ICML 2024 Papers

The widespread practice of fine-tuning large language models (LLMs) on domain-specific data faces two major challenges in memory and privacy. First, as the size of LLMs continues to grow, the memory demands of gradient-based training methods via backpropagation become prohibitively high. Second, given the tendency of LLMs to memorize training data, it is important to protect potentially sensitive information in the fine-tuning data from being regurgitated. Zeroth-order methods, which rely solely on forward passes, substantially reduce memory consumption during training. However, directly combining them with standard differentially private gradient descent suffers more as model size grows. To bridge this gap, we introduce DPZero, a novel private zeroth-order algorithm with nearly dimension-independent rates. The memory efficiency of DPZero is demonstrated in privately fine-tuning RoBERTa and OPT on several downstream tasks. Our code is available at https://github.com/Liang137/DPZero.

The inadequate mixing of conventional Markov Chain Monte Carlo (MCMC) methods for multi-modal distributions presents a significant challenge in practical applications such as Bayesian inference and molecular dynamics. Addressing this, we propose Diffusive Gibbs Sampling (DiGS), an innovative family of sampling methods designed for effective sampling from distributions characterized by distant and disconnected modes. DiGS integrates recent developments in diffusion models, leveraging Gaussian convolution to create an auxiliary noisy distribution that bridges isolated modes in the original space and applying Gibbs sampling to alternately draw samples from both spaces. A novel Metropolis-within-Gibbs scheme is proposed to enhance mixing in the denoising sampling step. DiGS exhibits a better mixing property for sampling multi-modal distributions than state-of-the-art methods such as parallel tempering, attaining substantially improved performance across various tasks, including mixtures of Gaussians, Bayesian neural networks and molecular dynamics.

With the rise of large language models (LLMs) and concerns about potential misuse, watermarks for generative LLMs have recently attracted much attention. An important aspect of such watermarks is the trade-off between their identifiability and their impact on the quality of the generated text. This paper introduces a systematic approach to this trade-off in terms of a multi-objective optimization problem. For a large class of robust, efficient watermarks, the associated Pareto optimal solutions are identified and shown to outperform existing robust, efficient watermarks.

Lightweight image super-resolution (SR) methods have obtained promising results with moderate model complexity. These approaches primarily focus on a lightweight architecture design, but neglect to further reduce network redundancy. While some model compression techniques try to achieve more lightweight SR models with neural architecture search, knowledge distillation, or channel pruning, they typically require considerable extra computational resources or neglect to prune weights. To address these issues, we propose a flexible meta pruning (FMP) for lightweight image SR, where the network channels and weights are pruned simultaneously. Specifically, we control the network sparsity via channel vectors and weight indicators. We feed them into a hypernetwork, whose parameters act as meta-data for the parameters of the SR backbone. Consequently, for each network layer, we conduct structured pruning with channel vectors, which control the output and input channels. Besides, we conduct unstructured pruning with weight indicators to influence the sparsity of kernel weights, resulting in flexible pruning. During pruning, the sparsity of both channel vectors and weight indicators are regularized. We optimize the channel vectors and weight indicators with proximal gradient and SGD. We conduct extensive experiments to investigate critical factors in the flexible channel and weight pruning for image SR, demonstrating the superiority of our FMP when applied to baseline image SR architectures.

Climate change exacerbates riverine floods, which occur with higher frequency and intensity than ever. The much-needed forecasting systems typically rely on accurate river discharge predictions. To this end, the SOTA data-driven approaches treat forecasting at spatially distributed gauge stations as isolated problems, even within the same river network. However, incorporating the known topology of the river network into the prediction model has the potential to leverage the adjacency relationship between gauges. Thus, we model river discharge for a network of gauging stations with GNNs and compare the forecasting performance achieved by different adjacency definitions. Our results show that the model fails to benefit from the river network topology information, both on the entire network and small subgraphs. The learned edge weights correlate with neither of the static definitions and exhibit no regular pattern. Furthermore, the GNNs struggle to predict sudden, narrow discharge spikes. Our work hints at a more general underlying phenomenon of neural prediction not always benefitting from graphical structure and may inspire a systematic study of the conditions under which this happens.

Recent advancements in Large Language Models (LLMs) have showcased remarkable capabilities across various tasks in different domains. However, the emergence of biases and the potential for generating harmful content in LLMs, particularly under malicious inputs, pose significant challenges. Current mitigation strategies, while effective, are not resilient under adversarial attacks. This paper introduces Resilient Guardrails for Large Language Models (RigorLLM), a novel framework designed to efficiently and effectively moderate harmful and unsafe inputs and outputs for LLMs. By employing a multi-faceted approach that includes energy-based training data augmentation through Langevin dynamics, optimizing a safe suffix for inputs via minimax optimization, and integrating a fusion-based model combining robust KNN with LLMs based on our data augmentation, RigorLLM offers a robust solution to harmful content moderation. Our experimental evaluations demonstrate that RigorLLM not only outperforms existing baselines like OpenAI API and Perspective API in detecting harmful content but also exhibits unparalleled resilience to jailbreaking attacks. The innovative use of constrained optimization and a fusion-based guardrail approach represents a significant step forward in developing more secure and reliable LLMs, setting a new standard for content moderation frameworks in the face of evolving digital threats.

Scribble-supervised semantic segmentation presents a cost-effective training method that utilizes annotations generated through scribbling. It is valued in attaining high performance while minimizing annotation costs, which has made it highly regarded among researchers. Scribble supervision propagates information from labeled pixels to the surrounding unlabeled pixels, enabling semantic segmentation for the entire image. However, existing methods often ignore the features of classified pixels during feature propagation. To address these limitations, this paper proposes a prototype-based feature augmentation method that leverages feature prototypes to augment scribble supervision. Experimental results demonstrate that our approach achieves state-of-the-art performance on the PASCAL VOC 2012 dataset in scribble-supervised semantic segmentation tasks. The code is available at https://github.com/TranquilChan/PFA.

Large language models (LLMs) have significantly advanced the field of artificial intelligence. Yet, evaluating them comprehensively remains challenging. We argue that this is partly due to the predominant focus on performance metrics in most benchmarks. This paper introduces *CogBench*, a benchmark that includes ten behavioral metrics derived from seven cognitive psychology experiments. This novel approach offers a toolkit for phenotyping LLMs’ behavior. We apply *CogBench* to 40 LLMs, yielding a rich and diverse dataset. We analyze this data using statistical multilevel modeling techniques, accounting for the nested dependencies among fine-tuned versions of specific LLMs. Our study highlights the crucial role of model size and reinforcement learning from human feedback (RLHF) in improving performance and aligning with human behavior. Interestingly, we find that open-source models are less risk-prone than proprietary models and that fine-tuning on code does not necessarily enhance LLMs' behavior. Finally, we explore the effects of prompt-engineering techniques. We discover that chain-of-thought prompting improves probabilistic reasoning, while take-a-step-back prompting fosters model-based behaviors.

Compositional reasoning capabilities are usually considered as fundamental skills to characterize human perception. Recent studies show that current Vision Language Models (VLMs) surprisingly lack sufficient knowledge with respect to such capabilities. To this end, we propose to thoroughly diagnose the composition representations encoded by VLMs, systematically revealing the potential cause for this weakness. Specifically, we propose evaluation methods from a novel game-theoretic view to assess the vulnerability of VLMs on different aspects of compositional understanding, e.g., relations and attributes. Extensive experimental results demonstrate and validate several insights to understand the incapabilities of VLMs on compositional reasoning, which provide useful and reliable guidance for future studies. The deliverables will be updated [here](https://vlms-compositionality-gametheory.github.io/).

We develop two density ratio estimation (DRE) methods with robustness to outliers. These are based on the divergence with a weight function to weaken the adverse effects of outliers. One is based on the Unnormalized Kullback-Leibler divergence, called Weighted DRE, and its optimization is a convex problem. The other is based on the γ-divergence, called γ-DRE, which improves a normalizing term problem of Weighted DRE. Its optimization is a DC (Difference of Convex functions) problem and needs more computation than a convex problem. These methods have doubly strong robustness, which means robustness to the heavy contamination of both the reference and target distributions. Numerical experiments show that our proposals are more robust than the previous methods.

Public models offer predictions to a variety of downstream tasks and have played a crucial role in various AI applications, showcasing their proficiency in accurate predictions. However, the exclusive emphasis on prediction accuracy may not align with the diverse end objectives of downstream agents. Recognizing the public model's predictions as a service, we advocate for integrating the objectives of downstream agents into the optimization process. Concretely, to address performance disparities and foster fairness among heterogeneous agents in training, we propose a novel Equitable Objective. This objective, coupled with a policy gradient algorithm, is crafted to train the public model to produce a more equitable/uniform performance distribution across downstream agents, each with their unique concerns. Both theoretical analysis and empirical case studies have proven the effectiveness of our method in advancing performance equity across diverse downstream agents utilizing the public model for their decision-making. Codes and datasets are released at https://github.com/Ren-Research/Socially-Equitable-Public-Models.

In many problems, the measured variables (e.g., image pixels) are just mathematical functions of the latent causal variables (e.g., the underlying concepts or objects). For the purpose of making predictions in changing environments or making proper changes to the system, it is helpful to recover the latent causal variables $Z_i$ and their causal relations represented by graph $\mathcal{G}_Z$. This problem has recently been known as causal representation learning. This paper is concerned with a general, completely nonparametric setting of causal representation learning from multiple distributions (arising from heterogeneous data or nonstationary time series), without assuming hard interventions behind distribution changes. We aim to develop general solutions in this fundamental case; as a by product, this helps see the unique benefit offered by other assumptions such as parametric causal models or hard interventions. We show that under the sparsity constraint on the recovered graph over the latent variables and suitable sufficient change conditions on the causal influences, interestingly, one can recover the moralized graph of the underlying directed acyclic graph, and the recovered latent variables and their relations are related to the underlying causal model in a specific, nontrivial way. In some cases, most latent variables can even be recovered up to component-wise transformations. Experimental results verify our theoretical claims.

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.

We present evidence of substantial benefit from efficient exploration in gathering human feedback to improve large language models. In our experiments, an agent sequentially generates queries while fitting a reward model to the feedback received. Our best-performing agent generates queries using double Thompson sampling, with uncertainty represented by an epistemic neural network. Our results demonstrate that efficient exploration enables high levels of performance with far fewer queries. Further, both uncertainty estimation and the choice of exploration scheme play critical roles.

Ambient diffusion is a recently proposed framework for training diffusion models using corrupted data. Both Ambient Diffusion and alternative SURE-based approaches for learning diffusion models from corrupted data resort to approximations which deteriorate performance. We present the first framework for training diffusion models that provably sample from the uncorrupted distribution given only noisy training data, solving an open problem in Ambient diffusion. Our key technical contribution is a method that uses a double application of Tweedie's formula and a consistency loss function that allows us to extend sampling at noise levels below the observed data noise. We also provide further evidence that diffusion models memorize from their training sets by identifying extremely corrupted images that are almost perfectly reconstructed, raising copyright and privacy concerns. Our method for training using corrupted samples can be used to mitigate this problem. We demonstrate this by fine-tuning Stable Diffusion XL to generate samples from a distribution using only noisy samples. Our framework reduces the amount of memorization of the fine-tuning dataset, while maintaining competitive performance.

1-bit detectors show impressive performance comparable to their real-valued counterparts when detecting commonly sized objects while exhibiting significant performance degradation on tiny objects. The challenge stems from the fact that high-level features extracted by 1-bit convolutions seem less compelling to reveal the discriminative foreground features. To address these issues, we introduce a Discriminative Feature Refinement method for 1-bit Detectors (DFR-Det), aiming to enhance the discriminative ability of foreground representation for tiny objects in aerial images. This is accomplished by refining the feature representation using an information bottleneck (IB) to achieve a distinctive representation of tiny objects. Specifically, we introduce a new decoder with a foreground mask, aiming to enhance the discriminative ability of high-level features for the target but suppress the background impact. Additionally, our decoder is simple but effective and can be easily mounted on existing detectors without extra burden added to the inference procedure. Extensive experiments on various tiny object detection (TOD) tasks demonstrate DFR-Det's superiority over state-of-the-art 1-bit detectors. For example, 1-bit FCOS achieved by DFR-Det achieves the 12.8% AP on AI-TOD dataset, approaching the performance of the real-valued counterpart.

Many real-world tasks require an agent to reason jointly over text and visual objects, (e.g., navigating in public spaces), which we refer to as context-sensitive text-rich visual reasoning. Specifically, these tasks require an understanding of the context in which the text interacts with visual elements within an image. However, there is a lack of existing datasets to benchmark the state-of-the-art multimodal models' capability on context-sensitive text-rich visual reasoning. In this paper, we introduce ConTextual, a novel dataset featuring human-crafted instructions that require context-sensitive reasoning for text-rich images. We conduct experiments to assess the performance of 14 foundation models (GPT-4V, Gemini-Pro-Vision, LLaVA-Next) and establish a human performance baseline. Further, we perform human evaluations of the model responses and observe a significant performance gap of 30.8% between GPT-4V (the current best-performing Large Multimodal Model) and human performance. Our fine-grained analysis reveals that GPT-4V encounters difficulties interpreting time-related data and infographics. However, it demonstrates proficiency in comprehending abstract visual contexts such as memes and quotes. Finally, our qualitative analysis uncovers various factors contributing to poor performance including lack of precise visual perception and hallucinations. Our dataset, code, and leaderboard can be found on the project page https://con-textual.github.io/.

Feature attribution, the ability to localize regions of the input data that are relevant for classification, is an important capability for ML models in scientific and biomedical domains. Current methods for feature attribution, which rely on "explaining" the predictions of end-to-end classifiers, suffer from imprecise feature localization and are inadequate for use with small sample sizes and high-dimensional datasets due to computational challenges. We introduce prospector heads, an efficient and interpretable alternative to explanation-based attribution methods that can be applied to any encoder and any data modality. Prospector heads generalize across modalities through experiments on sequences (text), images (pathology), and graphs (protein structures), outperforming baseline attribution methods by up to 26.3 points in mean localization AUPRC. We also demonstrate how prospector heads enable improved interpretation and discovery of class-specific patterns in input data. Through their high performance, flexibility, and generalizability, prospectors provide a framework for improving trust and transparency for ML models in complex domains.

Smoothed particle hydrodynamics (SPH) is omnipresent in modern engineering and scientific disciplines. SPH is a class of Lagrangian schemes that discretize fluid dynamics via finite material points that are tracked through the evolving velocity field. Due to the particle-like nature of the simulation, graph neural networks (GNNs) have emerged as appealing and successful surrogates. However, the practical utility of such GNN-based simulators relies on their ability to faithfully model physics, providing accurate and stable predictions over long time horizons - which is a notoriously hard problem. In this work, we identify particle clustering originating from tensile instabilities as one of the primary pitfalls. Based on these insights, we enhance both training and rollout inference of state-of-the-art GNN-based simulators with varying components from standard SPH solvers, including pressure, viscous, and external force components. All Neural SPH-enhanced simulators achieve better performance than the baseline GNNs, often by orders of magnitude in terms of rollout error, allowing for significantly longer rollouts and significantly better physics modeling. Code available under https://github.com/tumaer/neuralsph.