ICLR 2025 论文列表

Understanding the training dynamics of deep neural networks is challenging due to their high-dimensional nature and intricate loss landscapes. Recent studies have revealed that, along the training trajectory, the gradient approximately aligns with a low-rank top eigenspace of the training loss Hessian, referred to as the dominant subspace. Given this alignment, this paper explores whether neural networks can be trained within the dominant subspace, which, if feasible, could lead to more efficient training methods. Our primary observation is that when the SGD update is projected onto the dominant subspace, the training loss does not decrease further. This suggests that the observed alignment between the gradient and the dominant subspace is spurious. Surprisingly, projecting out the dominant subspace proves to be just as effective as the original update, despite removing the majority of the original update component. We observe similar behavior across practical setups, including the large learning rate regime (also known as Edge of Stability), Sharpness-Aware Minimization, momentum, and adaptive optimizers. We discuss the main causes and implications of this spurious alignment, shedding light on the dynamics of neural network training.

Search and planning are essential for solving many real-world problems. However, in numerous learning scenarios, only action-observation sequences, such as demonstrations or instruction sequences, are available for learning. Relying solely on supervised learning with these sequences can lead to sub-optimal performance due to the vast, unseen search space encountered during training. In this paper, we introduce Differentiable Tree Search Network (D-TSN), a novel neural network architecture that learns to construct search trees from just sequences of demonstrations by performing gradient descent on a best-first search tree construction algorithm. D-TSN enables the joint learning of submodules, including an encoder, value function, and world model, which are essential for planning. To construct the search tree, we employ a stochastic tree expansion policy and formulate it as another decision-making task. Then, we optimize the tree expansion policy via REINFORCE with an effective variance reduction technique for the gradient computation. D-TSN can be applied to problems with a known world model or to scenarios where it needs to jointly learn a world model with a latent state space. We study problems from these two scenarios, including Game of 24, 2D grid navigation, and Procgen games, to understand when D-TSN is more helpful. Through our experiments, we show that D-TSN is effective, especially when the world model with a latent state space is jointly learned. The code is available at https://github.com/dixantmittal/differentiable-tree-search-network.

Value-based reinforcement learning (RL) can in principle learn effective policies for a wide range of multi-turn problems, from games to dialogue to robotic control, including via offline RL from static previously collected datasets. However, despite the widespread use of policy gradient methods to train large language models for single turn tasks (e.g., question answering), value-based methods for multi-turn RL in an off-policy or offline setting have proven particularly challenging to scale to the setting of large language models. This setting requires effectively leveraging pretraining, scaling to large architectures with billions of parameters, and training on large datasets, all of which represent major challenges for current value-based RL methods. In this work, we propose a novel offline RL algorithm that addresses these drawbacks, casting Q-learning as a modified supervised fine-tuning (SFT) problem where the probabilities of tokens directly translate to Q-values. In this way we obtain an algorithm that smoothly transitions from maximizing the likelihood of the data during pretraining to learning a near-optimal Q-function during finetuning. Our algorithm has strong theoretical foundations, enjoying performance bounds similar to state-of-the-art Q-learning methods, while in practice utilizing an objective that closely resembles SFT. Because of this, our approach can enjoy the full benefits of the pretraining of language models, without the need to reinitialize any weights before RL finetuning, and without the need to initialize new heads for predicting values or advantages. Empirically, we evaluate our method on both pretrained LLMs and VLMs, on a variety of tasks including both natural language dialogue and robotic manipulation and navigation from images.

Precipitation nowcasting plays a pivotal role in socioeconomic sectors, especially in severe convective weather warnings. Although notable progress has been achieved by approaches mining the spatiotemporal correlations with deep learning, these methods still suffer severe blurriness as the lead time increases, which hampers accurate predictions for extreme precipitation. To alleviate blurriness, researchers explore generative methods conditioned on blurry predictions. However, the pairs of blurry predictions and corresponding ground truth need to be given in advance, making the training pipeline cumbersome and limiting the generality of generative models within blurry modes that appear in training data. By rethinking the blurriness in precipitation nowcasting as a blur kernel acting on predictions, we propose an unsupervised postprocessing method to eliminate the blurriness without the requirement of training with the pairs of blurry predictions and corresponding ground truth. Specifically, we utilize blurry predictions to guide the generation process of a pre-trained unconditional denoising diffusion probabilistic model (DDPM) to obtain high-fidelity predictions with eliminated blurriness. A zero-shot blur kernel estimation mechanism and an auto-scale denoise guidance strategy are introduced to adapt the unconditional DDPM to any blurriness modes varying from datasets and lead times in precipitation nowcasting. Extensive experiments are conducted on 7 precipitation radar datasets, demonstrating the generality and superiority of our method.

We address the challenge of federated learning on graph-structured data distributed across multiple clients. Specifically, we focus on the prevalent scenario of interconnected subgraphs, where inter-connections between different clients play a critical role. We present a novel framework for this scenario, named FedStruct, that harnesses deep structural dependencies. To uphold privacy, unlike existing methods, FedStruct eliminates the necessity of sharing or generating sensitive node features or embeddings among clients. Instead, it leverages explicit global graph structure information to capture inter-node dependencies. We validate the effectiveness of FedStruct through experimental results conducted on six datasets for semi-supervised node classification, showcasing performance close to the centralized approach across various scenarios, including different data partitioning methods, varying levels of label availability, and number of clients.

Neural radiance fields have recently revolutionized novel-view synthesis and achieved high-fidelity renderings. However, these methods sacrifice the geometry for the rendering quality, limiting their further applications including relighting and deformation. How to synthesize photo-realistic rendering while reconstructing accurate geometry remains an unsolved problem. In this work, we present AniSDF, a novel approach that learns fused-granularity neural surfaces with physics-based encoding for high-fidelity 3D reconstruction. Different from previous neural surfaces, our fused-granularity geometry structure balances the overall structures and fine geometric details, producing accurate geometry reconstruction. To disambiguate geometry from reflective appearance, we introduce blended radiance fields to model diffuse and specularity following the anisotropic spherical Gaussian encoding, a physics-based rendering pipeline. With these designs, AniSDF can reconstruct objects with complex structures and produce high-quality renderings. Furthermore, our method is a unified model that does not require complex hyperparameter tuning for specific objects. Extensive experiments demonstrate that our method boosts the quality of SDF-based methods by a great scale in both geometry reconstruction and novel-view synthesis.

Estimating matrices in the symmetric positive-definite (SPD) cone is of interest for many applications ranging from computer vision to graph learning. While there exist various convex optimization-based estimators, they remain limited in expressivity due to their model-based approach. The success of deep learning motivates the use of learning-based approaches to estimate SPD matrices with neural networks in a data-driven fashion. However, designing effective neural architectures for SPD learning is challenging, particularly when the task requires additional structural constraints, such as element-wise sparsity. Current approaches either do not ensure that the output meets all desired properties or lack expressivity. In this paper, we introduce SpodNet, a novel and generic learning module that guarantees SPD outputs and supports additional structural constraints. Notably, it solves the challenging task of learning jointly SPD and sparse matrices. Our experiments illustrate the versatility and relevance of SpodNet layers for such applications.

Unneeded elements in the attention’s context degrade performance. We introduce Selective Attention, a simple parameter-free change to the standard attention mechanism which reduces attention to unneeded elements. Selective attention consistently improves language modeling and downstream task performance in a variety of model sizes and context lengths. For example, transformers trained with the language modeling objective on C4 with selective attention perform language modeling equivalently to standard transformers with ~2X more heads and parameters in their attention modules. Selective attention also allows decreasing the size of the attention’s context buffer, leading to meaningful reductions in the memory and compute requirements during inference. For example, transformers trained on C4 with context sizes of 512, 1,024, and 2,048 need 16X, 25X, and 47X less memory for their attention module, respectively, when equipped with selective attention, as those without selective attention, with the same validation perplexity.

Artificial Intelligence Generated Content (AIGC) has advanced significantly, particularly with the development of video generation models such as text-to-video (T2V) models and image-to-video (I2V) models. However, like other AIGC types, video generation requires robust content control. A common approach is to embed watermarks, but most research has focused on images, with limited attention given to videos. Traditional methods, which embed watermarks frame-by-frame in a post-processing manner, often degrade video quality. In this paper, we propose VideoShield, a novel watermarking framework specifically designed for popular diffusion-based video generation models. Unlike post-processing methods, VideoShield embeds watermarks directly during video generation, eliminating the need for additional training. To ensure video integrity, we introduce a tamper localization feature that can detect changes both temporally (across frames) and spatially (within individual frames). Our method maps watermark bits to template bits, which are then used to generate watermarked noise during the denoising process. Using DDIM Inversion, we can reverse the video to its original watermarked noise, enabling straightforward watermark extraction. Additionally, template bits allow precise detection for potential spatial and temporal modification. Extensive experiments across various video models (both T2V and I2V models) demonstrate that our method effectively extracts watermarks and detects tamper without compromising video quality. Furthermore, we show that this approach is applicable to image generation models, enabling tamper detection in generated images as well. Codes and models are available at https://github.com/hurunyi/VideoShield.

We consider the problem of model multiplicity in downstream decision-making, a setting where two predictive models of equivalent accuracy cannot agree on what action to take for a downstream decision-making problem. Prior work attempts to address model multiplicity by resolving prediction disagreement between models. However, we show that even when the two predictive models approximately agree on their individual predictions almost everywhere, these models can lead the downstream decision-maker to take actions with substantially higher losses. We address this issue by proposing a framework that calibrates the predictive models with respect to both a finite set of downstream decision-making problems and the individual probability prediction. Specifically, leveraging tools from multi-calibration, we provide an algorithm that, at each time-step, first reconciles the differences in individual probability prediction, then calibrates the updated models such that they are indistinguishable from the true probability distribution to the decision-makers. We extend our results to the setting where one does not have direct access to the true probability distribution and instead relies on a set of i.i.d data to be the empirical distribution. Furthermore, we generalize our results to the settings where one has more than two predictive models and an infinitely large downstream action set. Finally, we provide a set of experiments to evaluate our methods empirically. Compared to existing work, our proposed algorithm creates a pair of predictive models with improved downstream decision-making losses and agrees on their best-response actions almost everywhere.

We introduce the concept of a generative infinite game, a video game that transcends the traditional boundaries of finite, hard-coded systems by using generative models. Inspired by James P. Carse's distinction between finite and infinite games, we leverage recent advances in generative AI to create Unbounded: a game of character life simulation that is fully encapsulated in generative models. Specifically, Unbounded draws inspiration from sandbox life simulations and allows you to interact with your autonomous virtual character in a virtual world by feeding, playing with and guiding it - with open-ended mechanics generated by an LLM, some of which can be emergent. In order to develop Unbounded, we propose technical innovations in both the LLM and visual generation domains. Specifically, we present: (1) a specialized, distilled large language model (LLM) that dynamically generates game mechanics, narratives, and character interactions in real-time, and (2) a new dynamic regional image prompt Adapter (IP-Adapter) for vision models that ensures consistent yet flexible visual generation of a character across multiple environments. We evaluate our system through both qualitative and quantitative analysis, showing significant improvements in character life simulation, user instruction following, narrative coherence, and visual consistency for both characters and the environments compared to traditional related approaches.

Recent advancements in generative modeling, particularly diffusion models, have opened new directions for time series modeling, achieving state-of-the-art performance in forecasting and synthesis. However, the reliance of diffusion-based models on a simple, fixed prior complicates the generative process since the data and prior distributions differ significantly. We introduce TSFlow, a conditional flow matching (CFM) model for time series combining Gaussian processes, optimal transport paths, and data-dependent prior distributions. By incorporating (conditional) Gaussian processes, TSFlow aligns the prior distribution more closely with the temporal structure of the data, enhancing both unconditional and conditional generation. Furthermore, we propose conditional prior sampling to enable probabilistic forecasting with an unconditionally trained model. In our experimental evaluation on eight real-world datasets, we demonstrate the generative capabilities of TSFlow, producing high-quality unconditional samples. Finally, we show that both conditionally and unconditionally trained models achieve competitive results across multiple forecasting benchmarks.

We propose FlowDec, a neural full-band audio codec for general audio sampled at 48 kHz that combines non-adversarial codec training with a stochastic postfilter based on a novel conditional flow matching method. Compared to the prior work ScoreDec which is based on score matching, we generalize from speech to general audio and move from 24 kbit/s to as low as 4 kbit/s, while improving output quality and reducing the required postfilter DNN evaluations from 60 to 6 without any fine-tuning or distillation techniques. We provide theoretical insights and geometric intuitions for our approach in comparison to ScoreDec as well as another recent work that uses flow matching, and conduct ablation studies on our proposed components. We show that FlowDec is a competitive alternative to the recent GAN-dominated stream of neural codecs, achieving FAD scores better than those of the established GAN-based codec DAC and listening test scores that are on par, and producing qualitatively more natural reconstructions for speech and harmonic structures in music.

Generative models see increasing use in computer-aided drug design. However, while performing well at capturing distributions of molecular motifs, they often produce synthetically inaccessible molecules. To address this, we introduce SynFlowNet, a GFlowNet model whose action space uses chemical reactions and buyable reactants to sequentially build new molecules. By incorporating forward synthesis as an explicit constraint of the generative mechanism, we aim at bridging the gap between in silico molecular generation and real world synthesis capabilities. We evaluate our approach using synthetic accessibility scores and an independent retrosynthesis tool to assess the synthesizability of our compounds, and motivate the choice of GFlowNets through considerable improvement in sample diversity compared to baselines. Additionally, we identify challenges with reaction encodings that can complicate traversal of the MDP in the backward direction. To address this, we introduce various strategies for learning the GFlowNet backward policy and thus demonstrate how additional constraints can be integrated into the GFlowNet MDP framework. This approach enables our model to successfully identify synthesis pathways for previously unseen molecules.

It is commonly believed that, in a real-world environment, samples can only be drawn from observational and interventional distributions, corresponding to Layers 1 and 2 of the *Pearl Causal Hierarchy*. Layer 3, representing counterfactual distributions, is believed to be inaccessible by definition. However, Bareinboim, Forney, and Pearl (2015) introduced a procedure that allows an agent to sample directly from a counterfactual distribution, leaving open the question of what other counterfactual quantities can be estimated directly via physical experimentation. We resolve this by introducing a formal definition of realizability, the ability to draw samples from a distribution, and then developing a complete algorithm to determine whether an arbitrary counterfactual distribution is realizable given fundamental physical constraints, such as the inability to go back in time and subject the same unit to a different experimental condition. We illustrate the implications of this new framework for counterfactual data collection using motivating examples from causal fairness and causal reinforcement learning. While the baseline approach in these motivating settings typically follows an interventional or observational strategy, we show that a counterfactual strategy provably dominates both.

Capturing geometric and material information from images remains a fundamental challenge in computer vision and graphics. Traditional optimization-based methods often require hours of computational time to reconstruct geometry, material properties, and environmental lighting from dense multi-view inputs, while still struggling with inherent ambiguities between lighting and material. On the other hand, learning-based approaches leverage rich material priors from existing 3D object datasets but face challenges with maintaining multi-view consistency. In this paper, we introduce IDArb, a diffusion-based model designed to perform intrinsic decomposition on an arbitrary number of images under varying illuminations. Our method achieves highly accurate and multi-view consistent estimation on surface normals and material properties. This is made possible through a novel cross-view, cross-domain attention module and an illumination-augmented, view-adaptive training strategy. Additionally, we introduce ARB-Objaverse, a new dataset that provides large-scale multi-view intrinsic data and renderings under diverse lighting conditions, supporting robust training. Extensive experiments demonstrate that IDArb outperforms state-of-the-art methods both qualitatively and quantitatively. Moreover, our approach facilitates a range of downstream tasks, including single-image relighting, photometric stereo, and 3D reconstruction, highlighting its broad applicability in realistic 3D content creation. Project website: https://lizb6626.github.io/IDArb/.

Since neural classifiers are known to be sensitive to adversarial perturbations that alter their accuracy, certification methods have been developed to provide provable guarantees on the insensitivity of their predictions to such perturbations. On the other hand, in safety-critical applications, the frequentist interpretation of the confidence of a classifier (also known as model calibration) can be of utmost importance. This property can be measured via the Brier score or the expected calibration error. We show that attacks can significantly harm calibration, and thus propose certified calibration providing worst-case bounds on calibration under adversarial perturbations. Specifically, we produce analytic bounds for the Brier score and approximate bounds via the solution of a mixed-integer program on the expected calibration error. Finally, we propose novel calibration attacks and demonstrate how they can improve model calibration through adversarial calibration training. The code will be publicly released upon acceptance.

Data assimilation (DA) is an essential statistical technique for generating accurate estimates of a physical system's states by combining prior model predictions with observational data, especially in the realm of weather forecasting. Effectively modeling the prior distribution while adapting to diverse observational sources presents significant challenges for both traditional and neural network-based DA algorithms. This paper introduces VAE-Var, a novel neural network-based data assimilation algorithm aimed at 1) enhancing accuracy by capturing the non-Gaussian characteristics of the conditional background distribution $p(\mathbf{x}|\mathbf{x}_b)$, and 2) efficiently assimilating real-world observational data. VAE-Var utilizes a variational autoencoder to learn the background error distribution, with its decoder creating a variational cost function to optimize the analysis states. The advantages of VAE-Var include: 1) it maintains the framework of traditional variational assimilation, enabling it to accommodate various observation operators, particularly irregular observations; 2) it lessens the dependence on expert knowledge for constructing the background distribution, allowing for improved modeling of non-Gaussian structures; and 3) experimental results indicate that, when applied to the FengWu weather forecasting model, VAE-Var outperforms DiffDA and two traditional algorithms (interpolation and 3DVar) in terms of assimilation accuracy in sparse observational contexts, and is capable of assimilating real-world GDAS prepbufr observations over a year.

Aligning large language models (LLMs) with human intent is critical for enhancing their performance across a variety of tasks. Standard alignment techniques, such as Direct Preference Optimization (DPO), often rely on the binary Bradley-Terry (BT) model, which can struggle to capture the complexities of human preferences—particularly in the presence of noisy or inconsistent labels and frequent ties. To address these limitations, we introduce the Tie-rank Oriented Bradley-Terry model (TOBT), an extension of the BT model that explicitly incorporates ties, enabling more nuanced preference representation. Building on this, we propose Tie-rank Oriented Direct Preference Optimization (TODO), a novel alignment algorithm that leverages TOBT's ternary ranking system to improve preference alignment. In evaluations on Mistral-7B and Llama 3-8B models, TODO consistently outperforms DPO in modeling preferences across both in-distribution and out-of-distribution datasets. Additional assessments using MT Bench and benchmarks such as Piqa, ARC-c, and MMLU further demonstrate TODO's superior alignment performance. Notably, TODO also shows strong results in binary preference alignment, highlighting its versatility and potential for broader integration into LLM alignment. The code for TODO is made publicly available.