ICML 2024 Papers

The Vision Transformer (ViT) demonstrates exceptional performance in various computer vision tasks. Attention is crucial for ViT to capture complex wide-ranging relationships among image patches, allowing the model to weigh the importance of image patches and aiding our understanding of the decision-making process. However, when utilizing the attention of ViT as evidence in high-stakes decision-making tasks such as medical diagnostics, a challenge arises due to the potential of attention mechanisms erroneously focusing on irrelevant regions. In this study, we propose a statistical test for ViT's attentions, enabling us to use the attentions as reliable quantitative evidence indicators for ViT's decision-making with a rigorously controlled error rate. Using the framework called selective inference, we quantify the statistical significance of attentions in the form of p-values, which enables the theoretically grounded quantification of the false positive detection probability of attentions. We demonstrate the validity and the effectiveness of the proposed method through numerical experiments and applications to brain image diagnoses.

Graph Transformer, due to its global attention mechanism, has emerged as a new tool in dealing with graph-structured data. It is well recognized that the global attention mechanism considers a wider receptive field in a fully connected graph, leading many to believe that useful information can be extracted from all the nodes. In this paper, we challenge this belief: does the globalizing property always benefit Graph Transformers? We reveal the over-globalizing problem in Graph Transformer by presenting both empirical evidence and theoretical analysis, i.e., the current attention mechanism overly focuses on those distant nodes, while the near nodes, which actually contain most of the useful information, are relatively weakened. Then we propose a novel Bi-Level Global Graph Transformer with Collaborative Training (CoBFormer), including the inter-cluster and intra-cluster Transformers, to prevent the over-globalizing problem while keeping the ability to extract valuable information from distant nodes. Moreover, the collaborative training is proposed to improve the model's generalization ability with a theoretical guarantee. Extensive experiments on various graphs well validate the effectiveness of our proposed CoBFormer.

Pixel-wise regression tasks (e.g., monocular depth estimation (MDE) and optical flow estimation (OFE)) have been widely involved in our daily life in applications like autonomous driving, augmented reality and video composition. Although certain applications are security-critical or bear societal significance, the adversarial robustness of such models are not sufficiently studied, especially in the black-box scenario. In this work, we introduce the first unified black-box adversarial patch attack framework against pixel-wise regression tasks, aiming to identify the vulnerabilities of these models under query-based black-box attacks. We propose a novel square-based adversarial patch optimization framework and employ probabilistic square sampling and score-based gradient estimation techniques to generate the patch effectively and efficiently, overcoming the scalability problem of previous black-box patch attacks. Our attack prototype, named BadPart, is evaluated on both MDE and OFE tasks, utilizing a total of 7 models. BadPart surpasses 3 baseline methods in terms of both attack performance and efficiency. We also apply BadPart on the Google online service for portrait depth estimation, causing 43.5% relative distance error with 50K queries. State-of-the-art (SOTA) countermeasures cannot defend our attack effectively.

Multi-view clustering has been widely explored for its effectiveness in harmonizing heterogeneity along with consistency in different views of data. Despite the significant progress made by recent works, the performance of most existing methods is heavily reliant on strong priori information regarding the true cluster number $\textit{K}$, which is rarely feasible in real-world scenarios. In this paper, we propose a novel graph-based multi-view clustering algorithm to infer unknown $\textit{K}$ through a graph consistency reward mechanism. To be specific, we evaluate the cluster indicator matrix during each iteration with respect to diverse $\textit{K}$. We formulate the inference process of unknown $\textit{K}$ as a parsimonious reinforcement learning paradigm, where the reward is measured by inter-cluster connectivity. As a result, our approach is capable of independently producing the final clustering result, free from the input of a predefined cluster number. Experimental results on multiple benchmark datasets demonstrate the effectiveness of our proposed approach in comparison to existing state-of-the-art methods.

Recent works show that reducing the number of layers in a convolutional neural network can enhance efficiency while maintaining the performance of the network. Existing depth compression methods remove redundant non-linear activation functions and merge the consecutive convolution layers into a single layer. However, these methods suffer from a critical drawback; the kernel size of the merged layers becomes larger, significantly undermining the latency reduction gained from reducing the depth of the network. We show that this problem can be addressed by jointly pruning convolution layers and activation functions. To this end, we propose *LayerMerge*, a novel depth compression method that selects which activation layers and convolution layers to remove, to achieve a desired inference speed-up while minimizing performance loss. Since the corresponding selection problem involves an exponential search space, we formulate a novel surrogate optimization problem and efficiently solve it via dynamic programming. Empirical results demonstrate that our method consistently outperforms existing depth compression and layer pruning methods on various network architectures, both on image classification and generation tasks. We release the code at https://github.com/snu-mllab/LayerMerge.

While overparameterization in machine learning models offers great benefits in terms of optimization and generalization, it also leads to increased computational requirements as model sizes grow. In this work, we show that by leveraging the inherent low-dimensional structures of data and compressible dynamics within the model parameters, we can reap the benefits of overparameterization without the computational burdens. In practice, we demonstrate the effectiveness of this approach for deep low-rank matrix completion as well as fine-tuning language models. Our approach is grounded in theoretical findings for deep overparameterized low-rank matrix recovery, where we show that the learning dynamics of each weight matrix are confined to an invariant low-dimensional subspace. Consequently, we can construct and train compact, highly compressed factorizations possessing the same benefits as their overparameterized counterparts. In the context of deep matrix completion, our technique substantially improves training efficiency while retaining the advantages of overparameterization. For language model fine-tuning, we propose a method called "Deep LoRA", which improves the existing low-rank adaptation (LoRA) technique, leading to reduced overfitting and a simplified hyperparameter setup, while maintaining comparable efficiency. We validate the effectiveness of Deep LoRA on natural language tasks, particularly when fine-tuning with limited data.

Non-linear mixed-effects models are a powerful tool for studying heterogeneous populations in various fields, including biology, medicine, economics, and engineering. Here, the aim is to find a distribution over the parameters that describe the whole population using a model that can generate simulations for an individual of that population. However, fitting these distributions to data is computationally challenging if the description of individuals is complex and the population is large. To address this issue, we propose a novel machine learning-based approach: We exploit neural density estimation based on conditional normalizing flows to approximate individual-specific posterior distributions in an amortized fashion, thereby allowing for efficient inference of population parameters. Applying this approach to problems from cell biology and pharmacology, we demonstrate its unseen flexibility and scalability to large data sets compared to established methods.

We present a novel theoretical framework for understanding the expressive power of normalizing flows. Despite their prevalence in scientific applications, a comprehensive understanding of flows remains elusive due to their restricted architectures. Existing theorems fall short as they require the use of arbitrarily ill-conditioned neural networks, limiting practical applicability. We propose a distributional universality theorem for well-conditioned coupling-based normalizing flows such as RealNVP. In addition, we show that volume-preserving normalizing flows are not universal, what distribution they learn instead, and how to fix their expressivity. Our results support the general wisdom that affine and related couplings are expressive and in general outperform volume-preserving flows, bridging a gap between empirical results and theoretical understanding.

The maximal coding rate reduction (MCR$^2$) objective for learning structured and compact deep representations is drawing increasing attention, especially after its recent usage in the derivation of fully explainable and highly effective deep network architectures. However, it lacks a complete theoretical justification: only the properties of its global optima are known, and its global landscape has not been studied. In this work, we give a complete characterization of the properties of all its local and global optima as well as other types of critical points. Specifically, we show that each (local or global) maximizer of the MCR$^2$ problem corresponds to a low-dimensional, discriminative, and diverse representation, and furthermore, each critical point of the objective is either a local maximizer or a strict saddle point. Such a favorable landscape makes MCR$^2$ a natural choice of objective for learning diverse and discriminative representations via first-order optimization. To further verify our theoretical findings, we illustrate these properties with extensive experiments on both synthetic and real data sets.

Recently, there has been a surge of interest in developing graph neural networks that utilize the invariance principle on graphs to generalize the out-of-distribution (OOD) data. Due to the limited knowledge about OOD data, existing approaches often pose assumptions about the correlation strengths of the underlying spurious features and the target labels. However, this prior is often unavailable and will change arbitrarily in the real-world scenarios, which may lead to severe failures of the existing graph invariance learning methods. To bridge this gap, we introduce a novel graph invariance learning paradigm, which induces a robust and general inductive bias, which is built upon the observation that the infomax principle encourages learning spurious features regardless of spurious correlation strengths. We further propose the EQuAD framework that realizes this learning paradigm and employs tailored learning objectives that provably elicit invariant features by disentangling them from the spurious features learned through infomax. Notably, EQuAD shows stable and enhanced performance across different degrees of bias in synthetic datasets and challenging real-world datasets up to 31.76%.

Recent advances in text-guided image compression have shown great potential to enhance the perceptual quality of reconstructed images. These methods, however, tend to have significantly degraded pixel-wise fidelity, limiting their practicality. To fill this gap, we develop a new text-guided image compression algorithm that achieves both high perceptual and pixel-wise fidelity. In particular, we propose a compression framework that leverages text information mainly by text-adaptive encoding and training with joint image-text loss. By doing so, we avoid decoding based on text-guided generative models---known for high generative diversity---and effectively utilize the semantic information of text at a global level. Experimental results on various datasets show that our method can achieve high pixel-level and perceptual quality, with either human- or machine-generated captions. In particular, our method outperforms all baselines in terms of LPIPS, with some room for even more improvements when we use more carefully generated captions.

Large language model behavior is shaped by the language of those with whom they interact. This capacity and their increasing prevalence online portend that they will intentionally or unintentionally "program" one another and form emergent AI subjectivities, relationships, and collectives. Here, we call upon the research community to investigate these "societies" of interacting artificial intelligences to increase their rewards and reduce their risks for human society and the health of online environments. We use a small "community" of models and their evolving outputs to illustrate how such emergent, decentralized AI collectives can spontaneously expand the bounds of human diversity and reduce the risk of toxic, anti-social behavior online. Finally, we discuss opportunities for AI cross-moderation and address ethical issues and design challenges associated with creating and maintaining free-formed AI collectives.

Continuously learning a variety of audio-video semantics over time is crucial for audio-related reasoning tasks in our ever-evolving world. However, this is a nontrivial problem and poses two critical challenges: sparse spatio-temporal correlation between audio-video pairs and multimodal correlation overwriting that forgets audio-video relations. To tackle this problem, we propose a new continual audio-video pre-training method with two novel ideas: (1) Localized Patch Importance Scoring: we introduce a multimodal encoder to determine the importance score for each patch, emphasizing semantically intertwined audio-video patches. (2) Replay-guided Correlation Assessment: to reduce the corruption of previously learned audiovisual knowledge due to drift, we propose to assess the correlation of the current patches on the past steps to identify the patches exhibiting high correlations with the past steps. Based on the results from the two ideas, we perform probabilistic patch selection for effective continual audio-video pre-training. Experimental validation on multiple benchmarks shows that our method achieves a $3.69\%$p of relative performance gain in zero-shot retrieval tasks compared to strong continual learning baselines, while reducing memory consumption by $\sim 45 \%$.

We investigate the potential of patent data for improving the antibody humanness prediction using a multi-stage, multi-loss training process. Humanness serves as a proxy for the immunogenic response to antibody therapeutics, one of the major causes of attrition in drug discovery and a challenging obstacle for their use in clinical settings. We pose the initial learning stage as a weakly-supervised contrastive-learning problem, where each antibody sequence is associated with possibly multiple identifiers of function and the objective is to learn an encoder that groups them according to their patented properties. We then freeze a part of the contrastive encoder and continue training it on the patent data using the cross-entropy loss to predict the humanness score of a given antibody sequence. We illustrate the utility of the patent data and our approach by performing inference on three different immunogenicity datasets, unseen during training. Our empirical results demonstrate that the learned model consistently outperforms the alternative baselines and establishes new state-of-the-art on five out of six inference tasks, irrespective of the used metric.

Recently, considerable efforts have been directed towards compressing Large Language Models (LLMs), which showcase groundbreaking capabilities across diverse applications but entail significant deployment costs due to their large sizes. Meanwhile, much less attention has been given to mitigating the costs associated with deploying multiple LLMs of varying sizes despite its practical significance. Thus, this paper introduces any-precision LLM, extending the concept of any-precision DNN to LLMs. Addressing challenges in any-precision LLM, we propose a lightweight method for any-precision quantization of LLMs, leveraging a post-training quantization framework, and develop a specialized software engine for its efficient serving. As a result, our solution significantly reduces the high costs of deploying multiple, different-sized LLMs by overlaying LLMs quantized to varying bit-widths, such as 3, 4, ..., $n$ bits, into a memory footprint comparable to a single $n$-bit LLM. All the supported LLMs with varying bit-widths demonstrate state-of-the-art model quality and inference throughput, proving itself to be a compelling option for deployment of multiple, different-sized LLMs.

The challenge of interpreting the world from a human perspective in Artificial Intelligence (AI) is particularly evident in egocentric video question answering, which grapples with issues like small object recognition, noise suppression, and spatial-temporal reasoning. To address these challenges, we introduce the Multi-Factor Adaptive vision Selection (MFAS) framework. MFAS integrates a patch partition and merging module for enhanced small object recognition, a prior-guided patch selection module for noise suppression and focused analysis, and a hierarchical aggregation network to aggregate visual semantics guided by questions. Extensive experiments on several public egocentric datasets have validated the effectiveness and generalization of our framework. Code and data are available in https://github.com/Hyu-Zhang/EgoVideoQA.

Masked face recognition is important for social good but challenged by diverse occlusions that cause insufficient or inaccurate representations. In this work, we propose a unified deep network to learn generative-to-discriminative representations for facilitating masked face recognition. To this end, we split the network into three modules and learn them on synthetic masked faces in a greedy module-wise pretraining manner. First, we leverage a generative encoder pretrained for face inpainting and finetune it to represent masked faces into category-aware descriptors. Attribute to the generative encoder's ability in recovering context information, the resulting descriptors can provide occlusion-robust representations for masked faces, mitigating the effect of diverse masks. Then, we incorporate a multi-layer convolutional network as a discriminative reformer and learn it to convert the category-aware descriptors into identity-aware vectors, where the learning is effectively supervised by distilling relation knowledge from off-the-shelf face recognition model. In this way, the discriminative reformer together with the generative encoder serves as the pretrained backbone, providing general and discriminative representations towards masked faces. Finally, we cascade one fully-connected layer following by one softmax layer into a feature classifier and finetune it to identify the reformed identity-aware vectors. Extensive experiments on synthetic and realistic datasets demonstrate the effectiveness of our approach in recognizing masked faces.

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product $BA$, we observe that the $B$ and $A$ matrices have distinct functions: $A$ extracts features from the input, while $B$ uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning $B$ is inherently more effective than fine-tuning $A$, and that a random untrained $A$ should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training $B$ improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs. The code and data is available at https://github.com/Jiacheng-Zhu-AIML/AsymmetryLoRA

Much of the causal discovery literature prioritises guaranteeing the identifiability of causal direction in statistical models. For structures within a Markov equivalence class, this requires strong assumptions which may not hold in real-world datasets, ultimately limiting the usability of these methods. Building on previous attempts, we show how to incorporate causal assumptions within the Bayesian framework. Identifying causal direction then becomes a Bayesian model selection problem. This enables us to construct models with realistic assumptions, and consequently allows for the differentiation between Markov equivalent causal structures. We analyse why Bayesian model selection works in situations where methods based on maximum likelihood fail. To demonstrate our approach, we construct a Bayesian non-parametric model that can flexibly model the joint distribution. We then outperform previous methods on a wide range of benchmark datasets with varying data generating assumptions.