ICLR 2025 Papers

Joint-embedding predictive architectures (JEPAs) have shown substantial promise in self-supervised representation learning, yet their application in generative modeling remains underexplored. Conversely, diffusion models have demonstrated significant efficacy in modeling arbitrary probability distributions. In this paper, we introduce Denoising with a Joint-Embedding Predictive Architecture (D-JEPA), pioneering the integration of JEPA within generative modeling. By recognizing JEPA as a form of masked image modeling, we reinterpret it as a generalized next-token prediction strategy, facilitating data generation in an auto-regressive manner. Furthermore, we incorporate diffusion loss to model the per-token probability distribution, enabling data generation in a continuous space. We also adapt flow matching loss as an alternative to diffusion loss, thereby enhancing the flexibility of D-JEPA. Empirically, with increased GFLOPs, D-JEPA consistently achieves lower FID scores with fewer training epochs, indicating its good scalability. Our base, large, and huge models outperform all previous generative models across all scales on ImageNet conditional generation benchmarks. Beyond image generation, D-JEPA is well-suited for other continuous data modeling, including video and audio.

We present 4DiM, a cascaded diffusion model for 4D novel view synthesis (NVS), supporting generation with arbitrary camera trajectories and timestamps, in natural scenes, conditioned on one or more images. With a novel architecture and sampling procedure, we enable training on a mixture of 3D (with camera pose), 4D (pose+time) and video (time but no pose) data, which greatly improves generalization to unseen images and camera pose trajectories over prior works which generally operate in limited domains (e.g., object centric). 4DiM is the first-ever NVS method with intuitive metric-scale camera pose control enabled by our novel calibration pipeline for structure-from-motion-posed data. Experiments demonstrate that 4DiM outperforms prior 3D NVS models both in terms of image fidelity and pose alignment, while also enabling the generation of scene dynamics. 4DiM provides a general framework for a variety of tasks including single-image-to-3D, two-image-to-video (interpolation and extrapolation), and pose-conditioned video-to-video translation, which we illustrate qualitatively on a variety of scenes. See https://4d-diffusion.github.io for video samples.

Large language models (LLMs) exhibit hallucinations (i.e., unfaithful or nonsensical information) when serving as AI assistants in various domains. Since hallucinations always come with truthful content in the LLM responses, previous factuality alignment methods that conduct response-level preference learning inevitably introduced noises during training. Therefore, this paper proposes a fine-grained factuality alignment method based on Direct Preference Optimization (DPO), called Mask-DPO. Incorporating sentence-level factuality as mask signals, Mask-DPO only learns from factually correct sentences in the preferred samples and prevents the penalty on factual contents in the not preferred samples, which resolves the ambiguity in the preference learning. Extensive experimental results demonstrate that Mask-DPO can significantly improve the factuality of LLMs responses to questions from both in-domain and out-of-domain datasets, although these questions and their corresponding topics are unseen during training. Only trained on the ANAH train set, the score of Llama3.1-8B-Instruct on the ANAH test set is improved from 49.19% to 77.53%, even surpassing the score of Llama3.1-70B-Instruct (53.44%), while its FactScore on the out-of-domain Biography dataset is also improved from 30.29% to 39.39%. We further study the generalization property of Mask-DPO using different training sample scaling strategies and find that scaling the number of topics in the dataset is more effective than the number of questions. We provide a hypothesis of what factual alignment is doing with LLMs, on the implication of this phenomenon, and conduct proof-of-concept experiments to verify it. We hope the method and the findings pave the way for future research on scaling factuality alignment.

Generative masked transformer have demonstrated remarkable success across various content generation tasks, primarily due to their ability to effectively model large-scale dataset distributions with high consistency. However, in the animation domain, large datasets are not always available. Applying generative masked modeling to generate diverse instances from a single MoCap reference may lead to overfitting, a challenge that remains unexplored. In this work, we present MotionDreamer, a localized masked modeling paradigm designed to learn motion internal patterns from a given motion with arbitrary topology and duration. By embedding the given motion into quantized tokens with a novel distribution regularization method, MotionDreamer constructs a robust and informative codebook for local motion patterns. Moreover, a sliding window local attention is introduced in our masked transformer, enabling the generation of natural yet diverse animations that closely resemble the reference motion patterns. As demonstrated through comprehensive experiments, MotionDreamer outperforms the state-of-the-art methods that are typically GAN or Diffusion-based in both faithfulness and diversity. Thanks to the consistency and robustness of quantization-based approach, MotionDreamer can also effectively perform downstream tasks such as temporal motion editing, crowd motion synthesis, and beat-aligned dance generation, all using a single reference motion. Our implementation, learned models and results are to be made publicly available upon paper acceptance.

Several Riemannian manifolds in machine learning, such as Symmetric Positive Definite (SPD), Grassmann, spherical, and hyperbolic manifolds, have been proven to admit gyro structures, thus enabling a principled and effective extension of Euclidean Deep Neural Networks (DNNs) to manifolds. Inspired by this, this study introduces a general Riemannian Batch Normalization (RBN) framework on gyrogroups, termed GyroBN. We identify the least requirements to guarantee GyroBN with theoretical control over sample statistics, referred to as \textit{pseudo-reduction} and \textit{gyroisometric gyrations}, which are satisfied by all the existing gyrogroups in machine learning. Besides, our GyroBN incorporates several existing normalization methods, including the one on general Lie groups and different types of RBN on the non-group SPD geometry. Lastly, we instantiate our GyroBN on the Grassmannian and hyperbolic spaces. Experiments on the Grassmannian and hyperbolic networks demonstrate the effectiveness of our GyroBN. The code is available at https://github.com/GitZH-Chen/GyroBN.git.

This work aims to recover the underlying states and their time evolution in a latent dynamical system from high-dimensional sensory measurements. Previous works on identifiable representation learning in dynamical systems focused on identifying the latent states, often with linear transition approximations. As such, they cannot identify nonlinear transition dynamics, and hence fail to reliably predict complex future behavior. Inspired by the advances in nonlinear ICA, we propose a state-space modeling framework in which we can identify not just the latent states but also the unknown transition function that maps the past states to the present. Our identifiability theory relies on two key assumptions: (i) sufficient variability in the latent noise, and (ii) the bijectivity of the augmented transition function. Drawing from this theory, we introduce a practical algorithm based on variational auto-encoders. We empirically demonstrate that it improves generalization and interpretability of target dynamical systems by (i) recovering latent state dynamics with high accuracy, (ii) correspondingly achieving high future prediction accuracy, and (iii) adapting fast to new environments. Additionally, for complex real-world dynamics, (iv) it produces state-of the-art future prediction results for long horizons, highlighting its usefulness for practical scenarios.

Image retrieval is crucial in robotics and computer vision, with downstream applications in robot place recognition and vision-based product recommendations. Modern retrieval systems face two key challenges: scalability and efficiency. State-of-the-art image retrieval systems train specific neural networks for each dataset, an approach that lacks scalability. Furthermore, since retrieval speed is directly proportional to embedding size, existing systems that use large embeddings lack efficiency. To tackle scalability, recent works propose using off-the-shelf foundation models. However, these models, though applicable across datasets, fall short in achieving performance comparable to that of dataset-specific models. Our key observation is that, while foundation models capture necessary subtleties for effective retrieval, the underlying distribution of their embedding space can negatively impact cosine similarity searches. We introduce Autoencoders with Strong Variance Constraints (AE-SVC), which, when used for projection, significantly improves the performance of foundation models. We provide an in-depth theoretical analysis of AE-SVC. Addressing efficiency, we introduce Single-Shot Similarity Space Distillation ((SS)2D), a novel approach to learn embeddings with adaptive sizes that offers a better trade-off between size and performance. We conducted extensive experiments on four retrieval datasets, including Stan- ford Online Products (SoP) and Pittsburgh30k, using four different off-the-shelf foundation models, including DinoV2 and CLIP. AE-SVC demonstrates up to a 16% improvement in retrieval performance, while (SS)2D shows a further 10% improvement for smaller embedding sizes.

Decentralized federated learning (DFL) captures FL settings where both (i) model updates and (ii) model aggregations are exclusively carried out by the clients without a central server. Existing DFL works have mostly focused on settings where clients conduct a fixed number of local updates between local model exchanges, overlooking heterogeneity and dynamics in communication and computation capabilities. In this work, we propose Decentralized Sporadic Federated Learning ($\texttt{DSpodFL}$), a DFL methodology built on a generalized notion of *sporadicity* in both local gradient and aggregation processes. $\texttt{DSpodFL}$ subsumes many existing decentralized optimization methods under a unified algorithmic framework by modeling the per-iteration (i) occurrence of gradient descent at each client and (ii) exchange of models between client pairs as arbitrary indicator random variables, thus capturing *heterogeneous and time-varying* computation/communication scenarios. We analytically characterize the convergence behavior of $\texttt{DSpodFL}$ for both convex and non-convex models and for both constant and diminishing learning rates, under mild assumptions on the communication graph connectivity, data heterogeneity across clients, and gradient noises. We show how our bounds recover existing results from decentralized gradient descent as special cases. Experiments demonstrate that $\texttt{DSpodFL}$ consistently achieves improved training speeds compared with baselines under various system settings.

Constrained bilevel optimization tackles nested structures present in constrained learning tasks like constrained meta-learning, adversarial learning, and distributed bilevel optimization. However, existing bilevel optimization methods mostly are typically restricted to specific constraint settings, such as linear lower-level constraints. In this work, we overcome this limitation and develop a new single-loop, Hessian-free constrained bilevel algorithm capable of handling more general lower-level constraints. We achieve this by employing a doubly regularized gap function tailored to the constrained lower-level problem, transforming constrained bilevel optimization into an equivalent single-level optimization problem with a single smooth constraint. We rigorously establish the non-asymptotic convergence analysis of the proposed algorithm under the convexity of lower-level problem, avoiding the need for strong convexity assumptions on the lower-level objective or coupling convexity assumptions on lower-level constraints found in existing literature. Additionally, the generality of our method allows for its extension to bilevel optimization with minimax lower-level problem. We evaluate the effectiveness and efficiency of our algorithm on various synthetic problems, typical hyperparameter learning tasks, and generative adversarial network.

Large language models (LLMs) must often respond to highly ambiguous user requests. In such cases, the LLM's best response may be to ask a clarifying question to elicit more information. Existing LLMs often respond by presupposing a single interpretation of such ambiguous requests, frustrating users who intended a different interpretation. We speculate this is caused by current preference data labeling practice, where LLM responses are evaluated only on their prior contexts. To address this, we assign preference labels by simulating their expected outcomes in future turns. This allows LLMs to learn to ask clarifying questions when it can generate responses that are tailored to each user interpretation in future turns. On open-domain QA datasets with multiple annotations, we evaluate systems based on their ability to ask clarifying questions to recover each user's interpretation and expected answer. We compare systems trained using our proposed preference labeling methods against standard methods, which assign preferences based on only prior context. Our method achieves a 5% improvement in F1 measured against the answer set from different interpretations of each query, showing the value of modeling future conversation turns. We further demonstrate that our method can be used to train models to judiciously determine when to ask clarifying questions, directly answering the question when clarification is unnecessary. In our experiments, we find that our method achives a 3% improvement in accuracy of such judgments over existing methods.

This paper presents an innovative approach, called credal wrapper, to formulating a credal set representation of model averaging for Bayesian neural networks (BNNs) and deep ensembles (DEs), capable of improving uncertainty estimation in classification tasks. Given a finite collection of single predictive distributions derived from BNNs or DEs, the proposed credal wrapper approach extracts an upper and a lower probability bound per class, acknowledging the epistemic uncertainty due to the availability of a limited amount of distributions. Such probability intervals over classes can be mapped on a convex set of probabilities (a credal set) from which, in turn, a unique prediction can be obtained using a transformation called intersection probability transformation. In this article, we conduct extensive experiments on several out-of-distribution (OOD) detection benchmarks, encompassing various dataset pairs (CIFAR10/100 vs SVHN/Tiny-ImageNet, CIFAR10 vs CIFAR10-C, CIFAR100 vs CIFAR100-C and ImageNet vs ImageNet-O) and using different network architectures (such as VGG16, ResNet-18/50, EfficientNet B2, and ViT Base). Compared to the BNN and DE baselines, the proposed credal wrapper method exhibits superior performance in uncertainty estimation and achieves a lower expected calibration error on corrupted data.

We propose a novel autoregressive modeling approach for speech synthesis, combining a variational autoencoder (VAE) with a multi-modal latent space and an autoregressive model that uses Gaussian Mixture Models (GMM) as the conditional probability distribution. Unlike previous methods that rely on residual vector quantization, our model leverages continuous speech representations from the VAE's latent space, greatly simplifying the training and inference pipelines. We also introduce a stochastic monotonic alignment mechanism to enforce strict monotonic alignments. Our approach significantly outperforms the state-of-the-art autoregressive model VALL-E in both subjective and objective evaluations, achieving these results with only 10.3\% of VALL-E's parameters. This demonstrates the potential of continuous speech language models as a more efficient alternative to existing quantization-based speech language models. Sample audio can be found at \url{https://tinyurl.com/gmm-lm-tts}.

Large language models (LLMs) have achieved remarkable success across various NLP tasks with a focus on English due to English-centric pre-training and limited multilingual data. In this work, we focus on the problem of translation, and while some multilingual LLMs claim to support for hundreds of languages, models often fail to provide high-quality responses for mid- and low-resource languages, leading to imbalanced performance heavily skewed in favor of high-resource languages. We introduce **X-ALMA**, a model designed to ensure top-tier performance across 50 diverse languages, regardless of their resource levels. X-ALMA surpasses state-of-the-art open-source multilingual LLMs, such as Aya-101 and Aya-23, in every single translation direction on the FLORES-200 and WMT'23 test datasets according to COMET-22. This is achieved by plug-and-play language-specific module architecture to prevent language conflicts during training and a carefully designed training regimen with novel optimization methods to maximize the translation performance. After the final stage of training regimen, our proposed **A**daptive **R**ejection **P**reference **O**ptimization (**ARPO**) surpasses existing preference optimization methods in translation tasks.

Causal language models have demonstrated remarkable capabilities, but their size poses significant challenges for deployment in resource-constrained environments. Knowledge distillation, a widely-used technique for transferring knowledge from a large teacher model to a small student model, presents a promising approach for model compression. A significant remaining issue lies in the major differences between teacher and student models, namely the substantial capacity gap, mode averaging, and mode collapse, which pose barriers during distillation. To address these issues, we introduce $\textit{Temporally Adaptive Interpolated Distillation (TAID)}$, a novel knowledge distillation approach that dynamically interpolates student and teacher distributions through an adaptive intermediate distribution, gradually shifting from the student's initial distribution towards the teacher's distribution. We provide a theoretical analysis demonstrating TAID's ability to prevent mode collapse and empirically show its effectiveness in addressing the capacity gap while balancing mode averaging and mode collapse. Our comprehensive experiments demonstrate TAID's superior performance across various model sizes and architectures in both instruction tuning and pre-training scenarios. Furthermore, we showcase TAID's practical impact by developing two state-of-the-art compact foundation models: $\texttt{TAID-LLM-1.5B}$ for language tasks and $\texttt{TAID-VLM-2B}$ for vision-language tasks. These results demonstrate TAID's effectiveness in creating high-performing and efficient models, advancing the development of more accessible AI technologies.

Large language models (LLMs) famously exhibit emergent in-context learning (ICL) - the ability to rapidly adapt to new tasks using few-shot examples provided as a prompt, without updating the model's weights. Built on top of LLMs, vision large language models (VLLMs) have advanced significantly in areas such as recognition, reasoning, and grounding. However, investigations into multimodal ICL have predominantly focused on few-shot visual question answering (VQA), and image captioning, which we will show neither exploit the strengths of ICL, nor test its limitations. The broader capabilities and limitations of multimodal ICL remain under-explored. In this study, we introduce a comprehensive benchmark VL-ICL Bench for multimodal in-context learning, encompassing a broad spectrum of tasks that involve both images and text as inputs and outputs, and different types of challenges, from {perception to reasoning and long context length}. We evaluate the abilities of state-of-the-art VLLMs against this benchmark suite, revealing their diverse strengths and weaknesses, and showing that even the most advanced models, such as GPT-4, find the tasks challenging. By highlighting a range of new ICL tasks, and the associated strengths and limitations of existing models, we hope that our dataset will inspire future work on enhancing the in-context learning capabilities of VLLMs, as well as inspire new applications that leverage VLLM ICL. Project page is at https://ys-zong.github.io/VL-ICL/

Adversarially robust generalization of Graph Convolutional Networks (GCNs) has garnered significant attention in various security-sensitive application areas, driven by intrinsic adversarial vulnerability. Albeit remarkable empirical advancement, theoretical understanding of the generalization behavior of GCNs subjected to adversarial attacks remains elusive. To make progress on the mystery, we establish unified high-probability generalization bounds for GCNs in the context of node classification, by leveraging adversarial Transductive Rademacher Complexity (TRC) and developing a novel contraction technique on graph convolution. Our bounds capture the interaction between generalization error and adversarial perturbations, revealing the importance of key quantities in mitigating the negative effects of perturbations, such as low-dimensional feature projection, perturbation-dependent norm regularization, normalized graph matrix, proper number of network layers, etc. Furthermore, we provide TRC-based bounds of popular GCNs with $\ell_r$-norm-additive perturbations for arbitrary $r\geq 1$. A comparison of theoretical results demonstrates that specific network architectures (e.g., residual connection) can help alleviate the cumulative effect of perturbations during the forward propagation of deep GCNs. Experimental results on benchmark datasets validate our theoretical findings.

Disentangling polysemantic neurons is at the core of many current approaches to interpretability of large language models. Here we attempt to study how disentanglement can be used to understand performance, particularly under weight sparsity, a leading post-training optimization technique. We suggest a novel measure for estimating neuronal entanglement: the Wasserstein distance of a neuron's output distribution to a Gaussian. Moreover, we show the existence of a small number of highly entangled "Wasserstein Neurons" in each linear layer of an LLM, characterized by their highly non-Gaussian output distributions, their role in mapping similar inputs to dissimilar outputs, and their significant impact on model accuracy. To study these phenomena, we propose a new experimental framework for disentangling polysemantic neurons. Our framework separates each layer's inputs to create a mixture of experts where each neuron's output is computed by a mixture of neurons of lower Wasserstein distance, each better at maintaining accuracy when sparsified without retraining. We provide strong evidence that this is because the mixture of sparse experts is effectively disentangling the input-output relationship of individual neurons, in particular the difficult Wasserstein neurons.

The well-known generalization problem hinders the application of artificial neural networks in continuous-time prediction tasks with varying latent dynamics. In sharp contrast, biological systems can neatly adapt to evolving environments benefiting from real-time feedback mechanisms. Inspired by the feedback philosophy, we present feedback neural networks, showing that a feedback loop can flexibly correct the learned latent dynamics of neural ordinary differential equations (neural ODEs), leading to a prominent generalization improvement. The feedback neural network is a novel two-DOF neural network, which possesses robust performance in unseen scenarios with no loss of accuracy performance on previous tasks. A linear feedback form is presented to correct the learned latent dynamics firstly, with a convergence guarantee. Then, domain randomization is utilized to learn a nonlinear neural feedback form. Finally, extensive tests including trajectory prediction of a real irregular object and model predictive control of a quadrotor with various uncertainties, are implemented, indicating significant improvements over state-of-the-art model-based and learning-based methods.

Reward inference (learning a reward model from human preferences) is a critical intermediate step in the Reinforcement Learning from Human Feedback (RLHF) pipeline for fine-tuning Large Language Models (LLMs). In practice, RLHF faces fundamental challenges such as distribution shift, reward model overfitting, and problem misspecification. An alternative approach is direct policy optimization without reward inference, such as Direct Preference Optimization (DPO), which provides a much simpler pipeline and has shown empirical success in LLM applications. However, DPO utilizes the closed-form expression between the optimal policy and the reward function, which is only suitable under the bandit setting or deterministic MDPs. This paper develops two RLHF algorithms without reward inference for general RL problems beyond bandits and deterministic MDPs, and general preference models beyond the Bradley-Terry model. The key idea is to estimate the local value function difference from human preferences and then approximate the policy gradient with a zeroth-order gradient approximator. For both algorithms, we establish polynomial convergence rates in terms of the number of policy gradient iterations, the number of trajectory samples, and human preference queries per iteration. Numerical experiments in stochastic environments validate the performance of our proposed algorithms, outperforming popular RLHF baselines such as DPO and PPO. Our paper shows there exist provably efficient methods to solve general RLHF problems without reward inference.