, previous equivariant diffusion models require the per-step equivariance in the Markov process, making it difficult to learn policy under such strong constraints. We theoretically extend equivariant Markov kernels and simplify the condition of equivariant diffusion process, thereby significantly improving training efficiency for trajectory-level SE(3) equivariant diffusion policy in an end-to-end manner. We evaluate ET-SEED on representative robotic manipulation tasks, involving rigid body, articulated and deformable object. Experiments demonstrate superior data efficiency and manipulation proficiency of our proposed method, as well as its ability to generalize to unseen configurations with only a few demonstrations. Website: https://et-seed.github.io/

In the realm of large-scale language models, a significant challenge arises when extrapolating sequences beyond the maximum allowable length. This is because the model's position embedding mechanisms are limited to positions encountered during training, thus preventing effective representation of positions in longer sequences. We analyzed conventional position encoding methods for long contexts and found the following characteristics. (1) When the representation dimension is regarded as the time axis, Rotary Position Embedding (RoPE) can be interpreted as a restricted wavelet transform using Haar-like wavelets. However, because it uses only a fixed scale parameter, it does not fully exploit the advantages of wavelet transforms, which capture the fine movements of non-stationary signals using multiple scales (window sizes). This limitation could explain why RoPE performs poorly in extrapolation. (2) Previous research as well as our own analysis indicates that Attention with Linear Biases (ALiBi) functions similarly to windowed attention, using windows of varying sizes. However, it has limitations in capturing deep dependencies because it restricts the receptive field of the model. From these insights, we propose a new position representation method that captures multiple scales (i.e., window sizes) by leveraging wavelet transforms without limiting the model's attention field. Experimental results show that this new method improves the performance of the model in both short and long contexts. In particular, our method allows extrapolation of position information without limiting the model's attention field.

Effective asynchronous planning, or the ability to efficiently reason and plan over states and actions that must happen in parallel or sequentially, is essential for agents that must account for time delays, reason over diverse long-horizon tasks, and collaborate with other agents. While large language model (LLM) agents show promise in high-level task planning, current benchmarks focus primarily on short-horizon tasks and do not evaluate such asynchronous planning capabilities. We introduce Robotouille, a challenging benchmark environment designed to test LLM agents' ability to handle long-horizon asynchronous scenarios. Our synchronous and asynchronous datasets capture increasingly complex planning challenges that go beyond existing benchmarks, requiring agents to manage over- lapping tasks and interruptions Our results show that ReAct (gpt-4o) achieves 47% on synchronous tasks but only 11% on asynchronous tasks, highlighting significant room for improvement. We further analyze failure modes, demonstrating the need for LLM agents to better incorporate long-horizon feedback and self-audit their reasoning during task execution.

Recently, the comprehensive understanding of human motion has been a prominent area of research due to its critical importance in many fields. However, existing methods often prioritize specific downstream tasks and roughly align text and motion features within a CLIP-like framework. This results in a lack of rich semantic information which restricts a more profound comprehension of human motions, ultimately leading to unsatisfactory performance. Therefore, we propose a novel motion-language representation paradigm to enhance the interpretability of motion representations by constructing a universal motion-language space, where both motion and text features are concretely lexicalized, ensuring that each element of features carries specific semantic meaning. Specifically, we introduce a multi-phase strategy mainly comprising Lexical Bottlenecked Masked Language Modeling to enhance the language model's focus on high-entropy words crucial for motion semantics, Contrastive Masked Motion Modeling to strengthen motion feature extraction by capturing spatiotemporal dynamics directly from skeletal motion, Lexical Bottlenecked Masked Motion Modeling to enable the motion model to capture the underlying semantic features of motion for improved cross-modal understanding, and Lexical Contrastive Motion-Language Pretraining to align motion and text lexicon representations, thereby ensuring enhanced cross-modal coherence. Comprehensive analyses and extensive experiments across multiple public datasets demonstrate that our model achieves state-of-the-art performance across various tasks and scenarios.

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 $\tilde{\mathcal{O}}(d\sqrt{T})$ 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.

In the field of long-tailed recognition, the Decoupled Training paradigm has shown exceptional promise by dividing training into two stages: representation learning and classifier re-training. While previous work has tried to improve both stages simultaneously, this complicates isolating the effect of classifier re-training. Recent studies reveal that simple regularization can produce strong feature representations, highlighting the need to reassess classifier re-training methods. In this study, we revisit classifier re-training methods based on a unified feature representation and re-evaluate their performances. We propose two new metrics, Logits Magnitude and Regularized Standard Deviation, to compare the differences and similarities between various methods. Using these two newly proposed metrics, we demonstrate that when the Logits Magnitude across classes is nearly balanced, further reducing its overall value can effectively decrease errors and disturbances during training, leading to better model performance. Based on our analysis using these metrics, we observe that adjusting the logits could improve model performance, leading us to develop a simple label over-smoothing approach to adjust the logits without requiring prior knowledge of class distribution. This method softens the original one-hot labels by assigning a probability slightly higher than $\frac{1}{K}$ to the true class and slightly lower than $\frac{1}{K}$ to the other classes, where $K$ is the number of classes. Our method achieves state-of-the-art performance on various imbalanced datasets, including CIFAR100-LT, ImageNet-LT, and iNaturalist2018.

We address the problem of solving strongly convex and smooth minimization problems using stochastic gradient descent (SGD) algorithm with a constant step size. Previous works suggested to combine the Polyak-Ruppert averaging procedure with the Richardson-Romberg extrapolation to reduce the asymptotic bias of SGD at the expense of a mild increase of the variance. We significantly extend previous results by providing an expansion of the mean-squared error of the resulting estimator with respect to the number of iterations $n$. We show that the root mean-squared error can be decomposed into the sum of two terms: a leading one of order $\mathcal{O}(n^{-1/2})$ with explicit dependence on a minimax-optimal asymptotic covariance matrix, and a second-order term of order $\mathcal{O}(n^{-3/4})$, where the power $3/4$ is best known. We also extend this result to the higher-order moment bounds. Our analysis relies on the properties of the SGD iterates viewed as a time-homogeneous Markov chain. In particular, we establish that this chain is geometrically ergodic with respect to a suitably defined weighted Wasserstein semimetric.

We address the challenge of creating 3D assets for household articulated objects from a single image. Prior work on articulated object creation either requires multi-view multi-state input, or only allows coarse control over the generation process. These limitations hinder the scalability and practicality for articulated object modeling. In this work, we propose a method to generate articulated objects from a single image. Observing the object in a resting state from an arbitrary view, our method generates an articulated object that is visually consistent with the input image. To capture the ambiguity in part shape and motion posed by a single view of the object, we design a diffusion model that learns the plausible variations of objects in terms of geometry and kinematics. To tackle the complexity of generating structured data with attributes in multiple domains, we design a pipeline that produces articulated objects from high-level structure to geometric details in a coarse-to-fine manner, where we use a part connectivity graph and part abstraction as proxies. Our experiments show that our method outperforms the state-of-the-art in articulated object creation by a large margin in terms of the generated object realism, resemblance to the input image, and reconstruction quality.

We propose Scalable Mechanistic Neural Network (S-MNN), an enhanced neural network framework designed for scientific machine learning applications involving long temporal sequences. By reformulating the original Mechanistic Neural Network (MNN) (Pervez et al., 2024), we reduce the computational time and space complexities from cubic and quadratic with respect to the sequence length, respectively, to linear. This significant improvement enables efficient modeling of long-term dynamics without sacrificing accuracy or interpretability. Extensive experiments demonstrate that S-MNN matches the original MNN in precision while substantially reducing computational resources. Consequently, S-MNN can drop-in replace the original MNN in applications, providing a practical and efficient tool for integrating mechanistic bottlenecks into neural network models of complex dynamical systems. Source code is available at https://github.com/IST-DASLab/ScalableMNN.

A major challenge for Multi-Agent Systems (MAS) is enabling agents to adapt dynamically to diverse environments in which opponents and teammates may continually change. Agents trained using conventional methods tend to excel only within the confines of their training cohorts; their performance drops significantly when confronting unfamiliar agents. To address this shortcoming, we introduce Inverse Attention Agents that adopt concepts from the Theory of Mind (ToM) implemented algorithmically using an attention mechanism trained in an end-to-end manner. Crucial to determining the final actions of these agents, the weights in their attention model explicitly represent attention to different goals. We furthermore propose an inverse attention network that deduces the ToM of agents based on observations and prior actions. The network infers the attentional states of other agents, thereby refining the attention weights to adjust the agent's final action. We conduct experiments in a continuous environment, tackling demanding tasks encompassing cooperation, competition, and a blend of both. They demonstrate that the inverse attention network successfully infers the attention of other agents, and that this information improves agent performance. Additional human experiments show that, compared to baseline agent models, our inverse attention agents exhibit superior cooperation with humans and better emulate human behaviors.

Vertical federated learning trains models from feature-partitioned datasets across multiple clients, who collaborate without sharing their local data. Standard approaches assume that all feature partitions are available during both training and inference. Yet, in practice, this assumption rarely holds, as for many samples only a subset of the clients observe their partition. However, not utilizing incomplete samples during training harms generalization, and not supporting them during inference limits the utility of the model. Moreover, if any client leaves the federation after training, its partition becomes unavailable, rendering the learned model unusable. Missing feature blocks are therefore a key challenge limiting the applicability of vertical federated learning in real-world scenarios. To address this, we propose LASER-VFL, a vertical federated learning method for efficient training and inference of split neural network-based models that is capable of handling arbitrary sets of partitions. Our approach is simple yet effective, relying on the sharing of model parameters and on task-sampling to train a family of predictors. We show that LASER-VFL achieves a $\mathcal{O}({1}/{\sqrt{T}})$ convergence rate for nonconvex objectives and, under the Polyak-Łojasiewicz inequality, it achieves linear convergence to a neighborhood of the optimum. Numerical experiments show improved performance of LASER-VFL over the baselines. Remarkably, this is the case even in the absence of missing features. For example, for CIFAR-100, we see an improvement in accuracy of $19.3$\% when each of four feature blocks is observed with a probability of 0.5 and of $9.5$\% when all features are observed. The code for this work is available at https://github.com/Valdeira/LASER-VFL.

In spite of the great potential of large language models (LLMs) across various tasks, their deployment on resource-constrained devices remains challenging due to their excessive computational and memory demands. Quantization has emerged as an effective solution by storing weights in reduced precision. However, utilizing low precisions (i.e.~2/3-bit) to substantially alleviate the memory-boundedness of LLM decoding, still suffers from prohibitive performance drop. In this work, we argue that existing approaches fail to explore the diversity in computational patterns, redundancy, and sensitivity to approximations of the different phases of LLM inference, resorting to a uniform quantization policy throughout. Instead, we propose a novel phase-aware method that selectively allocates precision during different phases of LLM inference, achieving both strong context extraction during prefill and efficient memory bandwidth utilization during decoding. To further address the memory-boundedness of the decoding phase, we introduce Progressive Mixed-Precision Decoding (PMPD), a technique that enables the gradual lowering of precision deeper in the generated sequence, together with a spectrum of precision-switching schedulers that dynamically drive the precision-lowering decisions in either task-adaptive or prompt-adaptive manner. Extensive evaluation across diverse language tasks shows that when targeting Nvidia GPUs, PMPD achieves 1.4$-$12.2$\times$ speedup in matrix-vector multiplications over fp16 models, while when targeting an LLM-optimized NPU, our approach delivers a throughput gain of 3.8$-$8.0$\times$ over fp16 models and up to 1.54$\times$ over uniform quantization approaches while preserving the output quality.

Creating high-quality data for training robust language-instructed agents is a long-lasting challenge in embodied AI. In this paper, we introduce a Self-Refining Data Flywheel (SRDF) that generates high-quality and large-scale navigational instruction-trajectory pairs by iteratively refining the data pool through the collaboration between two models, the instruction generator and the navigator, without any human-in-the-loop annotation. Specifically, SRDF starts with using a base generator to create an initial data pool for training a base navigator, followed by applying the trained navigator to filter the data pool. This leads to higher-fidelity data to train a better generator, which can, in turn, produce higher-quality data for training the next-round navigator. Such a flywheel establishes a data self-refining process, yielding a continuously improved and highly effective dataset for large-scale language-guided navigation learning. Our experiments demonstrate that after several flywheel rounds, the navigator elevates the performance boundary from 70\% to 78\% SPL on the classic R2R test set, surpassing human performance (76\%) for the first time. Meanwhile, this process results in a superior generator, evidenced by a SPICE increase from 23.5 to 26.2, better than all previous VLN instruction generation methods. Finally, we demonstrate the scalability of our method through increasing environment and instruction diversity, and the generalization ability of our pre-trained navigator across various downstream navigation tasks, surpassing state-of-the-art methods by a large margin in all cases.

Diffusion models have been widely adopted in image and language generation and are now being applied to reinforcement learning. However, the application of diffusion models in offline cooperative Multi-Agent Reinforcement Learning (MARL) remains limited. Although existing studies explore this direction, they suffer from scalability or poor cooperation issues due to the lack of design principles for diffusion-based MARL. The Individual-Global-Max (IGM) principle is a popular design principle for cooperative MARL. By satisfying this principle, MARL algorithms achieve remarkable performance with good scalability. In this work, we extend the IGM principle to the Individual-Global-identically-Distributed (IGD) principle. This principle stipulates that the generated outcome of a multi-agent diffusion model should be identically distributed as the collective outcomes from multiple individual-agent diffusion models. We propose DoF, a diffusion factorization framework for Offline MARL. It uses noise factorization function to factorize a centralized diffusion model into multiple diffusion models. We theoretically show that the noise factorization functions satisfy the IGD principle. Furthermore, DoF uses data factorization function to model the complex relationship among data generated by multiple diffusion models. Through extensive experiments, we demonstrate the effectiveness of DoF. The source code is available at [https://github.com/xmu-rl-3dv/DoF](https://github.com/xmu-rl-3dv/DoF).

The increasing sizes of large language models (LLMs) result in significant computational overhead and memory usage when adapting these models to specific tasks or domains. Various parameter-efficient fine-tuning (PEFT) methods have been devised to mitigate these challenges by training a small set of parameters for the task-specific updates of the model weights. Among PEFT methods, LoRA stands out for its simplicity and efficiency, inspiring the development of a series of variants. However, LoRA and its successors disregard the knowledge that is noisy or irrelevant to the targeted task, detrimentally impacting model performance and leading to suboptimality. To address this limitation, we introduce Knowledge-aware Singular-value Adaptation (KaSA), a PEFT method that leverages singular value decomposition (SVD) with knowledge-aware singular values to dynamically activate knowledge based on its relevance to the task at hand. We conduct extensive experiments across a range of LLMs on tasks spanning natural language understanding (NLU), generation (NLG), instruction following, and commonsense reasoning. The experimental results demonstrate that KaSA consistently outperforms FFT and 14 popular PEFT baselines across 16 benchmarks and 4 synthetic datasets, underscoring our method's efficacy and adaptability. The source code of our method is available at https://github.com/juyongjiang/KaSA.

The training of large language models (LLMs) faces significant computational cost challenges, limiting their scalability toward artificial general intelligence (AGI) and broader adoption. With model sizes doubling approximately every 3.4 months and training costs escalating from 64 million USD for GPT-4 in 2020 to 191 million USD for Gemini Ultra in 2023, the economic burden has become unsustainable. While techniques such as quantization offer incremental improvements, they fail to address the fundamental computational bottleneck. In this work, we introduce DS-LLM, a novel framework that leverages dynamical system (DS)-based machines, which exploit Natural Annealing to rapidly converge to minimal energy states, yielding substantial efficiency gains. Unlike traditional methods, DS-LLM maps LLM components to optimization problems solvable via Hamiltonian configurations and utilizes continuous electric current flow in DS-machines for hardware-native gradient descent during training. We mathematically demonstrate the equivalence between conventional LLMs and DS-LLMs and present a method for transforming a trained LLM into a DS-LLM. Experimental evaluations across multiple model sizes demonstrate orders-of-magnitude improvements in speed and energy efficiency for both training and inference while maintaining consistent accuracy. Additionally, we provide an in-depth analysis of the challenges and potential solutions associated with this emerging computing paradigm, aiming to lay a solid foundation for future research.

Self-supervised learning (SSL) approaches have brought tremendous success across many tasks and domains. It has been argued that these successes can be attributed to a link between SSL and identifiable representation learning: Temporal structure and auxiliary variables ensure that latent representations are related to the true underlying generative factors of the data. Here, we deepen this connection and show that SSL can perform system identification in latent space. We propose dynamics contrastive learning, a framework to uncover linear, switching linear and non-linear dynamics under a non-linear observation model, give theoretical guarantees and validate them empirically.