ICLR 2025 Papers

In order for AI systems to communicate effectively with people, they must understand how we make decisions. However, people's decisions are not always rational, so the implicit internal models of human decision-making in Large Language Models (LLMs) must account for this. Previous empirical evidence seems to suggest that these implicit models are accurate --- LLMs offer believable proxies of human behavior, acting how we expect humans would in everyday interactions. However, by comparing LLM behavior and predictions to a large dataset of human decisions, we find that this is actually not the case: when both simulating and predicting people's choices, a suite of cutting-edge LLMs (GPT-4o \& 4-Turbo, Llama-3-8B \& 70B, Claude 3 Opus) assume that people are more rational than we really are. Specifically, these models deviate from human behavior and align more closely with a classic model of rational choice --- expected value theory. Interestingly, people also tend to assume that other people are rational when interpreting their behavior. As a consequence, when we compare the inferences that LLMs and people draw from the decisions of others using another psychological dataset, we find that these inferences are highly correlated. Thus, the implicit decision-making models of LLMs appear to be aligned with the human expectation that other people will act rationally, rather than with how people actually act.

Tracking dense 3D motion from monocular videos remains challenging, particularly when aiming for pixel-level precision over long sequences. We introduce DELTA, a novel method that efficiently tracks every pixel in 3D space, enabling accurate motion estimation across entire videos. Our approach leverages a joint global-local attention mechanism for reduced-resolution tracking, followed by a transformer-based upsampler to achieve high-resolution predictions. Unlike existing methods, which are limited by computational inefficiency or sparse tracking, DELTA delivers dense 3D tracking at scale, running over 8x faster than previous methods while achieving state-of-the-art accuracy. Furthermore, we explore the impact of depth representation on tracking performance and identify log-depth as the optimal choice. Extensive experiments demonstrate the superiority of DELTA on multiple benchmarks, achieving new state-of-the-art results in both 2D and 3D dense tracking tasks. Our method provides a robust solution for applications requiring fine-grained, long-term motion tracking in 3D space.

Improving social welfare is a complex challenge requiring policymakers to optimize objectives across multiple time horizons. Evaluating the impact of such policies presents a fundamental challenge, as those that appear suboptimal in the short run may yield significant long-term benefits. We tackle this challenge by analyzing the long-term dynamics of two prominent policy frameworks: Rawlsian policies, which prioritize those with the greatest need, and utilitarian policies, which maximize immediate welfare gains. Conventional wisdom suggests these policies are at odds, as Rawlsian policies are assumed to come at the cost of reducing the average social welfare, which their utilitarian counterparts directly optimize. We challenge this assumption by analyzing these policies in a sequential decision-making framework where individuals' welfare levels stochastically decay over time, and policymakers can intervene to prevent this decay. Under reasonable assumptions, we prove that interventions following Rawlsian policies can outperform utilitarian policies in the long run, even when the latter dominate in the short run. We characterize the exact conditions under which Rawlsian policies can outperform utilitarian policies. We further illustrate our theoretical findings using simulations, which highlight the risks of evaluating policies based solely on their short-term effects. Our results underscore the necessity of considering long-term horizons in designing and evaluating welfare policies; the true efficacy of even well-established policies may only emerge over time.

Direct Preference Optimization (DPO) has recently emerged as a popular approach to improve reinforcement learning from human feedback (RLHF), leading to better techniques to fine-tune large language models (LLM). A weakness of DPO, however, lies in its lack of capability to characterize the diversity of human preferences. Inspired by Mallows' theory of preference ranking, we develop in this paper a new approach, the *MallowsPO*. A distinct feature of this approach is a *dispersion index*, which reflects the dispersion of human preference to prompts. We show that existing DPO models can be reduced to special cases of this dispersion index, thus unified with MallowsPO. More importantly, we demonstrate empirically how to use this dispersion index to enhance the performance of DPO in a broad array of benchmark tasks, from synthetic bandit selection to controllable generation and dialogues, while maintaining great generalization capabilities. MallowsPO is also compatible with other SOTA offline preference optimization methods, boosting nearly 2\% extra LC win rate when used as a plugin for fine-tuning Llama3-Instruct.

Masked image modeling (MIM) has emerged as a promising approach for pre-training Vision Transformers (ViTs). MIMs predict masked tokens token-wise to recover target signals that are tokenized from images or generated by pre-trained models like vision-language models. While using tokenizers or pre-trained models is viable, they often offer spatially inconsistent supervision even for neighboring tokens, hindering models from learning discriminative representations. Our pilot study identifies spatial inconsistency in supervisory signals and suggests that addressing it can improve representation learning. Building upon this insight, we introduce Dynamic Token Morphing (DTM), a novel method that dynamically aggregates tokens while preserving context to generate contextualized targets, thereby likely reducing spatial inconsistency. DTM is compatible with various SSL frameworks; we showcase significantly improved MIM results, barely introducing extra training costs. Our method facilitates MIM training by using more spatially consistent targets, resulting in improved training trends as evidenced by lower losses. Experiments on ImageNet-1K and ADE20K demonstrate DTM's superiority, which surpasses complex state-of-the-art MIM methods. Furthermore, the evaluation of transfer learning on downstream tasks like iNaturalist, along with extensive empirical studies, supports DTM's effectiveness.

Diffusion models, recognized for their effectiveness as generative priors, have become essential tools for addressing a wide range of visual challenges. Recently, there has been a surge of interest in leveraging Denoising processes for Regularization (DR) to solve inverse problems. However, existing methods often face issues such as mode collapse, which results in excessive smoothing and diminished diversity. In this study, we perform a comprehensive analysis to pinpoint the root causes of gradient inaccuracies inherent in DR. Drawing on insights from diffusion model distillation, we propose a novel approach called Consistency Regularization (CR), which provides stabilized gradients without the need for ODE simulations. Building on this, we introduce Hybrid Regularization (HR), a unified framework that combines the strengths of both DR and CR, harnessing their synergistic potential. Our approach proves to be effective across a broad spectrum of inverse problems, encompassing both linear and nonlinear scenarios, as well as various measurement noise statistics. Experimental evaluations on benchmark datasets, including FFHQ and ImageNet, demonstrate that our proposed framework not only achieves highly competitive results compared to state-of-the-art methods but also offers significant reductions in wall-clock time and memory consumption.

Recent work has proposed that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. $\textit{circular}$ features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Next, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we examine the continuity of the days of the week feature in Mistral 7B. Overall, our work argues that understanding multi-dimensional features is necessary to mechanistically decompose some model behaviors.

Measuring biodiversity is crucial for understanding ecosystem health. While prior works have developed machine learning models for taxonomic classification of photographic images and DNA separately, in this work, we introduce a multi-modal approach combining both, using CLIP-style contrastive learning to align images, barcode DNA, and text-based representations of taxonomic labels in a unified embedding space. This allows for accurate classification of both known and unknown insect species without task-specific fine-tuning, leveraging contrastive learning for the first time to fuse DNA and image data. Our method surpasses previous single-modality approaches in accuracy by over 8% on zero-shot learning tasks, showcasing its effectiveness in biodiversity studies.

Sparse adversarial attacks fool deep neural networks (DNNs) through minimal pixel perturbations, often regularized by the $\ell_0$ norm. Recent efforts have replaced this norm with a structural sparsity regularizer, such as the nuclear group norm, to craft group-wise sparse adversarial attacks. The resulting perturbations are thus explainable and hold significant practical relevance, shedding light on an even greater vulnerability of DNNs. However, crafting such attacks poses an optimization challenge, as it involves computing norms for groups of pixels within a non-convex objective. We address this by presenting a two-phase algorithm that generates group-wise sparse attacks within semantically meaningful areas of an image. Initially, we optimize a quasinorm adversarial loss using the $1/2$-quasinorm proximal operator tailored for non-convex programming. Subsequently, the algorithm transitions to a projected Nesterov's accelerated gradient descent with $2$-norm regularization applied to perturbation magnitudes. Rigorous evaluations on CIFAR-10 and ImageNet datasets demonstrate a remarkable increase in group-wise sparsity, e.g., $50.9\%$ on CIFAR-10 and $38.4\%$ on ImageNet (average case, targeted attack). This performance improvement is accompanied by significantly faster computation times, improved interpretability, and a $100\%$ attack success rate.

Neural Stochastic Differential Equations (Neural SDEs) have emerged as powerful mesh-free generative models for continuous stochastic processes, with critical applications in fields such as finance, physics, and biology. Previous state-of-the-art methods have relied on adversarial training, such as GANs, or on minimizing distance measures between processes using signature kernels. However, GANs suffer from issues like instability, mode collapse, and the need for specialized training techniques, while signature kernel-based methods require solving linear PDEs and backpropagating gradients through the solver, whose computational complexity scales quadratically with the discretization steps. In this paper, we identify a novel class of strictly proper scoring rules for comparing continuous Markov processes. This theoretical finding naturally leads to a novel approach called Finite Dimensional Matching (FDM) for training Neural SDEs. Our method leverages the Markov property of SDEs to provide a computationally efficient training objective. This scoring rule allows us to bypass the computational overhead associated with signature kernels and reduces the training complexity from $O(D^2)$ to $O(D)$ per epoch, where $D$ represents the number of discretization steps of the process. We demonstrate that FDM achieves superior performance, consistently outperforming existing methods in terms of both computational efficiency and generative quality.

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.

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.