NeurIPS 2024 Papers

Auto-labeling is an important family of techniques that produce labeled training sets with minimum manual annotation. A prominent variant, threshold-based auto-labeling (TBAL), works by finding thresholds on a model's confidence scores above which it can accurately automatically label unlabeled data. However, many models are known to produce overconfident scores, leading to poor TBAL performance. While a natural idea is to apply off-the-shelf calibration methods to alleviate the overconfidence issue, we show that such methods fall short. Rather than experimenting with ad-hoc choices of confidence functions, we propose a framework for studying the optimal TBAL confidence function. We develop a tractable version of the framework to obtain Colander (Confidence functions for Efficient and Reliable Auto-labeling), a new post-hoc method specifically designed to maximize performance in TBAL systems. We perform an extensive empirical evaluation of Colander and compare it against methods designed for calibration. Colander achieves up to 60% improvement on coverage over the baselines while maintaining error level below 5% and using the same amount of labeled data.

Large Language Models (LLMs) have demonstrated impressive performance on multimodal tasks, without any multimodal finetuning. They are the de facto building block for Large Multimodal Models (LMMs), yet, we still lack a proper understanding of their success. In this work, we expose frozen LLMs to image, video, audio and text inputs and analyse their internal representation with the attempt to understand their generalization beyond textual inputs. Our work provides the following **findings.** Perceptual tokens (1) are easily distinguishable from textual ones inside LLMs, with significantly different representations (e.g. live in different narrow cones), and complete translation to textual tokens does not exists. Yet, (2) both perceptual and textual tokens activate similar LLM weights. Despite their differences, (3) perceptual tokens are implicitly aligned to textual tokens inside LLMs, we call this the implicit multimodal alignment effect (IMA), and argue that this is linked to architectural design, helping LLMs to generalize. This provide more evidence to believe that the generalization of LLMs to multimodal inputs is mainly due to their architecture. These findings lead to several **implications.** This work provides several implications. (1) We find a positive correlation between the implicit alignment score and the task performance, suggesting that this could act as a proxy metric for model evaluation and selection. (2) A negative correlation exists regarding hallucinations (e.g. describing non-existing objects in images), revealing that this problem is mainly due to misalignment between the internal perceptual and textual representations. (3) Perceptual tokens change slightly throughout the model, thus, we propose different approaches to skip computations (e.g. in FFN layers), and significantly reduce the inference cost. (4) Due to the slowly changing embeddings across layers, and the high overlap between textual and multimodal activated weights, we compress LLMs by keeping only 1 subnetwork (called alpha-SubNet) that works well across a wide range of multimodal tasks. The code is available here: https://github.com/mshukor/ima-lmms.

Autonomous driving demands an integrated approach that encompasses perception, prediction, and planning, all while operating under strict energy constraints to enhance scalability and environmental sustainability. We present Spiking Autonomous Driving (SAD), the first unified Spiking Neural Network (SNN) to address the energy challenges faced by autonomous driving systems through its event-driven and energy-efficient nature. SAD is trained end-to-end and consists of three main modules: perception, which processes inputs from multi-view cameras to construct a spatiotemporal bird's eye view; prediction, which utilizes a novel dual-pathway with spiking neurons to forecast future states; and planning, which generates safe trajectories considering predicted occupancy, traffic rules, and ride comfort. Evaluated on the nuScenes dataset, SAD achieves competitive performance in perception, prediction, and planning tasks, while drawing upon the energy efficiency of SNNs. This work highlights the potential of neuromorphic computing to be applied to energy-efficient autonomous driving, a critical step toward sustainable and safety-critical automotive technology. Our code is available at [https://github.com/ridgerchu/SAD](https://github.com/ridgerchu/SAD).

Large-scale generative models have shown impressive image-generation capabilities, propelled by massive data. However, this often inadvertently leads to the generation of harmful or inappropriate content and raises copyright concerns. Driven by these concerns, machine unlearning has become crucial to effectively purge undesirable knowledge from models. While existing literature has studied various unlearning techniques, these often suffer from either poor unlearning quality or degradation in text-image alignment after unlearning, due to the competitive nature of these objectives. To address these challenges, we propose a framework that seeks an optimal model update at each unlearning iteration, ensuring monotonic improvement on both objectives. We further derive the characterization of such an update. In addition, we design procedures to strategically diversify the unlearning and remaining datasets to boost performance improvement. Our evaluation demonstrates that our method effectively removes target classes from recent diffusion-based generative models and concepts from stable diffusion models while maintaining close alignment with the models' original trained states, thus outperforming state-of-the-art baselines.

Unsupervised 3D object detection methods have emerged to leverage vast amounts of data without requiring manual labels for training. Recent approaches rely on dynamic objects for learning to detect mobile objects but penalize the detections of static instances during training. Multiple rounds of (self) training are used to add detected static instances to the set of training targets; this procedure to improve performance is computationally expensive. To address this, we propose the method UNION. We use spatial clustering and self-supervised scene flow to obtain a set of static and dynamic object proposals from LiDAR. Subsequently, object proposals' visual appearances are encoded to distinguish static objects in the foreground and background by selecting static instances that are visually similar to dynamic objects. As a result, static and dynamic mobile objects are obtained together, and existing detectors can be trained with a single training. In addition, we extend 3D object discovery to detection by using object appearance-based cluster labels as pseudo-class labels for training object classification. We conduct extensive experiments on the nuScenes dataset and increase the state-of-the-art performance for unsupervised 3D object discovery, i.e. UNION more than doubles the average precision to 38.4. The code is available at github.com/TedLentsch/UNION.

We study how information propagates in decoder-only Transformers, which are the architectural foundation of most existing frontier large language models (LLMs). We rely on a theoretical signal propagation analysis---specifically, we analyse the representations of the last token in the final layer of the Transformer, as this is the representation used for next-token prediction. Our analysis reveals a representational collapse phenomenon: we prove that certain distinct pairs of inputs to the Transformer can yield arbitrarily close representations in the final token. This effect is exacerbated by the low-precision floating-point formats frequently used in modern LLMs. As a result, the model is provably unable to respond to these sequences in different ways---leading to errors in, e.g., tasks involving counting or copying. Further, we show that decoder-only Transformer language models can lose sensitivity to specific tokens in the input, which relates to the well-known phenomenon of over-squashing in graph neural networks. We provide empirical evidence supporting our claims on contemporary LLMs. Our theory points to simple solutions towards ameliorating these issues.

Grid cells in the mammalian brain are fundamental to spatial navigation, and therefore crucial to how animals perceive and interact with their environment. Traditionally, grid cells are thought support path integration through highly symmetric hexagonal lattice firing patterns. However, recent findings show that their firing patterns become distorted in the presence of significant spatial landmarks such as rewarded locations. This introduces a novel perspective of dynamic, subjective, and action-relevant interactions between spatial representations and environmental cues. Here, we propose a practical and theoretical framework to quantify and explain these interactions. To this end, we train path-integrating recurrent neural networks (piRNNs) on a spatial navigation task, whose goal is to predict the agent's position with a special focus on rewarded locations. Grid-like neurons naturally emerge from the training of piRNNs, which allows us to investigate how the two aspects of the task, space and reward, are integrated in their firing patterns. We find that geometry, but not topology, of the grid cell population code becomes distorted. Surprisingly, these distortions are global in the firing patterns of the grid cells despite local changes in the reward. Our results indicate that after training with location-specific reward information, the preserved representational topology supports successful path integration, whereas the emergent heterogeneity in individual responses due to global distortions may encode dynamically changing environmental cues. By bridging the gap between computational models and the biological reality of spatial navigation under reward information, we offer new insights into how neural systems prioritize environmental landmarks in their spatial navigation code.

With the continuous advancement of large language models (LLMs), it is essential to create new benchmarks to evaluate their expanding capabilities and identify areas for improvement. This work focuses on multi-image reasoning, an emerging capability in state-of-the-art LLMs. We introduce ReMI, a dataset designed to assess LLMs' ability to reason with multiple images. This dataset encompasses a diverse range of tasks, spanning various reasoning domains such as math, physics, logic, code, table/chart understanding, and spatial and temporal reasoning. It also covers a broad spectrum of characteristics found in multi-image reasoning scenarios. We have benchmarked several cutting-edge LLMs using ReMI and found a substantial gap between their performance and human-level proficiency. This highlights the challenges in multi-image reasoning and the need for further research. Our analysis also reveals the strengths and weaknesses of different models, shedding light on the types of reasoning that are currently attainable and areas where future models require improvement. We anticipate that ReMI will be a valuable resource for developing and evaluating more sophisticated LLMs capable of handling real-world multi-image understanding tasks.

In recent years, the merging of vast datasets with powerful computational resources has led to the emergence of large pre-trained models in the field of deep learning. However, the common practices often overgeneralize the applicability of these models, overlooking the task-specific resource constraints. To mitigate this issue, we propose \textbf{Cluster-Learngene}, which effectively clusters critical internal modules from a large ancestry model and then inherits them to initialize descendant models of elastic scales. Specifically, based on the density characteristics of attention heads, our method adaptively clusters attention heads of each layer and position-wise feed-forward networks (FFNs) in the ancestry model as the learngene. Moreover, we introduce priority weight-sharing and learnable parameter transformations that expand the learngene to initialize descendant models of elastic scales. Through extensive experimentation, we demonstrate that Cluster-Learngene not only is more efficient compared to other initialization methods but also customizes models of elastic scales according to downstream task resources.

Consider the domain of multiclass classification within the adversarial online setting. What is the price of relying on bandit feedback as opposed to full information? To what extent can an adaptive adversary amplify the loss compared to an oblivious one? To what extent can a randomized learner reduce the loss compared to a deterministic one? We study these questions in the mistake bound model and provide nearly tight answers. We demonstrate that the optimal mistake bound under bandit feedback is at most $O(k)$ times higher than the optimal mistake bound in the full information case, where $k$ represents the number of labels. This bound is tight and provides an answer to an open question previously posed and studied by Daniely and Helbertal ['13] and by Long ['17, '20], who focused on deterministic learners. Moreover, we present nearly optimal bounds of $\tilde{\Theta}(k)$ on the gap between randomized and deterministic learners, as well as between adaptive and oblivious adversaries in the bandit feedback setting. This stands in contrast to the full information scenario, where adaptive and oblivious adversaries are equivalent, and the gap in mistake bounds between randomized and deterministic learners is a constant multiplicative factor of $2$. In addition, our results imply that in some cases the optimal randomized mistake bound is approximately the square-root of its deterministic parallel. Previous results show that this is essentially the smallest it can get. Some of our results are proved via a reduction to prediction with expert advice under bandit feedback, a problem interesting on its own right. For this problem, we provide a randomized algorithm which is nearly optimal in some scenarios.

Do neural networks learn to implement algorithms such as look-ahead or search "in the wild"? Or do they rely purely on collections of simple heuristics? We present evidence of *learned look-ahead* in the policy and value network of Leela Chess Zero, the currently strongest deep neural chess engine. We find that Leela internally represents future optimal moves and that these representations are crucial for its final output in certain board states. Concretely, we exploit the fact that Leela is a transformer that treats every chessboard square like a token in language models, and give three lines of evidence: (1) activations on certain squares of future moves are unusually important causally; (2) we find attention heads that move important information "forward and backward in time," e.g., from squares of future moves to squares of earlier ones; and (3) we train a simple probe that can predict the optimal move 2 turns ahead with 92% accuracy (in board states where Leela finds a single best line). These findings are clear evidence of learned look-ahead in neural networks and might be a step towards a better understanding of their capabilities.

Spatio-temporal compression of videos, utilizing networks such as Variational Autoencoders (VAE), plays a crucial role in OpenAI's SORA and numerous other video generative models. For instance, many LLM-like video models learn the distribution of discrete tokens derived from 3D VAEs within the VQVAE framework, while most diffusion-based video models capture the distribution of continuous latent extracted by 2D VAEs without quantization. The temporal compression is simply realized by uniform frame sampling which results in unsmooth motion between consecutive frames. Currently, there lacks of a commonly used continuous video (3D) VAE for latent diffusion-based video models in the research community. Moreover, since current diffusion-based approaches are often implemented using pre-trained text-to-image (T2I) models, directly training a video VAE without considering the compatibility with existing T2I models will result in a latent space gap between them, which will take huge computational resources for training to bridge the gap even with the T2I models as initialization. To address this issue, we propose a method for training a video VAE of latent video models, namely CV-VAE, whose latent space is compatible with that of a given image VAE, e.g., image VAE of Stable Diffusion (SD). The compatibility is achieved by the proposed novel latent space regularization, which involves formulating a regularization loss using the image VAE. Benefiting from the latent space compatibility, video models can be trained seamlessly from pre-trained T2I or video models in a truly spatio-temporally compressed latent space, rather than simply sampling video frames at equal intervals. To improve the training efficiency, we also design a novel architecture for the video VAE. With our CV-VAE, existing video models can generate four times more frames with minimal finetuning. Extensive experiments are conducted to demonstrate the effectiveness of the proposed video VAE.

In variational inference (VI), an approximation of the posterior distribution is selected from a family of distributions through numerical optimization. With the most common variational objective function, known as the evidence lower bound (ELBO), only convergence to a *local* optimum can be guaranteed. In this work, we instead establish the *global* convergence of a particular VI method. This VI method, which may be considered an instance of neural posterior estimation (NPE), minimizes an expectation of the inclusive (forward) KL divergence to fit a variational distribution that is parameterized by a neural network. Our convergence result relies on the neural tangent kernel (NTK) to characterize the gradient dynamics that arise from considering the variational objective in function space. In the asymptotic regime of a fixed, positive-definite neural tangent kernel, we establish conditions under which the variational objective admits a unique solution in a reproducing kernel Hilbert space (RKHS). Then, we show that the gradient descent dynamics in function space converge to this unique function. In ablation studies and practical problems, we demonstrate that our results explain the behavior of NPE in non-asymptotic finite-neuron settings, and show that NPE outperforms ELBO-based optimization, which often converges to shallow local optima.

The task of distinguishing individuals of interest from a vast pool of candidates using predictive models has garnered significant attention in recent years. This task can be framed as a *conformalized multiple testing* procedure, which aims at quantifying prediction uncertainty by controlling the false discovery rate (FDR) via conformal inference. In this paper, we tackle the challenge of conformalized multiple testing after data-dependent selection procedures. To guarantee the construction of valid test statistics that accurately capture the distorted distribution resulting from the selection process, we leverage a holdout labeled set to closely emulate the selective distribution. Our approach involves adaptively picking labeled data to create a calibration set based on the stability of the selection rule. This strategy ensures that the calibration data and the selected test unit are exchangeable, allowing us to develop valid conformal p-values. Implementing with the famous Benjamini-Hochberg (BH) procedure, it effectively controls the FDR over the selected subset. To handle the randomness of the selected subset and the dependence among the constructed p-values, we establish a unified theoretical framework. This framework extends the application of conformalized multiple testing to complex selective settings. Furthermore, we conduct numerical studies to showcase the effectiveness and validity of our procedures across various scenarios.