NeurIPS 2024 Papers

The effect of regularizers such as weight decay when training deep neural networks is not well understood. We study the influence of weight decay as well as $L2$-regularization when training neural network models in which parameter matrices interact multiplicatively. This combination is of particular interest as this parametrization is common in attention layers, the workhorse of transformers. Here, key-query, as well as value-projection parameter matrices, are multiplied directly with each other: $W_K^TW_Q$ and $PW_V$. We extend previous results and show on one hand that any local minimum of a $L2$-regularized loss of the form $L(AB^\top) + \lambda (\|A\|^2 + \|B\|^2)$ coincides with a minimum of the nuclear norm-regularized loss $L(AB^\top) + \lambda\|AB^\top\|_*$, and on the other hand that the 2 losses become identical exponentially quickly during training. We thus complement existing works linking $L2$-regularization with low-rank regularization, and in particular, explain why such regularization on the matrix product affects early stages of training. Based on these theoretical insights, we verify empirically that the key-query and value-projection matrix products $W_K^TW_Q, PW_V$ within attention layers, when optimized with weight decay, as usually done in vision tasks and language modelling, indeed induce a significant reduction in the rank of $W_K^TW_Q$ and $PW_V$, even in fully online training. We find that, in accordance with existing work, inducing low rank in attention matrix products can damage language model performance, and observe advantages when decoupling weight decay in attention layers from the rest of the parameters.

We explore the potential of self-play training for large language models (LLMs) in a two-player adversarial language game called Adversarial Taboo. In this game, an attacker and a defender communicate around a target word only visible to the attacker. The attacker aims to induce the defender to speak the target word unconsciously, while the defender tries to infer the target word from the attacker's utterances. To win the game, both players must have sufficient knowledge about the target word and high-level reasoning ability to infer and express in this information-reserved conversation. Hence, we are curious about whether LLMs' reasoning ability can be further enhanced by Self-Playing this Adversarial language Game (SPAG). With this goal, we select several open-source LLMs and let each act as the attacker and play with a copy of itself as the defender on an extensive range of target words. Through reinforcement learning on the game outcomes, we observe that the LLMs' performances uniformly improve on a broad range of reasoning benchmarks. Furthermore, iteratively adopting this self-play process can continuously promote LLMs' reasoning abilities. The code is available at https://github.com/Linear95/SPAG.

Automatically generating novel and interesting games is a complex task. Challenges include representing game rules in a computationally workable form, searching through the large space of potential games under most such representations, and accurately evaluating the originality and quality of previously unseen games. Prior work in automated game generation has largely focused on relatively restricted rule representations and relied on domain-specific heuristics. In this work, we explore the generation of novel games in the comparatively expansive Ludii game description language, which encodes the rules of over 1000 board games in a variety of styles and modes of play. We draw inspiration from recent advances in large language models and evolutionary computation in order to train a model that intelligently mutates and recombines games and mechanics expressed as code. We demonstrate both quantitatively and qualitatively that our approach is capable of generating new and interesting games, including in regions of the potential rules space not covered by existing games in the Ludii dataset.

Diffusion models have obtained substantial progress in image-to-video generation. However, in this paper, we find that these models tend to generate videos with less motion than expected. We attribute this to the issue called conditional image leakage, where the image-to-video diffusion models (I2V-DMs) tend to over-rely on the conditional image at large time steps. We further address this challenge from both inference and training aspects. First, we propose to start the generation process from an earlier time step to avoid the unreliable large-time steps of I2V-DMs, as well as an initial noise distribution with optimal analytic expressions (Analytic-Init) by minimizing the KL divergence between it and the actual marginal distribution to bridge the training-inference gap. Second, we design a time-dependent noise distribution (TimeNoise) for the conditional image during training, applying higher noise levels at larger time steps to disrupt it and reduce the model's dependency on it. We validate these general strategies on various I2V-DMs on our collected open-domain image benchmark and the UCF101 dataset. Extensive results show that our methods outperform baselines by producing higher motion scores with lower errors while maintaining image alignment and temporal consistency, thereby yielding superior overall performance and enabling more accurate motion control. The project page: \url{https://cond-image-leak.github.io/}.

Cross-domain few-shot learning (CDFSL) is proposed to transfer knowledge from large-scale source-domain datasets to downstream target-domain datasets with only a few training samples. However, Vision Transformer (ViT), as a strong backbone network to achieve many top performances, is still under-explored in the CDFSL task in its transferability against large domain gaps. In this paper, we find an interesting phenomenon of ViT in the CDFSL task: by simply multiplying a temperature (even as small as 0) to the attention in ViT blocks, the target-domain performance consistently increases, even though the attention map is downgraded to a uniform map. In this paper, we delve into this phenomenon for an interpretation. Through experiments, we interpret this phenomenon as a remedy for the ineffective target-domain attention caused by the query-key attention mechanism under large domain gaps. Based on it, we further propose a simple but effective method for the CDFSL task to boost ViT's transferability by resisting the learning of query-key parameters and encouraging that of non-query-key ones. Experiments on four CDFSL datasets validate the rationale of our interpretation and method, showing we can consistently outperform state-of-the-art methods. Our codes are available at https://github.com/Zoilsen/Attn_Temp_CDFSL.

Iteratively improving and repairing source code with large language models (LLMs), known as refinement, has emerged as a popular way of generating programs that would be too complex to construct in one shot. Given a bank of test cases, together with a candidate program, an LLM can improve that program by being prompted with failed test cases. But it remains an open question how to best iteratively refine code, with prior work employing simple greedy or breadth-first strategies. We show here that refinement exposes an explore-exploit tradeoff: exploit by refining the program that passes the most test cases, or explore by refining a lesser considered program. We frame this as an arm-acquiring bandit problem, which we solve with Thompson Sampling. The resulting LLM-based program synthesis algorithm is broadly applicable: Across loop invariant synthesis, visual reasoning puzzles, and competition programming problems, we find that our new method can solve more problems using fewer language model calls.

High-resolution images offer more information about scenes that can improve model accuracy. However, the dominant model architecture in computer vision, the vision transformer (ViT), cannot effectively leverage larger images without finetuning — ViTs poorly extrapolate to more patches at test time, although transformers offer sequence length flexibility. We attribute this shortcoming to the current patch position encoding methods, which create a distribution shift when extrapolating. We propose a drop-in replacement for the position encoding of plain ViTs that restricts attention heads to fixed fields of view, pointed in different directions, using 2D attention masks. Our novel method, called LookHere, provides translation-equivariance, ensures attention head diversity, and limits the distribution shift that attention heads face when extrapolating. We demonstrate that LookHere improves performance on classification (avg. 1.6%), against adversarial attack (avg. 5.4%), and decreases calibration error (avg. 1.5%) — on ImageNet without extrapolation. With extrapolation, LookHere outperforms the current SoTA position encoding method, 2D-RoPE, by 21.7% on ImageNet when trained at $224^2$ px and tested at $1024^2$ px. Additionally, we release a high-resolution test set to improve the evaluation of high-resolution image classifiers, called ImageNet-HR.

This work considers the problem of sampling from a probability distribution known up to a normalization constant while satisfying a set of statistical constraints specified by the expected values of general nonlinear functions. This problem finds applications in, e.g., Bayesian inference, where it can constrain moments to evaluate counterfactual scenarios or enforce desiderata such as prediction fairness. Methods developed to handle support constraints, such as those based on mirror maps, barriers, and penalties, are not suited for this task. This work therefore relies on gradient descent-ascent dynamics in Wasserstein space to put forward a discrete-time primal-dual Langevin Monte Carlo algorithm (PD-LMC) that simultaneously constrains the target distribution and samples from it. We analyze the convergence of PD-LMC under standard assumptions on the target distribution and constraints, namely (strong) convexity and log-Sobolev inequalities. To do so, we bring classical optimization arguments for saddle-point algorithms to the geometry of Wasserstein space. We illustrate the relevance and effectiveness of PD-LMC in several applications.

We define maximum entropy goal-directedness (MEG), a formal measure of goal- directedness in causal models and Markov decision processes, and give algorithms for computing it. Measuring goal-directedness is important, as it is a critical element of many concerns about harm from AI. It is also of philosophical interest, as goal-directedness is a key aspect of agency. MEG is based on an adaptation of the maximum causal entropy framework used in inverse reinforcement learning. It can measure goal-directedness with respect to a known utility function, a hypothesis class of utility functions, or a set of random variables. We prove that MEG satisfies several desiderata and demonstrate our algorithms with small-scale experiments.

Partial observability of the underlying states generally presents significant challenges for reinforcement learning (RL). In practice, certain *privileged information* , e.g., the access to states from simulators, has been exploited in training and achieved prominent empirical successes. To better understand the benefits of privileged information, we revisit and examine several simple and practically used paradigms in this setting, with both computation and sample efficiency analyses. Specifically, we first formalize the empirical paradigm of *expert distillation* (also known as *teacher-student* learning), demonstrating its pitfall in finding near-optimal policies. We then identify a condition of the partially observable environment, the deterministic filter condition, under which expert distillation achieves sample and computational complexities that are *both* polynomial. Furthermore, we investigate another successful empirical paradigm of *asymmetric actor-critic*, and focus on the more challenging setting of observable partially observable Markov decision processes. We develop a belief-weighted optimistic asymmetric actor-critic algorithm with polynomial sample and quasi-polynomial computational complexities, where one key component is a new provable oracle for learning belief states that preserve *filter stability* under a misspecified model, which may be of independent interest. Finally, we also investigate the provable efficiency of partially observable multi-agent RL (MARL) with privileged information. We develop algorithms with the feature of centralized-training-with-decentralized-execution, a popular framework in empirical MARL, with polynomial sample and (quasi-)polynomial computational complexity in both paradigms above. Compared with a few recent related theoretical studies, our focus is on understanding practically inspired algorithmic paradigms, without computationally intractable oracles.

While imitation learning requires access to high-quality data, offline reinforcement learning (RL) should, in principle, perform similarly or better with substantially lower data quality by using a value function. However, current results indicate that offline RL often performs worse than imitation learning, and it is often unclear what holds back the performance of offline RL. Motivated by this observation, we aim to understand the bottlenecks in current offline RL algorithms. While poor performance of offline RL is typically attributed to an imperfect value function, we ask: *is the main bottleneck of offline RL indeed in learning the value function, or something else?* To answer this question, we perform a systematic empirical study of (1) value learning, (2) policy extraction, and (3) policy generalization in offline RL problems, analyzing how these components affect performance. We make two surprising observations. First, we find that the choice of a policy extraction algorithm significantly affects the performance and scalability of offline RL, often more so than the value learning objective. For instance, we show that common value-weighted behavioral cloning objectives (e.g., AWR) do not fully leverage the learned value function, and switching to behavior-constrained policy gradient objectives (e.g., DDPG+BC) often leads to substantial improvements in performance and scalability. Second, we find that a big barrier to improving offline RL performance is often imperfect policy generalization on test-time states out of the support of the training data, rather than policy learning on in-distribution states. We then show that the use of suboptimal but high-coverage data or test-time policy training techniques can address this generalization issue in practice. Specifically, we propose two simple test-time policy improvement methods and show that these methods lead to better performance.

Graph Neural Networks (GNNs) have demonstrated remarkable performance across a spectrum of graph-related tasks, however concerns persist regarding their vulnerability to adversarial perturbations. While prevailing defense strategies focus primarily on pre-processing techniques and adaptive message-passing schemes, this study delves into an under-explored dimension: the impact of weight initialization and associated hyper-parameters, such as training epochs, on a model’s robustness. We introduce a theoretical framework bridging the connection between initialization strategies and a network's resilience to adversarial perturbations. Our analysis reveals a direct relationship between initial weights, number of training epochs and the model’s vulnerability, offering new insights into adversarial robustness beyond conventional defense mechanisms. While our primary focus is on GNNs, we extend our theoretical framework, providing a general upper-bound applicable to Deep Neural Networks. Extensive experiments, spanning diverse models and real-world datasets subjected to various adversarial attacks, validate our findings. We illustrate that selecting appropriate initialization not only ensures performance on clean datasets but also enhances model robustness against adversarial perturbations, with observed gaps of up to 50\% compared to alternative initialization approaches.

With the rapid development of deep learning, the increasing complexity and scale of parameters make training a new model increasingly resource-intensive. In this paper, we start from the classic convolutional neural network (CNN) and explore a paradigm that does not require training to obtain new models. Similar to the birth of CNN inspired by receptive fields in the biological visual system, we draw inspiration from the information subsystem pathways in the biological visual system and propose Model Disassembling and Assembling (MDA). During model disassembling, we introduce the concept of relative contribution and propose a component locating technique to extract task-aware components from trained CNN classifiers. For model assembling, we present the alignment padding strategy and parameter scaling strategy to construct a new model tailored for a specific task, utilizing the disassembled task-aware components. The entire process is akin to playing with LEGO bricks, enabling arbitrary assembly of new models, and providing a novel perspective for model creation and reuse. Extensive experiments showcase that task-aware components disassembled from CNN classifiers or new models assembled using these components closely match or even surpass the performance of the baseline, demonstrating its promising results for model reuse. Furthermore, MDA exhibits diverse potential applications, with comprehensive experiments exploring model decision route analysis, model compression, knowledge distillation, and more.

Localized receptive fields—neurons that are selective for certain contiguous spatiotemporal features of their input—populate early sensory regions of the mammalian brain. Unsupervised learning algorithms that optimize explicit sparsity or independence criteria replicate features of these localized receptive fields, but fail to explain directly how localization arises through learning without efficient coding, as occurs in early layers of deep neural networks and might occur in early sensory regions of biological systems. We consider an alternative model in which localized receptive fields emerge without explicit top-down efficiency constraints—a feed-forward neural network trained on a data model inspired by the structure of natural images. Previous work identified the importance of non-Gaussian statistics to localization in this setting but left open questions about the mechanisms driving dynamical emergence. We address these questions by deriving the effective learning dynamics for a single nonlinear neuron, making precise how higher-order statistical properties of the input data drive emergent localization, and we demonstrate that the predictions of these effective dynamics extend to the many-neuron setting. Our analysis provides an alternative explanation for the ubiquity of localization as resulting from the nonlinear dynamics of learning in neural circuits

Determining the 3D orientations of an object in an image, known as single-image pose estimation, is a crucial task in 3D vision applications. Existing methods typically learn 3D rotations parametrized in the spatial domain using Euler angles or quaternions, but these representations often introduce discontinuities and singularities. SO(3)-equivariant networks enable the structured capture of pose patterns with data-efficient learning, but the parametrizations in spatial domain are incompatible with their architecture, particularly spherical CNNs, which operate in the frequency domain to enhance computational efficiency. To overcome these issues, we propose a frequency-domain approach that directly predicts Wigner-D coefficients for 3D rotation regression, aligning with the operations of spherical CNNs. Our SO(3)-equivariant pose harmonics predictor overcomes the limitations of spatial parameterizations, ensuring consistent pose estimation under arbitrary rotations. Trained with a frequency-domain regression loss, our method achieves state-of-the-art results on benchmarks such as ModelNet10-SO(3) and PASCAL3D+, with significant improvements in accuracy, robustness, and data efficiency.

Fine-tuning pre-trained models is a popular approach in machine learning for solving complex tasks with moderate data. However, fine-tuning the entire pre-trained model is ineffective in federated data scenarios where local data distributions are diversely skewed. To address this, we explore integrating federated learning with a more effective prompt-tuning method, optimizing for a small set of input prefixes to reprogram the pre-trained model's behavior. Our approach transforms federated learning into a distributed set modeling task, aggregating diverse sets of prompts to globally fine-tune the pre-trained model. We benchmark various baselines based on direct adaptations of existing federated model aggregation techniques and introduce a new probabilistic prompt aggregation method that substantially outperforms these baselines. Our reported results on a variety of computer vision datasets confirm that the proposed method is most effective to combat extreme data heterogeneity in federated learning.

Intrinsic dynamics within the brain can accelerate learning by providing a prior scaffolding for dynamics aligned with task objectives. Such intrinsic dynamics would ideally self-organize and self-sustain in the face of biological noise including synaptic turnover and cell death. An example of such dynamics is the formation of sequences, a ubiquitous motif in neural activity. The sequence-generating circuit in zebra finch HVC provides a reliable timing scaffold for motor output in song and demonstrates a remarkable capacity for unsupervised recovery following perturbation. Inspired by HVC, we seek a local plasticity rule capable of organizing and maintaining sequence-generating dynamics despite continual network perturbations. We adopt a meta-learning approach introduced by Confavreux et al, which parameterizes a learning rule using basis functions constructed from pre- and postsynaptic activity and synapse size, with tunable time constants. Candidate rules are simulated within initially random networks, and their fitness is evaluated according to a loss function that measures the fidelity with which the resulting dynamics encode time. We use this approach to introduce biological noise, forcing meta-learning to find robust solutions. We first show that, in the absence of perturbations, meta-learning identifies a temporally asymmetric generalization of Oja's rule that reliably organizes sparse sequential activity. When synaptic turnover is introduced, the learned rule incorporates a form of homeostasis, better maintaining robust sequential dynamics relative to other previously proposed rules. Additionally, inspired by recent findings demonstrating that the strength of projections from inhibitory interneurons in HVC also dynamically responds to perturbations, we explore the role of inhibitory plasticity in sequence-generating circuits. We find that learned plasticity adjusts both excitation and inhibition in response to manipulations, outperforming rules applied only to excitatory connections. We demonstrate how plasticity acting on both excitatory and inhibitory synapses can better shape excitatory cell dynamics to scaffold timing representations.

Large Language Models (LLMs) have transformed natural language processing and extended their powerful capabilities to multi-modal domains. As LLMs continue to advance, it is crucial to develop diverse and appropriate metrics for their evaluation. In this paper, we introduce a novel rank-based metric, Diff-eRank, grounded in information theory and geometry principles. Diff-eRank assesses LLMs by analyzing their hidden representations, providing a quantitative measure of how efficiently they eliminate redundant information during training. We demonstrate the applicability of Diff-eRank in both single-modal (e.g., language) and multi-modal settings. For language models, our results show that Diff-eRank increases with model size and correlates well with conventional metrics such as loss and accuracy. In the multi-modal context, we propose an alignment evaluation method based on the eRank, and verify that contemporary multi-modal LLMs exhibit strong alignment performance based on our method. Our code is publicly available at https://github.com/waltonfuture/Diff-eRank.

We present VisionLLM v2, an end-to-end generalist multimodal large model (MLLM) that unifies visual perception, understanding, and generation within a single framework. Unlike traditional MLLMs limited to text output, VisionLLM v2 significantly broadens its application scope. It excels not only in conventional visual question answering (VQA) but also in open-ended, cross-domain vision tasks such as object localization, pose estimation, and image generation and editing. To this end, we propose a new information transmission mechanism termed ``super link'', as a medium to connect MLLM with task-specific decoders. It not only allows flexible transmission of task information and gradient feedback between the MLLM and multiple downstream decoders but also effectively resolves training conflicts in multi-tasking scenarios. In addition, to support the diverse range of tasks, we carefully collected and combed training data from hundreds of public vision and vision-language tasks. In this way, our model can be joint-trained end-to-end on hundreds of vision language tasks and generalize to these tasks using a set of shared parameters through different user prompts, achieving performance comparable to task-specific models. We believe VisionLLM v2 will offer a new perspective on the generalization of MLLMs.