ICLR 2025 论文列表

As deep generative models have progressed, recent work has shown them to be capable of memorizing and reproducing training datapoints when deployed. These findings call into question the usability of generative models, especially in light of the legal and privacy risks brought about by memorization. To better understand this phenomenon, we propose the *manifold memorization hypothesis* (MMH), a geometric framework which leverages the manifold hypothesis into a clear language in which to reason about memorization. We propose to analyze memorization in terms of the relationship between the dimensionalities of $(i)$ the ground truth data manifold and $(ii)$ the manifold learned by the model. This framework provides a formal standard for "how memorized" a datapoint is and systematically categorizes memorized data into two types: memorization driven by overfitting and memorization driven by the underlying data distribution. By analyzing prior work in the context of the MMH, we explain and unify assorted observations in the literature. We empirically validate the MMH using synthetic data and image datasets up to the scale of Stable Diffusion, developing new tools for detecting and preventing generation of memorized samples in the process.

We introduce ORC-ManL, a new algorithm to prune spurious edges from nearest neighbor graphs using a criterion based on Ollivier-Ricci curvature and estimated metric distortion. Our motivation comes from manifold learning: we show that when the data generating the nearest-neighbor graph consists of noisy samples from a low-dimensional manifold, edges that shortcut through the ambient space have more negative Ollivier-Ricci curvature than edges that lie along the data manifold. We demonstrate that our method outperforms alternative pruning methods and that it significantly improves performance on many downstream geometric data analysis tasks that use nearest neighbor graphs as input. Specifically, we evaluate on manifold learning, persistent homology, dimension estimation, and others. We also show that ORC-ManL can be used to improve clustering and manifold learning of single-cell RNA sequencing data. Finally, we provide empirical convergence experiments that support our theoretical findings.

Extremely low-resource (XLR) languages lack substantial corpora for training NLP models, motivating the use of all available resources such as dictionaries and grammar books. Machine Translation from One Book (Tanzer et al., 2024) suggests that prompting long-context LLMs with one grammar book enables English–Kalamang translation, an XLR language unseen by LLMs—a noteworthy case of linguistics helping an NLP task. We investigate the source of this translation ability, finding almost all improvements stem from the book’s parallel examples rather than its grammatical explanations. We find similar results for Nepali and Guarani, seen low-resource languages, and we achieve performance comparable to an LLM with a grammar book by simply fine-tuning an encoder-decoder translation model. We then investigate where grammar books help by testing two linguistic tasks, grammaticality judgment and gloss prediction, and we explore what kind of grammatical knowledge helps by introducing a typological feature prompt that achieves leading results on these more relevant tasks. We thus emphasise the importance of task-appropriate data for XLR languages: parallel examples for translation, and grammatical data for linguistic tasks. As we find no evidence that long-context LLMs can make effective use of grammatical explanations for XLR translation, we conclude data collection for multilingual XLR tasks such as translation is best focused on parallel data over linguistic description.

Sharpness-Aware Minimization (SAM) has substantially improved the generalization of neural networks under various settings. Despite the success, its effectiveness remains poorly understood. In this work, we discover an intriguing phenomenon in the training dynamics of SAM, shedding light on understanding its implicit bias towards flatter minima over Stochastic Gradient Descent (SGD). Specifically, we find that *SAM efficiently selects flatter minima late in training*. Remarkably, even a few epochs of SAM applied at the end of training yield nearly the same generalization and solution sharpness as full SAM training. Subsequently, we delve deeper into the underlying mechanism behind this phenomenon. Theoretically, we identify two phases in the learning dynamics after applying SAM late in training: i) SAM first escapes the minimum found by SGD exponentially fast; and ii) then rapidly converges to a flatter minimum within the same valley. Furthermore, we empirically investigate the role of SAM during the early training phase. We conjecture that the optimization method chosen in the late phase is more crucial in shaping the final solution's properties. Based on this viewpoint, we extend our findings from SAM to Adversarial Training.

Parameter-efficient fine-tuning (PEFT) has revolutionized supervised fine-tuning, where LoRA and its variants gain the most popularity due to their low training costs and zero inference latency. However, LoRA tuning not only injects knowledgeable features but also noisy hallucination during fine-tuning, which hinders the utilization of tunable parameters with the increasing LoRA rank. In this work, we first investigate in-depth the redundancies among LoRA parameters with substantial empirical studies. Aiming to resemble the learning capacity of high ranks from the findings, we set up a new fine-tuning framework, \textbf{P}arameter-\textbf{Re}dundant \textbf{F}ine-\textbf{T}uning (\preft), which follows the vanilla LoRA tuning process but is required to reduce redundancies before merging LoRA parameters back to pre-trained models. Based on this framework, we propose \textbf{No}ise reduction with \textbf{R}eserved \textbf{M}ajority~(\norm), which decomposes the LoRA parameters into majority parts and redundant parts with random singular value decomposition. The major components are determined by the proposed \search method, specifically employing subspace similarity to confirm the parameter groups that share the highest similarity with the base weight. By employing \norm, we enhance both the learning capacity and benefits from larger ranks, which consistently outperforms both LoRA and other \preft-based methods on various downstream tasks, such as general instruction tuning, math reasoning and code generation. Code is available at \url{https://github.com/pixas/NoRM}.

The problem of pre-training data detection for large language models (LLMs) has received growing attention due to its implications in critical issues like copyright violation and test data contamination. Despite improved performance, existing methods (including the state-of-the-art, Min-K%) are mostly developed upon simple heuristics and lack solid, reasonable foundations. In this work, we propose a novel and theoretically motivated methodology for pre-training data detection, named Min-K%++. Specifically, we present a key insight that training samples tend to be local maxima of the modeled distribution along each input dimension through maximum likelihood training, which in turn allow us to insightfully translate the problem into identification of local maxima. Then, we design our method accordingly that works under the discrete distribution modeled by LLMs, whose core idea is to determine whether the input forms a mode or has relatively high probability under the conditional categorical distribution. Empirically, the proposed method achieves new SOTA performance across multiple settings (evaluated with 5 families of 10 models and 2 benchmarks). On the WikiMIA benchmark, Min-K%++ outperforms the runner-up by 6.2% to 10.5% in detection AUROC averaged over five models. On the more challenging MIMIR benchmark, it consistently improves upon reference-free methods while performing on par with reference-based method that requires an extra reference model.

While momentum-based optimization algorithms are commonly used in the notoriously non-convex optimization problems of deep learning, their analysis has historically been restricted to the convex and strongly convex setting. In this article, we partially close this gap between theory and practice and demonstrate that virtually identical guarantees can be obtained in optimization problems with a 'benign' non-convexity. We show that these weaker geometric assumptions are well justified in overparametrized deep learning, at least locally. Variations of this result are obtained for a continuous time model of Nesterov's accelerated gradient descent algorithm (NAG), the classical discrete time version of NAG, and versions of NAG with stochastic gradient estimates with purely additive noise and with noise that exhibits both additive and multiplicative scaling.

Against the backdrop of enthusiasm for large language models (LLMs), there is a growing need to scientifically assess their capabilities and shortcomings. This is nontrivial in part because it is difficult to find tasks which the models have not encountered during training. Utilizing symbolic graphics programs, we propose a domain well-suited to test multiple spatial-semantic reasoning skills of LLMs. Popular in computer graphics, these programs procedurally generate visual data. While LLMs exhibit impressive skills in general program synthesis and analysis, symbolic graphics programs offer a new layer of evaluation: they allow us to test an LLM's ability to answer semantic questions about the images or 3D geometries without a vision encoder. To semantically understand the symbolic programs, LLMs would need to possess the ability to "imagine" and reason how the corresponding graphics content would look with only the symbolic description of the local curvatures and strokes. We use this task to evaluate LLMs by creating a large benchmark for the semantic visual understanding of symbolic graphics programs, built procedurally with minimal human effort. Particular emphasis is placed on transformations of images that leave the image level semantics invariant while introducing significant changes to the underlying program. We evaluate commercial and open-source LLMs on our benchmark to assess their ability to reason about visual output of programs, finding that LLMs considered stronger at reasoning generally perform better. Lastly, we introduce a novel method to improve this ability -- Symbolic Instruction Tuning (SIT), in which the LLM is finetuned with pre-collected instruction data on symbolic graphics programs. Interestingly, we find that SIT not only improves LLM's understanding on symbolic programs, but it also improves general reasoning ability on various other benchmarks.

Preferential Bayesian Optimization (PBO) is a sample-efficient method to learn latent user utilities from preferential feedback over a pair of designs. It relies on a statistical surrogate model for the latent function, usually a Gaussian process, and an acquisition strategy to select the next candidate pair to get user feedback on. Due to the non-conjugacy of the associated likelihood, every PBO step requires a significant amount of computations with various approximate inference techniques. This computational overhead is incompatible with the way humans interact with computers, hindering the use of PBO in real-world cases. Building on the recent advances of amortized BO, we propose to circumvent this issue by fully amortizing PBO, meta-learning both the surrogate and the acquisition function. Our method comprises a novel transformer neural process architecture, trained using reinforcement learning and tailored auxiliary losses. On a benchmark composed of synthetic and real-world datasets, our method is several orders of magnitude faster than the usual Gaussian process-based strategies and often outperforms them in accuracy.

The DreamerV3 algorithm recently obtained remarkable performance across diverse environment domains by learning an accurate world model based on Recurrent Neural Networks (RNNs). Following the success of model-based reinforcement learning algorithms and the rapid adoption of the Transformer architecture for its superior training efficiency and favorable scaling properties, recent works such as STORM have proposed replacing RNN-based world models with Transformer-based world models using masked self-attention. However, despite the improved training efficiency of these methods, their impact on performance remains limited compared to the Dreamer algorithm, struggling to learn competitive Transformer-based world models. In this work, we show that the next state prediction objective adopted in previous approaches is insufficient to fully exploit the representation capabilities of Transformers. We propose to extend world model predictions to longer time horizons by introducing TWISTER (Transformer-based World model wIth contraSTivE Representations), a world model using action-conditioned Contrastive Predictive Coding to learn high-level temporal feature representations and improve the agent performance. TWISTER achieves a human-normalized mean score of 162% on the Atari 100k benchmark, setting a new record among state-of-the-art methods that do not employ look-ahead search. We release our code at https://github.com/burchim/TWISTER.

The ability to accurately interpret complex visual information is a crucial topic of multimodal large language models (MLLMs). Recent work indicates that enhanced visual perception significantly reduces hallucinations and improves performance on resolution-sensitive tasks, such as optical character recognition and document analysis. A number of recent MLLMs achieve this goal using a mixture of vision encoders. Despite their success, there is a lack of systematic comparisons and detailed ablation studies addressing critical aspects, such as expert selection and the integration of multiple vision experts. This study provides an extensive exploration of the design space for MLLMs using a mixture of vision encoders and resolutions. Our findings reveal several underlying principles common to various existing strategies, leading to a streamlined yet effective design approach. We discover that simply concatenating visual tokens from a set of complementary vision encoders is as effective as more complex mixing architectures or strategies. We additionally introduce Pre-Alignment to bridge the gap between vision-focused encoders and language tokens, enhancing model coherence. The resulting family of MLLMs, Eagle, surpasses other leading open-source models on major MLLM benchmarks.

In-Context Learning (ICL) has significantly expanded the general-purpose nature of large language models, allowing them to adapt to novel tasks using merely the inputted context. This has motivated a series of papers that analyze tractable synthetic domains and postulate precise mechanisms that may underlie ICL. However, the use of relatively distinct setups that often lack a sequence modeling nature to them makes it unclear how general the reported insights from such studies are. Motivated by this, we propose a synthetic sequence modeling task that involves learning to simulate a finite mixture of Markov chains. As we show, models trained on this task reproduce most well-known results on ICL, hence offering a unified setting for studying the concept. Building on this setup, we demonstrate we can explain a model’s behavior by decomposing it into four broad algorithms that combine a fuzzy retrieval vs. inference approach with either unigram or bigram statistics of the context. These algorithms engage in a competitive dynamics to dominate model behavior, with the precise experimental conditions dictating which algorithm ends up superseding others: e.g., we find merely varying context size or amount of training yields (at times sharp) transitions between which algorithm dictates the model behavior, revealing a mechanism that explains the transient nature of ICL. In this sense, we argue ICL is best thought of as a mixture of different algorithms, each with its own peculiarities, instead of a monolithic capability. This also implies that making general claims about ICL that hold universally across all settings may be infeasible.

Text-conditioned human motion generation, which allows for user interaction through natural language, has become increasingly popular. Existing methods typically generate short, isolated motions based on a single input sentence. However, human motions are continuous and can extend over long periods, carrying rich semantics. Creating long, complex motions that precisely respond to streams of text descriptions, particularly in an online and real-time setting, remains a significant challenge. Furthermore, incorporating spatial constraints into text-conditioned motion generation presents additional challenges, as it requires aligning the motion semantics specified by text descriptions with geometric information, such as goal locations and 3D scene geometry. To address these limitations, we propose **DartC**ontrol, in short **DART**, a **D**iffusion-based **A**utoregressive motion primitive model for **R**eal-time **T**ext-driven motion **C**ontrol. Our model, DART, effectively learns a compact motion primitive space jointly conditioned on motion history and text inputs using latent diffusion models. By autoregressively generating motion primitives based on the preceding history and current text input, DART enables real-time, sequential motion generation driven by natural language descriptions. Additionally, the learned motion primitive space allows for precise spatial motion control, which we formulate either as a latent noise optimization problem or as a Markov decision process addressed through reinforcement learning. We present effective algorithms for both approaches, demonstrating our model’s versatility and superior performance in various motion synthesis tasks. Experiments show our method outperforms existing baselines in motion realism, efficiency, and controllability. Video results and code are available at https://zkf1997.github.io/DART/.

Given two boundary distributions, the \emph{Schrödinger Bridge} (SB) problem seeks the “most likely” random evolution between them with respect to a reference process. It has revealed rich connections to recent machine learning methods for generative modeling and distribution matching. While these methods perform well in Euclidean domains, they are not directly applicable to topological domains such as graphs and simplicial complexes, which are crucial for data defined over network entities, such as node signals and edge flows. In this work, we propose the \emph{Topological Schrödinger Bridge problem} ($\mathcal{T}$SBP) for matching signal distributions on a topological domain. We set the reference process to follow some linear tractable \emph{topology-aware} stochastic dynamics such as topological heat diffusion. For the case of Gaussian boundary distributions, we derive a \emph{closed-form} topological SB ($\mathcal{T}$SB) in terms of its time-marginal and stochastic differential. In the general case, leveraging the well-known result, we show that the optimal process follows the forward-backward topological dynamics governed by some unknowns. Building on these results, we develop $\mathcal{T}$SB-based models for matching topological signals by parameterizing the unknowns in the optimal process as \emph{(topological) neural networks} and learning them through \emph{likelihood training}. We validate the theoretical results and demonstrate the practical applications of $\mathcal{T}$SB-based models on both synthetic and real-world networks, emphasizing the role of topology. Additionally, we discuss the connections of $\mathcal{T}$SB-based models to other emerging models, and outline future directions for topological signal matching.

An influential paper of Hsu et al. (ICLR'19) introduced the study of learning-augmented streaming algorithms in the context of frequency estimation. A fundamental problem in the streaming literature, the goal of frequency estimation is to approximate the number of occurrences of items appearing in a long stream of data using only a small amount of memory. Hsu et al. develop a natural framework to combine the worst-case guarantees of popular solutions such as CountMin and CountSketch with learned predictions of high frequency elements. They demonstrate that learning the underlying structure of data can be used to yield better streaming algorithms, both in theory and practice. We simplify and generalize past work on learning-augmented frequency estimation. Our first contribution is a learning-augmented variant of the Misra-Gries algorithm which improves upon the error of learned CountMin and learned CountSketch and achieves the state-of-the-art performance of randomized algorithms (Aamand et al., NeurIPS'23) with a simpler, deterministic algorithm. Our second contribution is to adapt learning-augmentation to a high-dimensional generalization of frequency estimation corresponding to finding important directions (top singular vectors) of a matrix given its rows one-by-one in a stream. We analyze a learning-augmented variant of the Frequent Directions algorithm, extending the theoretical and empirical understanding of learned predictions to matrix streaming.

We present Perm, a learned parametric representation of human 3D hair designed to facilitate various hair-related applications. Unlike previous work that jointly models the global hair structure and local curl patterns, we propose to disentangle them using a PCA-based strand representation in the frequency domain, thereby allowing more precise editing and output control. Specifically, we leverage our strand representation to fit and decompose hair geometry textures into low- to high-frequency hair structures, termed guide textures and residual textures, respectively. These decomposed textures are later parameterized with different generative models, emulating common stages in the hair grooming process. We conduct extensive experiments to validate the architecture design of Perm, and finally deploy the trained model as a generic prior to solve task-agnostic problems, further showcasing its flexibility and superiority in tasks such as single-view hair reconstruction, hairstyle editing, and hair-conditioned image generation. More details can be found on our project page: https://cs.yale.edu/homes/che/projects/perm/.

Differential equations (DE) constrained optimization plays a critical role in numerous scientific and engineering fields, including energy systems, aerospace engineering, ecology, and finance, where optimal configurations or control strategies must be determined for systems governed by ordinary or stochastic differential equations. Despite its significance, the computational challenges associated with these problems have limited their practical use. To address these limitations, this paper introduces a learning-based approach to DE-constrained optimization that combines techniques from proxy optimization \citep{kotary2021end} and neural differential equations \citep{chen2019neural}. The proposed approach uses a dual-network architecture, with one approximating the control strategies, focusing on steady-state constraints, and another solving the associated DEs. This combination enables the approximation of optimal strategies while accounting for dynamic constraints in near real-time. Experiments across problems in energy optimization and finance modeling show that this method provides full compliance with dynamic constraints and it produces results up to 25 times more precise than other methods which do not explicitly model the system's dynamic equations.

Generating gestures from human speech has gained tremendous progress in animating virtual avatars. While the existing methods enable synthesizing gestures cooperated by people self-talking, they overlook the practicality of concurrent gesture modeling with two-person interactive conversations. Moreover, the lack of high-quality datasets with concurrent co-speech gestures also limits handling this issue. To fulfill this goal, we first construct a large-scale concurrent co-speech gesture dataset that contains more than 7M frames for diverse two-person interactive posture sequences, dubbed $\textbf{GES-Inter}$. Moreover, we propose Co$^{\mathbf{3}}$Gesture, a novel framework that enables concurrent coherent co-speech gesture synthesis including two-person interactive movements. Our framework is built upon two cooperative generation branches conditioned on decomposed speaker audio. Specifically, to enhance the coordination of human postures w.r.t corresponding speaker audios while interacting with the conversational partner, we present a Temporal-Interaction Module ($\textbf{TIM}$). TIM can effectively model the temporal association representation between two speakers' gesture sequences as interaction guidance and fuse it into the concurrent gesture generation. Then, we devise a mutual attention mechanism to further boost learning dependencies of interacted concurrent motions, thereby enabling us to generate vivid and coherent gestures. Extensive experiments demonstrate that our method outperforms the state-of-the-art models on our newly collected GES-Inter dataset.

We study streaming algorithms for proportionally fair clustering, a notion originally suggested by Chierichetti et al. (2017), in the sliding window model. We show that although there exist efficient streaming algorithms in the insertion-only model, surprisingly no algorithm can achieve finite ratio without violating the fairness constraint in sliding window. Hence, the problem of fair clustering is a rare separation between the insertion-only streaming model and the sliding window model. On the other hand, we show that if the fairness constraint is relaxed by a multiplicative $(1+\varepsilon)$ factor, there exists a $(1 + \varepsilon)$-approximate sliding window algorithm that uses $\text{poly}(k\varepsilon^{-1}\log n)$ space. This achieves essentially the best parameters (up to degree in the polynomial) provided the aforementioned lower bound. We also implement a number of empirical evaluations on real datasets to complement our theoretical results.