NeurIPS 2024 Papers

The study of online algorithms with machine-learned predictions has gained considerable prominence in recent years. One of the common objectives in the design and analysis of such algorithms is to attain (Pareto) optimal tradeoffs between the {\em consistency} of the algorithm, i.e., its performance assuming perfect predictions, and its {\em robustness}, i.e., the performance of the algorithm under adversarial predictions. In this work, we demonstrate that this optimization criterion can be extremely brittle, in that the performance of Pareto-optimal algorithms may degrade dramatically even in the presence of imperceptive prediction error. To remedy this drawback, we propose a new framework in which the smoothness in the performance of the algorithm is enforced by means of a {\em user-specified profile}. This allows us to regulate the performance of the algorithm as a function of the prediction error, while simultaneously maintaining the analytical notion of consistency/robustness tradeoffs, adapted to the profile setting. We apply this new approach to a well-studied online problem, namely the {\em one-way trading} problem. For this problem, we further address another limitation of the state-of-the-art Pareto-optimal algorithms, namely the fact that they are tailored to worst-case, and extremely pessimistic inputs. We propose a new Pareto-optimal algorithm that leverages any deviation from the worst-case input to its benefit, and introduce a new metric that allows us to compare any two Pareto-optimal algorithms via a {\em dominance} relation.

Recently, there have been explorations of generalist segmentation models that can effectively tackle a variety of image segmentation tasks within a unified in-context learning framework. However, these methods still struggle with task ambiguity in in-context segmentation, as not all in-context examples can accurately convey the task information. In order to address this issue, we present SINE, a simple image $\textbf{S}$egmentation framework utilizing $\textbf{in}$-context $\textbf{e}$xamples. Our approach leverages a Transformer encoder-decoder structure, where the encoder provides high-quality image representations, and the decoder is designed to yield multiple task-specific output masks to eliminate task ambiguity effectively. Specifically, we introduce an In-context Interaction module to complement in-context information and produce correlations between the target image and the in-context example and a Matching Transformer that uses fixed matching and a Hungarian algorithm to eliminate differences between different tasks. In addition, we have further perfected the current evaluation system for in-context image segmentation, aiming to facilitate a holistic appraisal of these models. Experiments on various segmentation tasks show the effectiveness of the proposed method.

Exploiting the power of pre-trained models, prompt-based approaches stand out compared to other continual learning solutions in effectively preventing catastrophic forgetting, even with very few learnable parameters and without the need for a memory buffer. While existing prompt-based continual learning methods excel in leveraging prompts for state-of-the-art performance, they often lack a theoretical explanation for the effectiveness of prompting. This paper conducts a theoretical analysis to unravel how prompts bestow such advantages in continual learning, thus offering a new perspective on prompt design. We first show that the attention block of pre-trained models like Vision Transformers inherently encodes a special mixture of experts architecture, characterized by linear experts and quadratic gating score functions. This realization drives us to provide a novel view on prefix tuning, reframing it as the addition of new task-specific experts, thereby inspiring the design of a novel gating mechanism termed Non-linear Residual Gates (NoRGa). Through the incorporation of non-linear activation and residual connection, NoRGa enhances continual learning performance while preserving parameter efficiency. The effectiveness of NoRGa is substantiated both theoretically and empirically across diverse benchmarks and pretraining paradigms. Our code is publicly available at https://github.com/Minhchuyentoancbn/MoE_PromptCL.

Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually crafted convex loss functions. While these methods are based on theoretical insights, they are inherently constrained by human creativity, so the large search space of possible loss functions remains under-explored. We address this by performing LLM-driven *objective discovery* to automatically discover new state-of-the-art preference optimization algorithms without (expert) human intervention. Specifically, we iteratively prompt an LLM to propose and implement new preference optimization loss functions based on previously evaluated performance metrics. This process leads to the discovery of previously unknown and performant preference optimization algorithms. The best performing of these we call *Discovered Preference Optimization* (DiscoPOP), a novel algorithm that adaptively blends logistic and exponential losses. Experiments demonstrate the state-of-the-art performance of DiscoPOP and its successful transfer to held-out tasks.

Recent vision foundation models can extract universal representations and show impressive abilities in various tasks. However, their application on object detection is largely overlooked, especially without fine-tuning them. In this work, we show that frozen foundation models can be a versatile feature enhancer, even though they are not pre-trained for object detection. Specifically, we explore directly transferring the high-level image understanding of foundation models to detectors in the following two ways. First, the class token in foundation models provides an in-depth understanding of the complex scene, which facilitates decoding object queries in the detector's decoder by providing a compact context. Additionally, the patch tokens in foundation models can enrich the features in the detector's encoder by providing semantic details. Utilizing frozen foundation models as plug-and-play modules rather than the commonly used backbone can significantly enhance the detector's performance while preventing the problems caused by the architecture discrepancy between the detector's backbone and the foundation model. With such a novel paradigm, we boost the SOTA query-based detector DINO from 49.0% AP to 51.9% AP (+2.9% AP) and further to 53.8% AP (+4.8% AP) by integrating one or two foundation models respectively, on the COCO validation set after training for 12 epochs with R50 as the detector's backbone. Code will be available.

Large language models (LLMs) have significantly advanced performance across a spectrum of natural language processing (NLP) tasks. Yet, their application to knowledge graphs (KGs), which describe facts in the form of triplets and allow minimal hallucinations, remains an underexplored frontier. In this paper, we investigate the integration of LLMs with KGs by introducing a specialized KG Language (KGL), where a sentence precisely consists of an entity noun, a relation verb, and ends with another entity noun. Despite KGL's unfamiliar vocabulary to the LLM, we facilitate its learning through a tailored dictionary and illustrative sentences, and enhance context understanding via real-time KG context retrieval and KGL token embedding augmentation. Our results reveal that LLMs can achieve fluency in KGL, drastically reducing errors compared to conventional KG embedding methods on KG completion. Furthermore, our enhanced LLM shows exceptional competence in generating accurate three-word sentences from an initial entity and interpreting new unseen terms out of KGs.

Large language models (LLMs) are trained on a deluge of text data with limited quality control. As a result, LLMs can exhibit unintended or even harmful behaviours, such as leaking information, fake news or hate speech. Countermeasures, commonly referred to as preference alignment, include fine-tuning the pretrained LLMs with carefully crafted text examples of desired behaviour. Even then, empirical evidence shows preference aligned LLMs can be enticed to harmful behaviour. This so called jailbreaking of LLMs is typically achieved by adversarially modifying the input prompt to the LLM. Our paper provides theoretical insights into the phenomenon of preference alignment and jailbreaking from a statistical perspective. Under our framework, we first show that pretrained LLMs will mimic harmful behaviour if present in the training corpus. \textbf{Under that same framework, we then introduce a statistical notion of alignment, and lower-bound the jailbreaking probability, showing that it is unpreventable under reasonable assumptions.} Based on our insights, we propose an alteration to the currently prevalent alignment strategy RLHF. Specifically, we introduce a simple modification to the RLHF objective, we call \emph{E-RLHF}, that aims to increase the likelihood of safe responses. \emph{E-RLHF} brings no additional training cost, and is compatible with other methods. Empirically, we demonstrate that \emph{E-RLHF} outperforms RLHF on all alignment problems put forward by the AdvBench \citep{zou2023universal} and HarmBench project \citep{mazeika2024harmbench} without sacrificing model performance as measured by the MT-Bench project \citep{zheng2024judging}.

In this paper, we introduce a new functional point of view on bilevel optimization problems for machine learning, where the inner objective is minimized over a function space. These types of problems are most often solved by using methods developed in the parametric setting, where the inner objective is strongly convex with respect to the parameters of the prediction function. The functional point of view does not rely on this assumption and notably allows using over-parameterized neural networks as the inner prediction function. We propose scalable and efficient algorithms for the functional bilevel optimization problem and illustrate the benefits of our approach on instrumental regression and reinforcement learning tasks.

Variational autoencoders (VAE) employ Bayesian inference to interpret sensory inputs, mirroring processes that occur in primate vision across both ventral (Higgins et al., 2021) and dorsal (Vafaii et al., 2023) pathways. Despite their success, traditional VAEs rely on continuous latent variables, which significantly deviates from the discrete nature of biological neurons. Here, we developed the Poisson VAE (P-VAE), a novel architecture that combines principles of predictive coding with a VAE that encodes inputs into discrete spike counts. Combining Poisson-distributed latent variables with predictive coding introduces a metabolic cost term in the model loss function, suggesting a relationship with sparse coding which we verify empirically. Additionally, we analyze the geometry of learned representations, contrasting the P-VAE to alternative VAE models. We find that the P-VAE encodes its inputs in relatively higher dimensions, facilitating linear separability of categories in a downstream classification task with a much better (5x) sample efficiency. Our work provides an interpretable computational framework to study brain-like sensory processing and paves the way for a deeper understanding of perception as an inferential process.

The Area Under the ROC Curve (AUC) is a well-known metric for evaluating instance-level long-tail learning problems. In the past two decades, many AUC optimization methods have been proposed to improve model performance under long-tail distributions. In this paper, we explore AUC optimization methods in the context of pixel-level long-tail semantic segmentation, a much more complicated scenario. This task introduces two major challenges for AUC optimization techniques. On one hand, AUC optimization in a pixel-level task involves complex coupling across loss terms, with structured inner-image and pairwise inter-image dependencies, complicating theoretical analysis. On the other hand, we find that mini-batch estimation of AUC loss in this case requires a larger batch size, resulting in an unaffordable space complexity. To address these issues, we develop a pixel-level AUC loss function and conduct a dependency-graph-based theoretical analysis of the algorithm's generalization ability. Additionally, we design a Tail-Classes Memory Bank (T-Memory Bank) to manage the significant memory demand. Finally, comprehensive experiments across various benchmarks confirm the effectiveness of our proposed AUCSeg method. The code is available at https://github.com/boyuh/AUCSeg.

Graph regression is a fundamental task that has gained significant attention in various graph learning tasks. However, the inference process is often not easily interpretable. Current explanation techniques are limited to understanding Graph Neural Network (GNN) behaviors in classification tasks, leaving an explanation gap for graph regression models. In this work, we propose a novel explanation method to interpret the graph regression models (XAIG-R). Our method addresses the distribution shifting problem and continuously ordered decision boundary issues that hinder existing methods away from being applied in regression tasks. We introduce a novel objective based on the graph information bottleneck theory (GIB) and a new mix-up framework, which can support various GNNs and explainers in a model-agnostic manner. Additionally, we present a self-supervised learning strategy to tackle the continuously ordered labels in regression tasks. We evaluate our proposed method on three benchmark datasets and a real-life dataset introduced by us, and extensive experiments demonstrate its effectiveness in interpreting GNN models in regression tasks.

This paper studies a risk minimization problem with decision dependent data distribution. The problem pertains to the performative prediction setting in which a trained model can affect the outcome estimated by the model. Such dependency creates a feedback loop that influences the stability of optimization algorithms such as stochastic gradient descent (SGD). We present the first study on performative prediction with smooth but possibly non-convex loss. We analyze a greedy deployment scheme with SGD (SGD-GD). Note that in the literature, SGD-GD is often studied with strongly convex loss. We first propose the definition of stationary performative stable (SPS) solutions through relaxing the popular performative stable condition. We then prove that SGD-GD converges to a biased SPS solution in expectation. We consider two conditions of sensitivity on the distribution shifts: (i) the sensitivity is characterized by Wasserstein-1 distance and the loss is Lipschitz w.r.t.~data samples, or (ii) the sensitivity is characterized by total variation (TV) divergence and the loss is bounded. In both conditions, the bias levels are proportional to the stochastic gradient's variance and sensitivity level. Our analysis is extended to a lazy deployment scheme where models are deployed once per several SGD updates, and we show that it converges to an SPS solution with reduced bias. Numerical experiments corroborate our theories.

Point-based methods have made significant progress, but improving their scalability in large-scale 3D scenes is still a challenging problem. In this paper, we delve into the point-based method and develop a simpler, faster, stronger variant model, dubbed as LinNet. In particular, we first propose the disassembled set abstraction (DSA) module, which is more effective than the previous version of set abstraction. It achieves more efficient local aggregation by leveraging spatial anisotropy and channel anisotropy separately. Additionally, by mapping 3D point clouds onto 1D space-filling curves, we enable parallelization of downsampling and neighborhood queries on GPUs with linear complexity. LinNet, as a purely point-based method, outperforms most previous methods in both indoor and outdoor scenes without any extra attention, and sparse convolution but merely relying on a simple MLP. It achieves the mIoU of 73.7\%, 81.4\%, and 69.1\% on the S3DIS Area5, NuScenes, and SemanticKITTI validation benchmarks, respectively, while speeding up almost 10x times over PointNeXt. Our work further reveals both the efficacy and efficiency potential of the vanilla point-based models in large-scale representation learning. Our code will be available upon publication.

Training agents that are robust to environmental changes remains a significant challenge in deep reinforcement learning (RL). Unsupervised environment design (UED) has recently emerged to address this issue by generating a set of training environments tailored to the agent's capabilities. While prior works demonstrate that UED has the potential to learn a robust policy, their performance is constrained by the capabilities of the environment generation. To this end, we propose a novel UED algorithm, adversarial environment design via regret-guided diffusion models (ADD). The proposed method guides the diffusion-based environment generator with the regret of the agent to produce environments that the agent finds challenging but conducive to further improvement. By exploiting the representation power of diffusion models, ADD can directly generate adversarial environments while maintaining the diversity of training environments, enabling the agent to effectively learn a robust policy. Our experimental results demonstrate that the proposed method successfully generates an instructive curriculum of environments, outperforming UED baselines in zero-shot generalization across novel, out-of-distribution environments.

Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its SVD. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions $f = g \circ h$, one may equivalently penalize the average squared Frobenius norm of $Jg$ and $Jh$. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.

In the past decade, deep conditional generative models have revolutionized the generation of realistic images, extending their application from entertainment to scientific domains. Single-particle cryo-electron microscopy (cryo-EM) is crucial in resolving near-atomic resolution 3D structures of proteins, such as the SARS-COV-2 spike protein. To achieve high-resolution reconstruction, a comprehensive data processing pipeline has been adopted. However, its performance is still limited as it lacks high-quality annotated datasets for training. To address this, we introduce physics-informed generative cryo-electron microscopy (CryoGEM), which for the first time integrates physics-based cryo-EM simulation with a generative unpaired noise translation to generate physically correct synthetic cryo-EM datasets with realistic noises. Initially, CryoGEM simulates the cryo-EM imaging process based on a virtual specimen. To generate realistic noises, we leverage an unpaired noise translation via contrastive learning with a novel mask-guided sampling scheme. Extensive experiments show that CryoGEM is capable of generating authentic cryo-EM images. The generated dataset can be used as training data for particle picking and pose estimation models, eventually improving the reconstruction resolution.

The paper proposes a novel evaluation metric for automatic medical report generation from X-ray images, VLScore. It aims to overcome the limitations of existing evaluation methods, which either focus solely on textual similarities, ignoring clinical aspects, or concentrate only on a single clinical aspect, the pathology, neglecting all other factors. The key idea of our metric is to measure the similarity between radiology reports while considering the corresponding image. We demonstrate the benefit of our metric through evaluation on a dataset where radiologists marked errors in pairs of reports, showing notable alignment with radiologists' judgments. In addition, we provide a new dataset for evaluating metrics. This dataset includes well-designed perturbations that distinguish between significant modifications (e.g., removal of a diagnosis) and insignificant ones. It highlights the weaknesses in current evaluation metrics and provides a clear framework for analysis.

For classification models based on neural networks, the maximum predicted class probability is often used as a confidence score. This score rarely predicts well the probability of making a correct prediction and requires a post-processing calibration step. However, many confidence calibration methods fail for problems with many classes. To address this issue, we transform the problem of calibrating a multiclass classifier into calibrating a single surrogate binary classifier. This approach allows for more efficient use of standard calibration methods. We evaluate our approach on numerous neural networks used for image or text classification and show that it significantly enhances existing calibration methods.

Understanding egocentric human-object interaction (HOI) is a fundamental aspect of human-centric perception, facilitating applications like AR/VR and embodied AI. For the egocentric HOI, in addition to perceiving semantics e.g., ''what'' interaction is occurring, capturing ''where'' the interaction specifically manifests in 3D space is also crucial, which links the perception and operation. Existing methods primarily leverage observations of HOI to capture interaction regions from an exocentric view. However, incomplete observations of interacting parties in the egocentric view introduce ambiguity between visual observations and interaction contents, impairing their efficacy. From the egocentric view, humans integrate the visual cortex, cerebellum, and brain to internalize their intentions and interaction concepts of objects, allowing for the pre-formulation of interactions and making behaviors even when interaction regions are out of sight. In light of this, we propose harmonizing the visual appearance, head motion, and 3D object to excavate the object interaction concept and subject intention, jointly inferring 3D human contact and object affordance from egocentric videos. To achieve this, we present EgoChoir, which links object structures with interaction contexts inherent in appearance and head motion to reveal object affordance, further utilizing it to model human contact. Additionally, a gradient modulation is employed to adopt appropriate clues for capturing interaction regions across various egocentric scenarios. Moreover, 3D contact and affordance are annotated for egocentric videos collected from Ego-Exo4D and GIMO to support the task. Extensive experiments on them demonstrate the effectiveness and superiority of EgoChoir.