NeurIPS 2024 Papers

We define what it means for a joint probability distribution to be compatible with aset of independent causal mechanisms, at a qualitative level—or, more precisely with a directed hypergraph $\mathcal A$, which is the qualitative structure of a probabilistic dependency graph (PDG). When A represents a qualitative Bayesian network, QIM-compatibility with $\mathcal A$ reduces to satisfying the appropriate conditional independencies. But giving semantics to hypergraphs using QIM-compatibility lets us do much more. For one thing, we can capture functional dependencies. For another, we can capture important aspects of causality using compatibility: we can use compatibility to understand cyclic causal graphs, and to demonstrate structural compatibility, we must essentially produce a causal model. Finally, compatibility has deep connections to information theory. Applying compatibility to cyclic structures helps to clarify a longstanding conceptual issue in information theory.

Estimating causal quantities from observational data is crucial for understanding the safety and effectiveness of medical treatments. However, to make reliable inferences, medical practitioners require not only estimating averaged causal quantities, such as the conditional average treatment effect, but also understanding the randomness of the treatment effect as a random variable. This randomness is referred to as aleatoric uncertainty and is necessary for understanding the probability of benefit from treatment or quantiles of the treatment effect. Yet, the aleatoric uncertainty of the treatment effect has received surprisingly little attention in the causal machine learning community. To fill this gap, we aim to quantify the aleatoric uncertainty of the treatment effect at the covariate-conditional level, namely, the conditional distribution of the treatment effect (CDTE). Unlike average causal quantities, the CDTE is not point identifiable without strong additional assumptions. As a remedy, we employ partial identification to obtain sharp bounds on the CDTE and thereby quantify the aleatoric uncertainty of the treatment effect. We then develop a novel, orthogonal learner for the bounds on the CDTE, which we call AU-learner. We further show that our AU-learner has several strengths in that it satisfies Neyman-orthogonality and, thus, quasi-oracle efficiency. Finally, we propose a fully-parametric deep learning instantiation of our AU-learner.

Open-vocabulary 3D object detection (OV-3Det) aims to generalize beyond the limited number of base categories labeled during the training phase. The biggest bottleneck is the scarcity of annotated 3D data, whereas 2D image datasets are abundant and richly annotated. Consequently, it is intuitive to leverage the wealth of annotations in 2D images to alleviate the inherent data scarcity in OV-3Det. In this paper, we push the task setup to its limits by exploring the potential of using solely 2D images to learn OV-3Det. The major challenges for this setup is the modality gap between training images and testing point clouds, which prevents effective integration of 2D knowledge into OV-3Det. To address this challenge, we propose a novel framework ImOV3D to leverage pseudo multimodal representation containing both images and point clouds (PC) to close the modality gap. The key of ImOV3D lies in flexible modality conversion where 2D images can be lifted into 3D using monocular depth estimation and can also be derived from 3D scenes through rendering. This allows unifying both training images and testing point clouds into a common image-PC representation, encompassing a wealth of 2D semantic information and also incorporating the depth and structural characteristics of 3D spatial data. We carefully conduct such conversion to minimize the domain gap between training and test cases. Extensive experiments on two benchmark datasets, SUNRGBD and ScanNet, show that ImOV3D significantly outperforms existing methods, even in the absence of ground truth 3D training data. With the inclusion of a minimal amount of real 3D data for fine-tuning, the performance also significantly surpasses previous state-of-the-art. Codes and pre-trained models are released on the https://github.com/yangtiming/ImOV3D.

Plasticity loss, trainability loss, and primacy bias have been identified as issues arising when training deep neural networks on sequences of tasks---referring to the increased difficulty in training on new tasks. We propose to use Parseval regularization, which maintains orthogonality of weight matrices, to preserve useful optimization properties and improve training in a continual reinforcement learning setting. We show that it provides significant benefits to RL agents on a suite of gridworld, CARL and MetaWorld tasks. We conduct comprehensive ablations to identify the source of its benefits and investigate the effect of certain metrics associated to network trainability including weight matrix rank, weight norms and policy entropy.

In recent years, Dynamic Sparse Training (DST) has emerged as an alternative to post-training pruning for generating efficient models. In principle, DST allows for a much more memory efficient training process, as it maintains sparsity throughout the entire training run. However, current DST implementations fail to capitalize on this. Because sparse matrix multiplication is much less efficient than dense matrix multiplication on GPUs, most implementations simulate sparsity by masking weights. In this paper, we leverage recent advances in semi-structured sparse training to apply DST in the domain of classification with large output spaces, where memory-efficiency is paramount. With a label space of possibly millions of candidates, the classification layer alone will consume several gigabytes of memory. Switching from a dense to a fixed fan-in sparse layer updated with sparse evolutionary training (SET); however, severely hampers training convergence, especially at the largest label spaces. We find that the gradients fed back from the classifier into the text encoder make it much more difficult to learn good input representations, despite using a dense encoder. By employing an intermediate layer or adding an auxiliary training objective, we recover most of the generalisation performance of the dense model. Overall, we demonstrate the applicability of DST in a challenging domain, characterized by a highly skewed label distribution, that lies outside of DST's typical benchmark datasets, and enable end-to-end training with millions of labels on commodity hardware.

Mechanistic interpretability methods aim to identify the algorithm a neural network implements, but it is difficult to validate such methods when the true algorithm is unknown. This work presents InterpBench, a collection of semi-synthetic yet realistic transformers with known circuits for evaluating these techniques. We train simple neural networks using a stricter version of Interchange Intervention Training (IIT) which we call Strict IIT (SIIT). Like the original, SIIT trains neural networks by aligning their internal computation with a desired high-level causal model, but it also prevents non-circuit nodes from affecting the model's output. We evaluate SIIT on sparse transformers produced by the Tracr tool and find that SIIT models maintain Tracr's original circuit while being more realistic. SIIT can also train transformers with larger circuits, like Indirect Object Identification (IOI). Finally, we use our benchmark to evaluate existing circuit discovery techniques.

Diffusion models have achieved remarkable advancements in text-to-image generation. However, existing models still have many difficulties when faced with multiple-object compositional generation. In this paper, we propose ***RealCompo***, a new *training-free* and *transferred-friendly* text-to-image generation framework, which aims to leverage the respective advantages of text-to-image models and spatial-aware image diffusion models (e.g., layout, keypoints and segmentation maps) to enhance both realism and compositionality of the generated images. An intuitive and novel *balancer* is proposed to dynamically balance the strengths of the two models in denoising process, allowing plug-and-play use of any model without extra training. Extensive experiments show that our RealCompo consistently outperforms state-of-the-art text-to-image models and spatial-aware image diffusion models in multiple-object compositional generation while keeping satisfactory realism and compositionality of the generated images. Notably, our RealCompo can be seamlessly extended with a wide range of spatial-aware image diffusion models and stylized diffusion models. Code is available at: https://github.com/YangLing0818/RealCompo

Designing single-task image restoration models for specific degradation has seen great success in recent years. To achieve generalized image restoration, all-in-one methods have recently been proposed and shown potential for multiple restoration tasks using one single model. Despite the promising results, the existing all-in-one paradigm still suffers from high computational costs as well as limited generalization on unseen degradations. In this work, we introduce an alternative solution to improve the generalization of image restoration models. Drawing inspiration from recent advancements in Parameter Efficient Transfer Learning (PETL), we aim to tune only a small number of parameters to adapt pre-trained restoration models to various tasks. However, current PETL methods fail to generalize across varied restoration tasks due to their homogeneous representation nature. To this end, we propose AdaptIR, a Mixture-of-Experts (MoE) with orthogonal multi-branch design to capture local spatial, global spatial, and channel representation bases, followed by adaptive base combination to obtain heterogeneous representation for different degradations. Extensive experiments demonstrate that our AdaptIR achieves stable performance on single-degradation tasks, and excels in hybrid-degradation tasks, with training only 0.6% parameters for 8 hours.

Time-series anomaly detection is a fundamental task across scientific fields and industries. However, the field has long faced the ``elephant in the room:'' critical issues including flawed datasets, biased evaluation measures, and inconsistent benchmarking practices that have remained largely ignored and unaddressed. We introduce the TSB-AD to systematically tackle these issues in the following three aspects: (i) Dataset Integrity: with 1070 high-quality time series from a diverse collection of 40 datasets (doubling the size of the largest collection and four times the number of existing curated datasets), we provide the first large-scale, heterogeneous, meticulously curated dataset that combines the effort of human perception and model interpretation; (ii) Measure Reliability: by revealing issues and biases in evaluation measures, we identify the most reliable and accurate measure, namely, VUS-PR for anomaly detection in time series to address concerns from the community; and (iii) Comprehensive Benchmarking: with a broad spectrum of 40 detection algorithms, from statistical methods to the latest foundation models, we perform a comprehensive evaluation that includes a thorough hyperparameter tuning and a unified setup for a fair and reproducible comparison. Our findings challenge the conventional wisdom regarding the superiority of advanced neural network architectures, revealing that simpler architectures and statistical methods often yield better performance. The promising performance of neural networks on multivariate cases and foundation models on point anomalies highlights the need for further advancements in these methods. We open-source the benchmark at https://github.com/TheDatumOrg/TSB-AD to promote further research.

Recently, Model-based Reinforcement Learning (MBRL) methods have demonstrated stunning sample efficiency in various RL domains. However, achieving this extraordinary sample efficiency comes with additional training costs in terms of computations, memory, and training time. To address these challenges, we propose the **Pa**rallelized **Mo**del-based **R**einforcement **L**earning (**PaMoRL**) framework. PaMoRL introduces two novel techniques: the **P**arallel **W**orld **M**odel (**PWM**) and the **P**arallelized **E**ligibility **T**race **E**stimation (**PETE**) to parallelize both model learning and policy learning stages of current MBRL methods over the sequence length. Our PaMoRL framework is hardware-efficient and stable, and it can be applied to various tasks with discrete or continuous action spaces using a single set of hyperparameters. The empirical results demonstrate that the PWM and PETE within PaMoRL significantly increase training speed without sacrificing inference efficiency. In terms of sample efficiency, PaMoRL maintains an MBRL-level sample efficiency that outperforms other no-look-ahead MBRL methods and model-free RL methods, and it even exceeds the performance of planning-based MBRL methods and methods with larger networks in certain tasks.

The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the model class one optimizes over—and the more data one has access to—the more one can improve performance. As models get deployed in a variety of real-world scenarios, they inevitably face strategic environments. In this work, we consider the natural question of how the interplay of models and strategic interactions affects the relationship between performance at equilibrium and the expressivity of model classes. We find that strategic interactions can break the conventional view—meaning that performance does not necessarily monotonically improve as model classes get larger or more expressive (even with infinite data). We show the implications of this result in several contexts including strategic regression, strategic classification, and multi-agent reinforcement learning. In particular, we show that each of these settings admits a Braess' paradox-like phenomenon in which optimizing over less expressive model classes allows one to achieve strictly better equilibrium outcomes. Motivated by these examples, we then propose a new paradigm for model selection in games wherein an agent seeks to choose amongst different model classes to use as their action set in a game.

In this paper, we propose OpenSatMap, a fine-grained, high-resolution satellite dataset for large-scale map construction. Map construction is one of the foundations of the transportation industry, such as navigation and autonomous driving. Extracting road structures from satellite images is an efficient way to construct large-scale maps. However, existing satellite datasets provide only coarse semantic-level labels with a relatively low resolution (up to level 19), impeding the advancement of this field. In contrast, the proposed OpenSatMap (1) has fine-grained instance-level annotations; (2) consists of high-resolution images (level 20); (3) is currently the largest one of its kind; (4) collects data with high diversity. Moreover, OpenSatMap covers and aligns with the popular nuScenes dataset and Argoverse 2 dataset to potentially advance autonomous driving technologies. By publishing and maintaining the dataset, we provide a high-quality benchmark for satellite-based map construction and downstream tasks like autonomous driving.

Non-line-of-sight (NLOS) imaging allows for seeing hidden scenes around corners through active sensing. Most previous algorithms for NLOS reconstruction require dense transients acquired through regular scans over a large relay surface, which limits their applicability in realistic scenarios with irregular relay surfaces. In this paper, we propose an unsupervised learning-based framework for NLOS imaging from irregularly undersampled transients~(IUT). Our method learns implicit priors from noisy irregularly undersampled transients without requiring paired data, which is difficult and expensive to acquire and align. To overcome the ambiguity of the measurement consistency constraint in inferring the albedo volume, we design a virtual scanning process that enables the network to learn within both range and null spaces for high-quality reconstruction. We devise a physics-guided SURE-based denoiser to enhance robustness to ubiquitous noise in low-photon imaging conditions. Extensive experiments on both simulated and real-world data validate the performance and generalization of our method. Compared with the state-of-the-art (SOTA) method, our method achieves higher fidelity, greater robustness, and remarkably faster inference times by orders of magnitude. The code and model are available at https://github.com/XingyuCuii/Virtual-Scanning-NLOS.

Recent work on studying memorization in self-supervised learning (SSL) suggests that even though SSL encoders are trained on millions of images, they still memorize individual data points. While effort has been put into characterizing the memorized data and linking encoder memorization to downstream utility, little is known about where the memorization happens inside SSL encoders. To close this gap, we propose two metrics for localizing memorization in SSL encoders on a per-layer (LayerMem) and per-unit basis (UnitMem). Our localization methods are independent of the downstream task, do not require any label information, and can be performed in a forward pass. By localizing memorization in various encoder architectures (convolutional and transformer-based) trained on diverse datasets with contrastive and non-contrastive SSL frameworks, we find that (1) while SSL memorization increases with layer depth, highly memorizing units are distributed across the entire encoder, (2) a significant fraction of units in SSL encoders experiences surprisingly high memorization of individual data points, which is in contrast to models trained under supervision, (3) atypical (or outlier) data points cause much higher layer and unit memorization than standard data points, and (4) in vision transformers, most memorization happens in the fully-connected layers. Finally, we show that localizing memorization in SSL has the potential to improve fine-tuning and to inform pruning strategies.

Sparse ridge regression problems play a significant role across various domains. To solve sparse ridge regression, Liu et al. (2023) recently propose an advanced algorithm, Scalable Optimal $K$-Sparse Ridge Regression (OKRidge), which is both faster and more accurate than existing approaches. However, the absence of theoretical analysis on the error of OKRidge impedes its large-scale applications. In this paper, we reframe the estimation error of OKRidge as a Primary Optimization ($\textbf{PO}$) problem and employ the Convex Gaussian min-max theorem (CGMT) to simplify the $\textbf{PO}$ problem into an Auxiliary Optimization ($\textbf{AO}$) problem. Subsequently, we provide a theoretical error analysis for OKRidge based on the $\textbf{AO}$ problem. This error analysis improves the theoretical reliability of OKRidge. We also conduct experiments to verify our theorems and the results are in excellent agreement with our theoretical findings.

Detecting Human-Object Interactions (HOI) in zero-shot settings, where models must handle unseen classes, poses significant challenges. Existing methods that rely on aligning visual encoders with large Vision-Language Models (VLMs) to tap into the extensive knowledge of VLMs, require large, computationally expensive models and encounter training difficulties. Adapting VLMs with prompt learning offers an alternative to direct alignment. However, fine-tuning on task-specific datasets often leads to overfitting to seen classes and suboptimal performance on unseen classes, due to the absence of unseen class labels. To address these challenges, we introduce a novel prompt learning-based framework for Efficient Zero-Shot HOI detection (EZ-HOI). First, we introduce Large Language Model (LLM) and VLM guidance for learnable prompts, integrating detailed HOI descriptions and visual semantics to adapt VLMs to HOI tasks. However, because training datasets contain seen-class labels alone, fine-tuning VLMs on such datasets tends to optimize learnable prompts for seen classes instead of unseen ones. Therefore, we design prompt learning for unseen classes using information from related seen classes, with LLMs utilized to highlight the differences between unseen and related seen classes. Quantitative evaluations on benchmark datasets demonstrate that our EZ-HOI achieves state-of-the-art performance across various zero-shot settings with only 10.35\% to 33.95\% of the trainable parameters compared to existing methods. Code is available at https://github.com/ChelsieLei/EZ-HOI.

A crucial aspect of understanding the complex nature of Deep Neural Networks (DNNs) is the ability to explain learned concepts within their latent representations. While methods exist to connect neurons to human-understandable textual descriptions, evaluating the quality of these explanations is challenging due to the lack of a unified quantitative approach. We introduce CoSy (Concept Synthesis), a novel, architecture-agnostic framework for evaluating textual explanations of latent neurons. Given textual explanations, our proposed framework uses a generative model conditioned on textual input to create data points representing the explanations. By comparing the neuron's response to these generated data points and control data points, we can estimate the quality of the explanation. We validate our framework through sanity checks and benchmark various neuron description methods for Computer Vision tasks, revealing significant differences in quality.

When using large language models (LLMs) in high-stakes applications, we need to know when we can trust their predictions. Some works argue that prompting high-performance LLMs is sufficient to produce calibrated uncertainties, while others introduce sampling methods that can be prohibitively expensive. In this work, we first argue that prompting on its own is insufficient to achieve good calibration and then show that fine-tuning on a small dataset of correct and incorrect answers can create an uncertainty estimate with good generalization and small computational overhead. We show that a thousand graded examples are sufficient to outperform baseline methods and that training through the features of a model is necessary for good performance and tractable for large open-source models when using LoRA. We also investigate the mechanisms that enable reliable LLM uncertainty estimation, finding that many models can be used as general-purpose uncertainty estimators, applicable not just to their own uncertainties but also the uncertainty of other models. Lastly, we show that uncertainty estimates inform human use of LLMs in human-AI collaborative settings through a user study.

The information processing in the brain and embodied agents form a sensory-action loop to interact with the world. An important step in the loop is motion planning which selects motor actions based on the current world state and task need. In goal-directed navigation, the brain chooses and generates motor actions to bring the current state into the goal state. It is unclear about the neural circuit mechanism of motor action selection, nor its underlying theory. The present study formulates the motion planning as a Lie group operator search problem, and uses the 1D rotation group as an example to provide insight into general operator search in neural circuits. We found the abstract group operator search can be implemented by a two-layer feedforward circuit utilizing circuit motifs of connection phase shift, nonlinear activation function, and pooling, similar to Drosophila's goal-directed navigation neural circuits. And the computational complexity of the feedforward circuit can be even lower than common signal processing algorithms in certain conditions. We also provide geometric interpretations of circuit computation in the group representation space. The feedforward motion planning circuit is further combined with sensory and motor circuit modules into a full circuit of the sensory-action loop implementing goal-directed navigation. Our work for the first time links the abstract operator search with biological neural circuits.