ICLR 2024 论文列表

The Canonical Correlation Analysis (CCA) family of methods is foundational in multiview learning. Regularised linear CCA methods can be seen to generalise Partial Least Squares (PLS) and be unified with a Generalized Eigenvalue Problem (GEP) framework. However, classical algorithms for these linear methods are computationally infeasible for large-scale data. Extensions to Deep CCA show great promise, but current training procedures are slow and complicated. First we propose a novel unconstrained objective that characterizes the top subspace of GEPs. Our core contribution is a family of fast algorithms for stochastic PLS, stochastic CCA, and Deep CCA, simply obtained by applying stochastic gradient descent (SGD) to the corresponding CCA objectives. Our algorithms show far faster convergence and recover higher correlations than the previous state-of-the-art on all standard CCA and Deep CCA benchmarks. These improvements allow us to perform a first-of-its-kind PLS analysis of an extremely large biomedical dataset from the UK Biobank, with over 33,000 individuals and 500,000 features. Finally, we apply our algorithms to match the performance of `CCA-family' Self-Supervised Learning (SSL) methods on CIFAR-10 and CIFAR-100 with minimal hyper-parameter tuning, and also present theory to clarify the links between these methods and classical CCA, laying the groundwork for future insights.

Recently, a myriad of conditional image generation and editing models have been developed to serve different downstream tasks, including text-to-image generation, text-guided image editing, subject-driven image generation, control-guided image generation, etc. However, we observe huge inconsistencies in experimental conditions: datasets, inference, and evaluation metrics -- render fair comparisons difficult. This paper proposes ImagenHub, which is a one-stop library to standardize the inference and evaluation of all the conditional image generation models. Firstly, we define seven prominent tasks and curate high-quality evaluation datasets for them. Secondly, we built a unified inference pipeline to ensure fair comparison. Thirdly, we design two human evaluation scores, i.e. Semantic Consistency and Perceptual Quality, along with comprehensive guidelines to evaluate generated images. We train expert raters to evaluate the model outputs based on the proposed metrics. Our human evaluation achieves a high inter-worker agreement of Krippendorff’s alpha on 76\% models with a value higher than 0.4. We comprehensively evaluated a total of around 30 models and observed three key takeaways: (1) the existing models’ performance is generally unsatisfying except for Text-guided Image Generation and Subject-driven Image Generation, with 74\% models achieving an overall score lower than 0.5. (2) we examined the claims from published papers and found 83\% of them hold with a few exceptions. (3) None of the existing automatic metrics has a Spearman's correlation higher than 0.2 except subject-driven image generation. Moving forward, we will continue our efforts to evaluate newly published models and update our leaderboard to keep track of the progress in conditional image generation.

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

Recent works have shown that neural networks optimized by gradient-based methods can adapt to sparse or low-dimensional target functions through feature learning; an often studied target is the sparse parity function on the unit hypercube. However, such isotropic data setting does not capture the anisotropy and low intrinsic dimensionality exhibited in realistic datasets. In this work, we address this shortcoming by studying how gradient-based feature learning interacts with structured (anisotropic) input data: we consider the classification of $k$-sparse parity on high-dimensional orthotope where the feature coordinates have varying magnitudes, and analyze the learning complexity of the mean-field Langevin dynamics (MFLD), which describes the noisy gradient descent update on two-layer neural network. We show that the statistical complexity (i.e. sample size) and computational complexity (i.e. network width) of MFLD can both be improved when prominent directions of the anisotropic input data align with the support of the target function. Moreover, by employing a coordinate transform determined by the gradient covariance, the width can be made independent of the target degree $k$. Lastly, we demonstrate the benefit of feature learning by establishing a kernel lower bound on the classification error, which applies to neural networks in the lazy regime.

Faithfully summarizing the knowledge encoded by a deep neural network (DNN) into a few symbolic primitive patterns without losing much information represents a core challenge in explainable AI. To this end, Ren et al. (2024) have derived a series of theorems to prove that the inference score of a DNN can be explained as a small set of interactions between input variables. However, the lack of generalization power makes it still hard to consider such interactions as faithful primitive patterns encoded by the DNN. Therefore, given different DNNs trained for the same task, we develop a new method to extract interactions that are shared by these DNNs. Experiments show that the extracted interactions can better reflect common knowledge shared by different DNNs.

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

Modeling and analyzing object and shape has been well studied in the past. However, manipulation of these complex tools and articulated objects remains difficult for autonomous agents. Our human hands, however, are dexterous and adaptive. We can easily adapt a manipulation skill on one object to all objects in the class and to other similar classes. Our intuition comes from that there is a close connection between manipulations and topology and articulation of objects. The possible articulation of objects indicates the types of manipulation necessary to operate the object. In this work, we aim to take a manipulation perspective to understand everyday objects and tools. We collect a multi-modal visual-tactile dataset that contains paired full-hand force pressure maps and manipulation videos. We also propose a novel method to learn a cross-modal latent manifold that allow for cross-modal prediction and discovery of latent structure in different data modalities. We conduct extensive experiments to demonstrate the effectiveness of our method.

Molecular Representation Learning (MRL) has proven impactful in numerous biochemical applications such as drug discovery and enzyme design. While Graph Neural Networks (GNNs) are effective at learning molecular representations from a 2D molecular graph or a single 3D structure, existing works often overlook the flexible nature of molecules, which continuously interconvert across conformations via chemical bond rotations and minor vibrational perturbations. To better account for molecular flexibility, some recent works formulate MRL as an ensemble learning problem, focusing on explicitly learning from a set of conformer structures. However, most of these studies have limited datasets, tasks, and models. In this work, we introduce the first MoleculAR Conformer Ensemble Learning (MARCEL) benchmark to thoroughly evaluate the potential of learning on con- former ensembles and suggest promising research directions. MARCEL includes four datasets covering diverse molecule- and reaction-level properties of chemically diverse molecules including organocatalysts and transition-metal catalysts, extending beyond the scope of common GNN benchmarks that are confined to drug-like molecules. In addition, we conduct a comprehensive empirical study, which benchmarks representative 1D, 2D, and 3D MRL models, along with two strategies that explicitly incorporate conformer ensembles into 3D models. Our findings reveal that direct learning from an accessible conformer space can improve performance on a variety of tasks and models.

Recently, hypergraph neural networks (HGNNs) exhibit the potential to tackle tasks with high-order correlations and have achieved success in many tasks. However, existing evolution on the hypergraph has poor controllability and lacks sufficient theoretical support (like dynamic systems), thus yielding sub-optimal performance. One typical scenario is that only one or two layers of HGNNs can achieve good results and more layers lead to degeneration of performance. Under such circumstances, it is important to increase the controllability of HGNNs. In this paper, we first introduce hypergraph dynamic systems (HDS), which bridge hypergraphs and dynamic systems and characterize the continuous dynamics of representations. We then propose a control-diffusion hypergraph dynamic system by an ordinary differential equation (ODE). We design a multi-layer HDS$^{ode}$ as a neural implementation, which contains control steps and diffusion steps. HDS$^{ode}$ has the properties of controllability and stabilization and is allowed to capture long-range correlations among vertices. Experiments on $9$ datasets demonstrate HDS$^{ode}$ beat all compared methods. HDS$^{ode}$ achieves stable performance with increased layers and solves the poor controllability of HGNNs. We also provide the feature visualization of the evolutionary process to demonstrate the controllability and stabilization of HDS$^{ode}$.

In this study, we aim to enhance the arithmetic reasoning ability of Large Language Models (LLMs) through zero-shot prompt optimization. We identify a previously overlooked objective of query dependency in such optimization and elucidate two ensuing challenges that impede the successful and economical design of prompt optimization techniques. One primary issue is the absence of an effective method to evaluate prompts during inference when the golden answer is unavailable. Concurrently, learning via interactions with the LLMs to navigate the expansive natural language prompting space proves to be resource-intensive. To address this, we introduce Prompt-OIRL, which harnesses offline inverse reinforcement learning to draw insights from offline prompting demonstration data. Such data exists as by-products when diverse prompts are benchmarked on open-accessible datasets. With Prompt-OIRL, the query-dependent prompt optimization objective is achieved by first learning an offline reward model. This model can evaluate any query-prompt pairs without accessing LLMs. Subsequently, a best-of-N strategy is deployed to recommend the optimal prompt. Our experimental evaluations across various LLM scales and arithmetic reasoning datasets underscore both the efficacy and economic viability of the proposed approach.

We present PeFLL, a new personalized federated learning algorithm that improves over the state-of-the-art in three aspects: 1) it produces more accurate models, especially in the low-data regime, and not only for clients present during its training phase, but also for any that may emerge in the future; 2) it reduces the amount of on-client computation and client-server communication by providing future clients with ready-to-use personalized models that require no additional finetuning or optimization; 3) it comes with theoretical guarantees that establish generalization from the observed clients to future ones. At the core of PeFLL lies a learning-to-learn approach that jointly trains an embedding network and a hypernetwork. The embedding network is used to represent clients in a latent descriptor space in a way that reflects their similarity to each other. The hypernetwork takes as input such descriptors and outputs the parameters of fully personalized client models. In combination, both networks constitute a learning algorithm that achieves state-of-the-art performance in several personalized federated learning benchmarks.

Evaluating deep neural networks (DNNs) as models of human perception has given rich insights into both human visual processing and representational properties of DNNs. We extend this work by analyzing how well DNNs perform compared to humans when constrained by peripheral vision -- which limits human performance on a variety of tasks, but also benefits the visual system significantly. We evaluate this by (1) modifying the Texture Tiling Model (TTM), a well tested model of peripheral vision to be more flexibly used with DNNs, (2) generating a large dataset which we call COCO-Periph that contains images transformed to capture the information available in human peripheral vision, and (3) comparing DNNs to humans at peripheral object detection using a psychophysics experiment. Our results show that common DNNs underperform at object detection compared to humans when simulating peripheral vision with TTM. Training on COCO-Periph begins to reduce the gap between human and DNN performance and leads to small increases in corruption robustness, but DNNs still struggle to capture human-like sensitivity to peripheral clutter. Our work brings us closer to accurately modeling human vision, and paves the way for DNNs to mimic and sometimes benefit from properties of human visual processing.

This paper introduces InternVid, a large-scale video-centric multimodal dataset that enables learning powerful and transferable video-text representations for multimodal understanding and generation. InternVid contains over 7 million videos lasting nearly 760K hours, yielding 234M video clips accompanied by detailed descriptions of total 4.1B words. Our core contribution is to develop a scalable approach to autonomously build a high-quality video-text dataset with large language models (LLM), thereby showcasing its efficacy in learning video-language representation at scale. Specifically, we utilize a multi-scale approach to generate video-related descriptions. Furthermore, we introduce ViCLIP, a video-text representation learning model based on ViT-L. Learned on InternVid via contrastive learning, this model demonstrates leading zero-shot action recognition and competitive video retrieval performance. Beyond basic video understanding tasks like recognition and retrieval, our dataset and model have broad applications. They are particularly beneficial for generating interleaved video-text data for learning a video-centric dialogue system, advancing video-to-text and text-to-video generation research. These proposed resources provide a tool for researchers and practitioners interested in multimodal video understanding and generation.

We propose **H**e**u**ristic **Bl**ending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

Bilevel optimization is an important formulation for many machine learning problems, such as meta-learning and hyperparameter optimization. Current bilevel optimization algorithms assume that the gradient of the upper-level function is Lipschitz (i.e., the upper-level function has a bounded smoothness parameter). However, recent studies reveal that certain neural networks such as recurrent neural networks (RNNs) and long-short-term memory networks (LSTMs) exhibit potential unbounded smoothness, rendering conventional bilevel optimization algorithms unsuitable for these neural networks. In this paper, we design a new bilevel optimization algorithm, namely BO-REP, to address this challenge. This algorithm updates the upper-level variable using normalized momentum and incorporates two novel techniques for updating the lower-level variable: \textit{initialization refinement} and \textit{periodic updates}. Specifically, once the upper-level variable is initialized, a subroutine is invoked to obtain a refined estimate of the corresponding optimal lower-level variable, and the lower-level variable is updated only after every specific period instead of each iteration. When the upper-level problem is nonconvex and unbounded smooth, and the lower-level problem is strongly convex, we prove that our algorithm requires $\widetilde{O}(1/\epsilon^4)$ \footnote{Here $\widetilde{O}(\cdot)$ compresses logarithmic factors of $1/\epsilon$ and $1/\delta$, where $\delta\in(0,1)$ denotes the failure probability.} iterations to find an $\epsilon$-stationary point in the stochastic setting, where each iteration involves calling a stochastic gradient or Hessian-vector product oracle. Notably, this result matches the state-of-the-art complexity results under the bounded smoothness setting and without mean-squared smoothness of the stochastic gradient, up to logarithmic factors. Our proof relies on novel technical lemmas for the periodically updated lower-level variable, which are of independent interest. Our experiments on hyper-representation learning, hyperparameter optimization, and data hyper-cleaning for text classification tasks demonstrate the effectiveness of our proposed algorithm. The code is available at [https://github.com/MingruiLiu-ML-Lab/Bilevel-Optimization-under-Unbounded-Smoothness](https://github.com/MingruiLiu-ML-Lab/Bilevel-Optimization-under-Unbounded-Smoothness).

Averaging neural network parameters is an intuitive method for fusing the knowledge of two independent models. It is most prominently used in federated learning. If models are averaged at the end of training, this can only lead to a good performing model if the loss surface of interest is very particular, i.e., the loss in the midpoint between the two models needs to be sufficiently low. This is impossible to guarantee for the non-convex losses of state-of-the-art networks. For averaging models trained on vastly different datasets, it was proposed to average only the parameters of particular layers or combinations of layers, resulting in better performing models. To get a better understanding of the effect of layer-wise averaging, we analyse the performance of the models that result from averaging single layers, or groups of layers. Based on our empirical and theoretical investigation, we introduce a novel notion of the layer-wise linear connectivity, and show that deep networks do not have layer-wise barriers between them.

We present a new technique to enhance the robustness of imitation learning methods by generating corrective data to account for compounding error and disturbances. While existing methods rely on interactive expert labeling, additional offline datasets, or domain-specific invariances, our approach requires minimal additional assumptions beyond expert data. The key insight is to leverage local continuity in the environment dynamics. Our method first constructs a dynamics model from the expert demonstration, enforcing local Lipschitz continuity while skipping the discontinuous regions. In the locally continuous regions, this model allows us to generate corrective labels within the neighborhood of the demonstrations but beyond the actual set of states and actions in the dataset. Training on this augmented data enhances the agent's ability to recover from perturbations and deal with compounding error. We demonstrate the effectiveness of our generated labels through experiments in a variety of robotics domains that have distinct forms of continuity and discontinuity, including classic control, drone flying, high-dimensional navigation, locomotion, and tabletop manipulation.

The theoretical landscape of federated learning (FL) undergoes rapid evolution, but its practical application encounters a series of intricate challenges, and hyperparameter optimization is one of these critical challenges. Amongst the diverse adjustments in hyperparameters, the adaptation of the learning rate emerges as a crucial component, holding the promise of significantly enhancing the efficacy of FL systems. In response to this critical need, this paper presents FedHyper, a novel hypergradient-based learning rate adaptation algorithm specifically designed for FL. FedHyper serves as a universal learning rate scheduler that can adapt both global and local rates as the training progresses. In addition, FedHyper not only showcases unparalleled robustness to a spectrum of initial learning rate configurations but also significantly alleviates the necessity for laborious empirical learning rate adjustments. We provide a comprehensive theoretical analysis of FedHyper’s convergence rate and conduct extensive experiments on vision and language benchmark datasets. The results demonstrate that FEDHYPER consistently converges 1.1-3× faster than FedAvg and the competing baselines while achieving superior final accuracy. Moreover, FEDHYPER catalyzes a remarkable surge in accuracy, augmenting it by up to 15% compared to FedAvg under suboptimal initial learning rate settings.

Collaborative perception aims to mitigate the limitations of single-agent perception, such as occlusions, by facilitating data exchange among multiple agents. However, most current works consider a homogeneous scenario where all agents use identity sensors and perception models. In reality, heterogeneous agent types may continually emerge and inevitably face a domain gap when collaborating with existing agents. In this paper, we introduce a new open heterogeneous problem: how to accommodate continually emerging new heterogeneous agent types into collaborative perception, while ensuring high perception performance and low integration cost? To address this problem, we propose HEterogeneous ALliance (HEAL), a novel extensible collaborative perception framework. HEAL first establishes a unified feature space with initial agents via a novel multi-scale foreground-aware Pyramid Fusion network. When heterogeneous new agents emerge with previously unseen modalities or models, we align them to the established unified space with an innovative backward alignment. This step only involves individual training on the new agent type, thus presenting extremely low training costs and high extensibility. To enrich agents' data heterogeneity, we bring OPV2V-H, a new large-scale dataset with more diverse sensor types. Extensive experiments on OPV2V-H and DAIR-V2X datasets show that HEAL surpasses SOTA methods in performance while reducing the training parameters by 91.5\% when integrating 3 new agent types. We further implement a comprehensive codebase at: https://github.com/yifanlu0227/HEAL