ICLR 2025 Papers

Humans can naturally learn new and varying tasks in a sequential manner. Continual learning is a class of learning algorithms that updates its learned model as it sees new data (on potentially new tasks) in a sequence. A key challenge in continual learning is that as the model is updated to learn new tasks, it becomes susceptible to \textit{catastrophic forgetting}, where knowledge of previously learned tasks is lost. A popular approach to mitigate forgetting during continual learning is to maintain a small buffer of previously-seen samples, and to replay them during training. However, this approach is limited by the small buffer size and, while forgetting is reduced, it is still present. In this paper, we propose a novel loss function STAR that exploits the worst-case parameter perturbation that reduces the KL-divergence of model predictions with that of its local parameter neighborhood to promote stability and alleviate forgetting. STAR can be combined with almost any existing rehearsal-based methods as a plug-and-play component. We empirically show that STAR consistently improves performance of existing methods by up to $\sim15\\%$ across varying baselines, and achieves superior or competitive accuracy to that of state-of-the-art methods aimed at improving rehearsal-based continual learning. Our implementation is available at https://github.com/Gnomy17/STAR_CL.

The Segment Anything Model (SAM), with its remarkable zero-shot capability, has the potential to be a foundation model for multi-task learning. However, adopting SAM to multi-task learning faces two challenges: (a) SAM has difficulty generating task-specific outputs with different channel numbers, and (b) how to fine-tune SAM to adapt multiple downstream tasks simultaneously remains unexplored. To address these two challenges, in this paper, we propose the Multi-Task SAM (MTSAM) framework, which enables SAM to work as a foundation model for multi-task learning. MTSAM modifies SAM's architecture by removing the prompt encoder and implementing task-specific no-mask embeddings and mask decoders, enabling the generation of task-specific outputs. Furthermore, we introduce Tensorized low-Rank Adaptation (ToRA) to perform multi-task fine-tuning on SAM. Specifically, ToRA injects an update parameter tensor into each layer of the encoder in SAM and leverages a low-rank tensor decomposition method to incorporate both task-shared and task-specific information. Extensive experiments conducted on benchmark datasets substantiate the efficacy of MTSAM in enhancing the performance of multi-task learning. Our code is available at https://github.com/XuehaoWangFi/MTSAM.

Multimodal encoders like CLIP excel in tasks such as zero-shot image classification and cross-modal retrieval. However, they require excessive training data. We propose canonical similarity analysis (CSA), which uses two unimodal encoders to replicate multimodal encoders using limited data. CSA maps unimodal features into a multimodal space, using a new similarity score to retain only the multimodal information. CSA only involves the inference of unimodal encoders and a cubic-complexity matrix decomposition, eliminating the need for extensive GPU-based model training. Experiments show that CSA outperforms CLIP while requiring $50$,$000\times$ fewer multimodal data pairs to bridge the modalities given pre-trained unimodal encoders on ImageNet classification and misinformative news caption detection. CSA surpasses the state-of-the-art method to map unimodal features to multimodal features. We also demonstrate the ability of CSA with modalities beyond image and text, paving the way for future modality pairs with limited paired multimodal data but abundant unpaired unimodal data, such as LiDAR and text.

When training transformers on graph-structured data, incorporating information about the underlying topology is crucial for good performance. Topological masking, a type of relative position encoding, achieves this by upweighting or downweighting attention depending on the relationship between the query and keys in the graph. In this paper, we propose to parameterise topological masks as a learnable function of a weighted adjacency matrix -- a novel, flexible approach which incorporates a strong structural inductive bias. By approximating this mask with graph random features (for which we prove the first known concentration bounds), we show how this can be made fully compatible with linear attention, preserving $\mathcal{O}(N)$ time and space complexity with respect to the number of input tokens. The fastest previous alternative was $\mathcal{O}(N \log N)$ and only suitable for specific graphs. Our efficient masking algorithms provide strong performance gains for image and point cloud data, including with $>30$k nodes.

Accurate nutrition estimation helps people make informed dietary choices and is essential in the prevention of serious health complications. We present NutriBench, the first publicly available natural language meal description nutrition benchmark. NutriBench consists of 11,857 meal descriptions generated from real-world global dietary intake data. The data is human-verified and annotated with macro-nutrient labels, including carbohydrates, proteins, fats, and calories. We conduct an extensive evaluation of Nutribench on the task of carbohydrate estimation, testing twelve leading Large Language Models (LLMs), including GPT-4o, Llama3.1, Qwen2, Gemma2, and OpenBioLLM models, using standard, Chain-of-Thought and Retrieval-Augmented Generation strategies. Additionally, we present a study involving professional nutritionists, finding that LLMs can provide comparable but significantly faster estimates. Finally, we perform a real-world risk assessment by simulating the effect of carbohydrate predictions on the blood glucose levels of individuals with type 1 diabetes. Our work highlights the opportunities and challenges of using LLMs for nutrition estimation, demonstrating their potential to aid professionals and laypersons and improve health outcomes. Our benchmark is publicly available at: https://mehak126.github.io/nutribench.html

Electrocardiogram (ECG) is essential for the clinical diagnosis of arrhythmias and other heart diseases, but deep learning methods based on ECG often face limitations due to the need for high-quality annotations. Although previous ECG self-supervised learning (eSSL) methods have made significant progress in representation learning from unannotated ECG data, they typically treat ECG signals as ordinary time-series data, segmenting the signals using fixed-size and fixed-step time windows, which often ignore the form and rhythm characteristics and latent semantic relationships in ECG signals. In this work, we introduce a novel perspective on ECG signals, treating heartbeats as words and rhythms as sentences. Based on this perspective, we first designed the QRS-Tokenizer, which generates semantically meaningful ECG sentences from the raw ECG signals. Building on these, we then propose HeartLang, a novel self-supervised learning framework for ECG language processing, learning general representations at form and rhythm levels. Additionally, we construct the largest heartbeat-based ECG vocabulary to date, which will further advance the development of ECG language processing. We evaluated HeartLang across six public ECG datasets, where it demonstrated robust competitiveness against other eSSL methods. Our data and code are publicly available at https://github.com/PKUDigitalHealth/HeartLang.

With the rapid advancement of test-time compute search strategies to improve the mathematical problem-solving capabilities of large language models (LLMs), the need for building robust verifiers has become increasingly important. However, all these inference strategies rely on existing verifiers originally designed for Best-of-N search, which makes them sub-optimal for tree search techniques at test time. During tree search, existing verifiers can only offer indirect and implicit assessments of partial solutions or under-value prospective intermediate steps, thus resulting in the premature pruning of promising intermediate steps. To overcome these limitations, we propose token-supervised value models (TVMs) -- a new class of verifiers that assign each token a probability that reflects the likelihood of reaching the correct final answer. This new token-level supervision enables TVMs to directly and explicitly evaluate partial solutions, effectively distinguishing between promising and incorrect intermediate steps during tree search at test time. Experimental results demonstrate that combining tree-search-based inference strategies with TVMs significantly improves the accuracy of LLMs in mathematical problem-solving tasks, surpassing the performance of existing verifiers.

Foundation models are transforming machine learning across many modalities, with in-context learning replacing classical model training. Recent work on tabular data hints at a similar opportunity to build foundation models for classification for numerical data. However, existing meta-learning approaches can not compete with tree-based methods in terms of inference time. In this paper, we propose MotherNet, a hypernetwork architecture trained on synthetic classification tasks that, once prompted with a never-seen-before training set generates the weights of a trained ``child'' neural-network by in-context learning using a single forward pass. In contrast to most existing hypernetworks that are usually trained for relatively constrained multi-task settings, MotherNet can create models for multiclass classification on arbitrary tabular datasets without any dataset specific gradient descent. The child network generated by MotherNet outperforms neural networks trained using gradient descent on small datasets, and is competitive with predictions by TabPFN and standard ML methods like Gradient Boosting. Unlike a direct application of TabPFN, MotherNet generated networks are highly efficient at inference time.

Recommender systems aim to predict personalized item rankings by modeling user preference distributions derived from historical behavior data. While diffusion models (DMs) have recently gained attention for their ability to model complex distributions, current DM-based recommenders typically rely on traditional objectives such as mean squared error (MSE) or standard recommendation objectives. These approaches are either suboptimal for personalized ranking tasks or fail to exploit the full generative potential of DMs. To address these limitations, we propose \textbf{PreferDiff}, an optimization objective tailored for DM-based recommenders. PreferDiff reformulates the traditional Bayesian Personalized Ranking (BPR) objective into a log-likelihood generative framework, enabling it to effectively capture user preferences by integrating multiple negative samples. To handle the intractability, we employ variational inference, minimizing the variational upper bound. Furthermore, we replace MSE with cosine error to improve alignment with recommendation tasks, and we balance generative learning and preference modeling to enhance the training stability of DMs. PreferDiff devises three appealing properties. First, it is the first personalized ranking loss designed specifically for DM-based recommenders. Second, it improves ranking performance and accelerates convergence by effectively addressing hard negatives. Third, we establish its theoretical connection to Direct Preference Optimization (DPO), demonstrating its potential to align user preferences within a generative modeling framework. Extensive experiments across six benchmarks validate PreferDiff's superior recommendation performance. Our codes are available at \url{https://github.com/lswhim/PreferDiff}.

We formulate a hierarchical rectified flow to model data distributions. It hierarchically couples multiple ordinary differential equations (ODEs) and defines a time-differentiable stochastic process that generates a data distribution from a known source distribution. Each ODE resembles the ODE that is solved in a classic rectified flow, but differs in its domain, i.e., location, velocity, acceleration, etc. Unlike the classic rectified flow formulation, which formulates a single ODE in the location domain and only captures the expected velocity field (sufficient to capture a multi-modal data distribution), the hierarchical rectified flow formulation models the multi-modal random velocity field, acceleration field, etc., in their entirety. This more faithful modeling of the random velocity field enables integration paths to intersect when the underlying ODE is solved during data generation. Intersecting paths in turn lead to integration trajectories that are more straight than those obtained in the classic rectified flow formulation, where integration paths cannot intersect. This leads to modeling of data distributions with fewer neural function evaluations. We empirically verify this on synthetic 1D and 2D data as well as MNIST, CIFAR-10, and ImageNet-32 data. Our code is available at: https://riccizz.github.io/HRF/.

Unlearning in Large Language Models (LLMs) is essential for ensuring ethical and responsible AI use, especially in addressing privacy leak, bias, safety, and evolving regulations. Existing approaches to LLM unlearning often rely on retain data or a reference LLM, yet they struggle to adequately balance unlearning performance with overall model utility. This challenge arises because leveraging explicit retain data or implicit knowledge of retain data from a reference LLM to fine-tune the model tends to blur the boundaries between the forgotten and retain data, as different queries often elicit similar responses. In this work, we propose eliminating the need to retain data or the reference LLM for response calibration in LLM unlearning. Recognizing that directly applying gradient ascent on the forget data often leads to optimization instability and poor performance, our method guides the LLM on what not to respond to, and importantly, how to respond, based on the forget data. Hence, we introduce Forget data only Loss AjustmenT (FLAT), a "flat" loss adjustment approach which addresses these issues by maximizing $f$-divergence between the available template answer and the forget answer only w.r.t. the forget data. The variational form of the defined $f$-divergence theoretically provides a way of loss adjustment by assigning different importance weights for the learning w.r.t. template responses and the forgetting of responses subject to unlearning. Empirical results demonstrate that our approach not only achieves superior unlearning performance compared to existing methods but also minimizes the impact on the model’s retained capabilities, ensuring high utility across diverse tasks, including copyrighted content unlearning on Harry Potter dataset and MUSE Benchmark, and entity unlearning on the TOFU dataset.

Despite their wide application across various fields, current molecular property prediction models struggle with the challenge of activity cliff, which refers to the situation where molecules with similar chemical structures display remarkable different properties. This phenomenon hinders existing models' ability to learn distinctive representations for molecules with similar chemical structures, and results in inaccurate predictions on molecules with activity cliff. To address this limitation, we first present empirical evidence demonstrating the ineffectiveness of standard training pipelines on molecules with activity cliff. We propose a novel approach that reformulates molecular property prediction as a node classification problem, introducing two innovative tasks at both the node and edge levels to improve learning outcomes for these challenging molecules with activity cliff. Our method is versatile, allowing seamless integration with a variety of base models, whether pre-trained or randomly initialized. Extensive evaluation across different molecular property prediction datasets validate the effectiveness of our approach.

Recovering a spectrum of diverse policies from a set of expert trajectories is an important research topic in imitation learning. After determining a latent style for a trajectory, previous diverse polices recovering methods usually employ a vanilla behavioral cloning learning objective conditioned on the latent style, treating each state-action pair in the trajectory with equal importance. Based on an observation that in many scenarios, behavioral styles are often highly relevant with only a subset of state-action pairs, this paper presents a new principled method in diverse polices recovering. In particular, after inferring or assigning a latent style for a trajectory, we enhance the vanilla behavioral cloning by incorporating a weighting mechanism based on pointwise mutual information. This additional weighting reflects the significance of each state-action pair's contribution to learning the style, thus allowing our method to focus on state-action pairs most representative of that style. We provide theoretical justifications for our new objective, and extensive empirical evaluations confirm the effectiveness of our method in recovering diverse polices from expert data.

This research aims to comprehensively explore building a multimodal foundation model for egocentric video understanding. To achieve this goal, we work on three fronts. First, as there is a lack of QA data for egocentric video understanding, we automatically generate 7M high-quality QA samples for egocentric videos ranging from 30 seconds to one hour long in Ego4D based on human-annotated data. This is one of the largest egocentric QA datasets. Second, we contribute a challenging egocentric QA benchmark with 629 videos and 7,026 questions to evaluate the models' ability in recognizing and memorizing visual details across videos of varying lengths. We introduce a new de-biasing evaluation method to help mitigate the unavoidable language bias present in the models being evaluated. Third, we propose a specialized multimodal architecture featuring a novel ``Memory Pointer Prompting" mechanism. This design includes a global glimpse step to gain an overarching understanding of the entire video and identify key visual information, followed by a fallback step that utilizes the key visual information to generate responses. This enables the model to more effectively comprehend extended video content. With the data, benchmark, and model, we build MM-Ego, an egocentric multimodal LLM that shows powerful performance on egocentric video understanding.

Recent model merging methods demonstrate that the parameters of fully-finetuned models specializing in distinct tasks can be combined into one model capable of solving all tasks without retraining. Yet, this success does not transfer well when merging LoRA finetuned models. We study this phenomenon and observe that the weights of LoRA finetuned models showcase a lower degree of alignment compared to their fully-finetuned counterparts. We hypothesize that improving this alignment is key to obtaining better LoRA model merges, and propose KnOTS to address this problem. KnOTS uses the SVD to jointly transform the weights of different LoRA models into an aligned space, where existing merging methods can be applied. In addition, we introduce a new benchmark that explicitly evaluates whether merged models are general models. Notably, KnOTS consistently improves LoRA merging by up to 4.3% across several vision and language benchmarks, including our new setting. We release our code at: https://github.com/gstoica27/KnOTS.

Video generation requires modeling a vast spatiotemporal space, which demands significant computational resources and data usage. To reduce the complexity, the prevailing approaches employ a cascaded architecture to avoid direct training with full resolution latent. Despite reducing computational demands, the separate optimization of each sub-stage hinders knowledge sharing and sacrifices flexibility. This work introduces a unified pyramidal flow matching algorithm. It reinterprets the original denoising trajectory as a series of pyramid stages, where only the final stage operates at the full resolution, thereby enabling more efficient video generative modeling. Through our sophisticated design, the flows of different pyramid stages can be interlinked to maintain continuity. Moreover, we craft autoregressive video generation with a temporal pyramid to compress the full-resolution history. The entire framework can be optimized in an end-to-end manner and with a single unified Diffusion Transformer (DiT). Extensive experiments demonstrate that our method supports generating high-quality 5-second (up to 10-second) videos at 768p resolution and 24 FPS within 20.7k A100 GPU training hours. All code and models are open-sourced at https://pyramid-flow.github.io.

Image captioning has long been a pivotal task in visual understanding, with recent advancements in vision-language models (VLMs) significantly enhancing the ability to generate detailed image captions. However, the evaluation of detailed image captioning remains underexplored due to outdated evaluation metrics and coarse annotations. In this paper, we introduce DeCapBench along with a novel metric, DCScore, specifically designed for detailed captioning tasks. DCScore evaluates hallucinations and fine-grained comprehensiveness by deconstructing responses into the smallest self-sufficient units, termed primitive information units, and assessing them individually. Our evaluation shows that DCScore aligns more closely with human judgment than other rule-based or model-based metrics. Concurrently, DeCapBench exhibits a high correlation with VLM arena results on descriptive tasks, surpassing existing benchmarks for vision-language models. Additionally, we present an automatic fine-grained feedback collection method, FeedQuill, for preference optimization based on our advanced metric, demonstrating robust generalization capabilities across auto-generated preference data. Extensive experiments on multiple VLMs demonstrate that our method not only significantly reduces hallucinations but also enhances performance across various benchmarks, achieving superior detail captioning performance while surpassing GPT-4o.

Learning generative models of 3D point clouds is one of the fundamental problems in 3D generative learning. One of the key properties of point clouds is their permutation invariance, i.e., changing the order of points in a point cloud does not change the shape they represent. In this paper, we analyze the recently proposed equivariant OT flows that learn permutation invariant generative models for point-based molecular data and we show that these models scale poorly on large point clouds. Also, we observe learning (equivariant) OT flows is generally challenging since straightening flow trajectories makes the learned flow model complex at the beginning of the trajectory. To remedy these, we propose not-so-optimal transport flow models that obtain an approximate OT by an offline OT precomputation, enabling an efficient construction of OT pairs for training. During training, we can additionally construct a hybrid coupling by combining our approximate OT and independent coupling to make the target flow models easier to learn. In an extensive empirical study, we show that our proposed model outperforms prior diffusion- and flow -based approaches on a wide range of unconditional generation and shape completion on the ShapeNet benchmark.

Controlled generation with pre-trained Diffusion and Flow Matching models has vast applications. One strategy for guiding ODE-based generative models is through optimizing a target loss $R(x_1)$ while staying close to the prior distribution. Along this line, some recent work showed the effectiveness of guiding flow model by differentiating through its ODE sampling process. Despite the superior performance, the theoretical understanding of this line of methods is still preliminary, leaving space for algorithm improvement. Moreover, existing methods predominately focus on Euclidean data manifold, and there is a compelling need for guided flow methods on complex geometries such as SO(3), which prevails in high-stake scientific applications like protein design. We present OC-Flow, a general and theoretically grounded training-free framework for guided flow matching using optimal control. Building upon advances in optimal control theory, we develop effective and practical algorithms for solving optimal control in guided ODE-based generation and provide a systematic theoretical analysis of the convergence guarantee in both Euclidean and SO(3). We show that existing backprop-through-ODE methods can be interpreted as special cases of Euclidean OC-Flow. OC-Flow achieved superior performance in extensive experiments on text-guided image manipulation, conditional molecule generation, and all-atom peptide design.