NeurIPS 2024 论文列表

The recently-proposed framework of Predict+Optimize tackles optimization problems with parameters that are unknown at solving time, in a supervised learning setting. Prior frameworks consider only the scenario where all unknown parameters are (eventually) revealed simultaneously. In this work, we propose Multi-Stage Predict+Optimize, a novel extension catering to applications where unknown parameters are revealed in sequential stages, with optimization decisions made in between. We further develop three training algorithms for neural networks (NNs) for our framework as proof of concept, both of which handle all mixed integer linear programs. The first baseline algorithm is a natural extension of prior work, training a single NN which makes a single prediction of unknown parameters. The second and third algorithms instead leverage the possibility of updating parameter predictions between stages, and trains one NN per stage. To handle the interdependency between the neural networks, we adopt sequential and parallelized versions of coordinate descent for training. Experimentation on three benchmarks demonstrates the superior learning performance of our methods over classical approaches.

Backdoor attacks aim to inject a backdoor into a classifier such that it predicts any input with an attacker-chosen backdoor trigger as an attacker-chosen target class. Existing backdoor attacks require either retraining the classifier with some clean data or modifying the model's architecture. As a result, they are 1) not applicable when clean data is unavailable, 2) less efficient when the model is large, and 3) less stealthy due to architecture changes. In this work, we propose DFBA, a novel retraining-free and data-free backdoor attack without changing the model architecture. Technically, our proposed method modifies a few parameters of a classifier to inject a backdoor. Through theoretical analysis, we verify that our injected backdoor is provably undetectable and unremovable by various state-of-the-art defenses under mild assumptions. Our evaluation on multiple datasets further demonstrates that our injected backdoor: 1) incurs negligible classification loss, 2) achieves 100\% attack success rates, and 3) bypasses six existing state-of-the-art defenses. Moreover, our comparison with a state-of-the-art non-data-free backdoor attack shows our attack is more stealthy and effective against various defenses while achieving less classification accuracy loss. We will release our code upon paper acceptance.

Forecasting a typical object's future motion is a critical task for interpreting and interacting with dynamic environments in computer vision. Event-based sensors, which could capture changes in the scene with exceptional temporal granularity, may potentially offer a unique opportunity to predict future motion with a level of detail and precision previously unachievable. Inspired by that, we propose to integrate the strong learning capacity of the video diffusion model with the rich motion information of an event camera as a motion simulation framework. Specifically, we initially employ pre-trained stable video diffusion models to adapt the event sequence dataset. This process facilitates the transfer of extensive knowledge from RGB videos to an event-centric domain. Moreover, we introduce an alignment mechanism that utilizes reinforcement learning techniques to enhance the reverse generation trajectory of the diffusion model, ensuring improved performance and accuracy. Through extensive testing and validation, we demonstrate the effectiveness of our method in various complex scenarios, showcasing its potential to revolutionize motion flow prediction in computer vision applications such as autonomous vehicle guidance, robotic navigation, and interactive media. Our findings suggest a promising direction for future research in enhancing the interpretative power and predictive accuracy of computer vision systems. The source code is publicly available at https://github.com/p4r4mount/E-Motion.

The remarkable capabilities and easy accessibility of large language models (LLMs) have significantly increased societal risks (e.g., fake news generation), necessitating the development of LLM-generated text (LGT) detection methods for safe usage. However, detecting LGTs is challenging due to the vast number of LLMs, making it impractical to account for each LLM individually; hence, it is crucial to identify the common characteristics shared by these models. In this paper, we draw attention to a common feature of recent powerful LLMs, namely the alignment training, i.e., training LLMs to generate human-preferable texts. Our key finding is that as these aligned LLMs are trained to maximize the human preferences, they generate texts with higher estimated preferences even than human-written texts; thus, such texts are easily detected by using the reward model (i.e., an LLM trained to model human preference distribution). Based on this finding, we propose two training schemes to further improve the detection ability of the reward model, namely (i) continual preference fine-tuning to make reward model prefer aligned LGTs even further and (ii) reward modeling of Human/LLM mixed texts (a rephrased texts from human-written texts using aligned LLMs), which serves as a median preference text corpus between LGTs and human-written texts to learn the decision boundary better. We provide an extensive evaluation by considering six text domains across twelve aligned LLMs, where our method demonstrates state-of-the-art results.

Recent token reduction methods for Vision Transformers (ViTs) incorporate token merging, which measures the similarities between token embeddings and combines the most similar pairs. However, their merging policies are directly dependent on intermediate features in ViTs, which prevents exploiting features tailored for merging and requires end-to-end training to improve token merging. In this paper, we propose Decoupled Token Embedding for Merging (DTEM) that enhances token merging through a decoupled embedding learned via a continuously relaxed token merging process. Our method introduces a lightweight embedding module decoupled from the ViT forward pass to extract dedicated features for token merging, thereby addressing the restriction from using intermediate features. The continuously relaxed token merging, applied during training, enables us to learn the decoupled embeddings in a differentiable manner. Thanks to the decoupled structure, our method can be seamlessly integrated into existing ViT backbones and trained either modularly by learning only the decoupled embeddings or end-to-end by fine-tuning. We demonstrate the applicability of DTEM on various tasks, including classification, captioning, and segmentation, with consistent improvement in token merging. Especially in the ImageNet-1k classification, DTEM achieves a 37.2\% reduction in FLOPs while maintaining a top-1 accuracy of 79.85\% with DeiT-small.

To use artificial intelligence and machine learning models wisely we must understand how they interact with the world, including how they depend causally on data inputs. In this work we develop Causal Dependence Plots (CDPs) to visualize how a model's predicted outcome depends on changes in a given predictor *along with consequent causal changes in other predictor variables*. Crucially, this differs from standard methods based on independence or holding other predictors constant, such as regression coefficients or Partial Dependence Plots (PDPs). Our explanatory framework generalizes PDPs, including them as a special case, as well as a variety of other interpretive plots that show, for example, the total, direct, and indirect effects of causal mediation. We demonstrate with simulations and real data experiments how CDPs can be combined in a modular way with methods for causal learning or sensitivity analysis. Since people often think causally about input-output dependence, CDPs can be powerful tools in the xAI or interpretable machine learning toolkit and contribute to applications like scientific machine learning and algorithmic fairness.

In this paper, we study the problem of learning the structure of a discrete set of $N$ tokens based on their interactions with other tokens. We focus on a setting where the tokens can be partitioned into a small number of classes, and there exists a real-valued function $f$ defined on certain sets of tokens. This function, which captures the interactions between tokens, depends only on the class memberships of its arguments. The goal is to recover the class memberships of all tokens from a finite number of samples of $f$. We begin by analyzing this problem from both complexity-theoretic and information-theoretic viewpoints. We prove that it is NP-complete in general, and for random instances, we show that on the order of $N\ln(N)$ samples, implying very sparse interactions, suffice to identify the partition. We then investigate the conditions under which gradient flow dynamics of token embeddings can reveal the class structure, finding that this is achievable in certain settings when given on the order of $N^2\ln^2(N)$ samples.

The in-context learning (ICL) capability of pre-trained models based on the transformer architecture has received growing interest in recent years. While theoretical understanding has been obtained for ICL in reinforcement learning (RL), the previous results are largely confined to the single-agent setting. This work proposes to further explore the in-context learning capabilities of pre-trained transformer models in competitive multi-agent games, i.e., in-context game-playing (ICGP). Focusing on the classical two-player zero-sum games, theoretical guarantees are provided to demonstrate that pre-trained transformers can provably learn to approximate Nash equilibrium in an in-context manner for both decentralized and centralized learning settings. As a key part of the proof, constructional results are established to demonstrate that the transformer architecture is sufficiently rich to realize celebrated multi-agent game-playing algorithms, in particular, decentralized V-learning and centralized VI-ULCB.

Sharpness Aware Minimization (SAM) enhances performance across various neural architectures and datasets. As models are continually scaled up to improve performance, a rigorous understanding of SAM’s scaling behaviour is paramount. To this end, we study the infinite-width limit of neural networks trained with SAM, using the Tensor Programs framework. Our findings reveal that the dynamics of standard SAM effectively reduce to applying SAM solely in the last layer in wide neural networks, even with optimal hyperparameters. In contrast, we identify a stable parameterization with layerwise perturbation scaling, which we call *Maximal Update and Perturbation Parameterization* ($\mu$P$^2$), that ensures all layers are both feature learning and effectively perturbed in the limit. Through experiments with MLPs, ResNets and Vision Transformers, we empirically demonstrate that $\mu$P$^2$ is the first parameterization to achieve hyperparameter transfer of the joint optimum of learning rate and perturbation radius across model scales. Moreover, we provide an intuitive condition to derive $\mu$P$^2$ for other perturbation rules like Adaptive SAM and SAM-ON, also ensuring balanced perturbation effects across all layers.

Multiple Sequence Alignment (MSA) plays a pivotal role in unveiling the evolutionary trajectories of protein families. The accuracy of protein structure predictions is often compromised for protein sequences that lack sufficient homologous information to construct high-quality MSA. Although various methods have been proposed to generate high-quality MSA under these conditions, they fall short in comprehensively capturing the intricate co-evolutionary patterns within MSA or require guidance from external oracle models. Here we introduce MSAGPT, a novel approach to prompt protein structure predictions via MSA generative pre-training in a low-MSA regime. MSAGPT employs a simple yet effective 2D evolutionary positional encoding scheme to model the complex evolutionary patterns. Endowed by this, the flexible 1D MSA decoding framework facilitates zero- or few-shot learning. Moreover, we demonstrate leveraging the feedback from AlphaFold2 (AF2) can further enhance the model’s capacity via Rejective Fine-tuning (RFT) and Reinforcement Learning from AF2 Feedback (RLAF). Extensive experiments confirm the efficacy of MSAGPT in generating faithful and informative MSA (up to +8.5% TM-Score on few-shot scenarios). The transfer learning also demonstrates its great potential for the wide range of tasks resorting to the quality of MSA.

Large language models (LLMs) are increasingly used in applications where LLM inputs may span many different tasks. Recent work has found that the choice of LLM is consequential, and different LLMs may be good for different input samples. Prior approaches have thus explored how engineers might select an LLM to use for each sample (i.e. _routing_). While existing routing methods mostly require training auxiliary models on human-annotated data, our work explores whether it is possible to perform _unsupervised_ routing. We propose Smoothie, a weak supervision-inspired routing approach that requires no labeled data. Given a set of outputs from different LLMs, Smoothie constructs a latent variable graphical model over embedding representations of observable LLM outputs and unknown “true” outputs. Using this graphical model, we estimate sample-dependent quality scores for each LLM, and route each sample to the LLM with the highest corresponding score. We find that Smoothie's LLM quality-scores correlate with ground-truth model quality (correctly identifying the optimal model on 9/14 tasks), and that Smoothie outperforms baselines for routing by up to 10 points accuracy.

Embeddings produced by pre-trained deep neural networks (DNNs) are widely used; however, their efficacy for downstream tasks can vary widely. We study the factors influencing transferability and out-of-distribution (OOD) generalization of pre-trained DNN embeddings through the lens of the tunnel effect hypothesis, which is closely related to intermediate neural collapse. This hypothesis suggests that deeper DNN layers compress representations and hinder OOD generalization. Contrary to earlier work, our experiments show this is not a universal phenomenon. We comprehensively investigate the impact of DNN architecture, training data, image resolution, and augmentations on transferability. We identify that training with high-resolution datasets containing many classes greatly reduces representation compression and improves transferability. Our results emphasize the danger of generalizing findings from toy datasets to broader contexts.

Efficient deployment of Large Language Models (LLMs) requires batching multiple requests together to improve throughput. As batch size, context length, or model size increases, the size of key and value (KV) cache quickly becomes the main contributor to GPU memory usage and the bottleneck of inference latency and throughput. Quantization has emerged as an effective technique for KV cache compression, but existing methods still fail at very low bit widths. Currently, KV cache quantization is performed per-channel or per-token independently. Our analysis shows that distinct channels of a key/value activation embedding are highly interdependent, and the joint entropy of multiple channels grows at a slower rate than the sum of their marginal entropy, which implies that per-channel independent quantization is sub-optimal. To mitigate this sub-optimality, we propose Coupled Quantization (CQ), which couples multiple key/value channels together for quantization to exploit their interdependence and encode the activations in a more information-efficient manner. Extensive experiments reveal that CQ compares favorably with existing baselines in preserving model quality, and improves inference throughput by 1.4–3.5$\times$ relative to the uncompressed baseline. Furthermore, we demonstrate that CQ can preserve model quality reasonably with KV cache quantized down to 1 bit.

Cultural accumulation drives the open-ended and diverse progress in capabilities spanning human history. It builds an expanding body of knowledge and skills by combining individual exploration with inter-generational information transmission. Despite its widespread success among humans, the capacity for artificial learning agents to accumulate culture remains under-explored. In particular, approaches to reinforcement learning typically strive for improvements over only a single lifetime. Generational algorithms that do exist fail to capture the open-ended, emergent nature of cultural accumulation, which allows individuals to trade-off innovation and imitation. Building on the previously demonstrated ability for reinforcement learning agents to perform social learning, we find that training setups which balance this with independent learning give rise to cultural accumulation. These accumulating agents outperform those trained for a single lifetime with the same cumulative experience. We explore this accumulation by constructing two models under two distinct notions of a generation: episodic generations, in which accumulation occurs via in-context learning and train-time generations, in which accumulation occurs via in-weights learning. In-context and in-weights cultural accumulation can be interpreted as analogous to knowledge and skill accumulation, respectively. To the best of our knowledge, this work is the first to present general models that achieve emergent cultural accumulation in reinforcement learning, opening up new avenues towards more open-ended learning systems, as well as presenting new opportunities for modelling human culture.

Models are expected to engage in invariance learning, which involves distinguishing the core relations that remain consistent across varying environments to ensure the predictions are safe, robust and fair. While existing works consider specific algorithms to realize invariance learning, we show that model has the potential to learn invariance through standard training procedures. In other words, this paper studies the implicit bias of Stochastic Gradient Descent (SGD) over heterogeneous data and shows that the implicit bias drives the model learning towards an invariant solution. We call the phenomenon the implicit invariance learning. Specifically, we theoretically investigate the multi-environment low-rank matrix sensing problem where in each environment, the signal comprises (i) a lower-rank invariant part shared across all environments; and (ii) a significantly varying environment-dependent spurious component. The key insight is, through simply employing the large step size large-batch SGD sequentially in each environment without any explicit regularization, the oscillation caused by heterogeneity can provably prevent model learning spurious signals. The model reaches the invariant solution after certain iterations. In contrast, model learned using pooled SGD over all data would simultaneously learn both the invariant and spurious signals. Overall, we unveil another implicit bias that is a result of the symbiosis between the heterogeneity of data and modern algorithms, which is, to the best of our knowledge, first in the literature.

Optimization over permutations is typically an NP-hard problem that arises extensively in ranking, matching, tracking, etc. Birkhoff polytope-based relaxation methods have made significant advancements, particularly in penalty-free optimization and probabilistic inference. Relaxation onto the orthogonal group offers unique potential advantages such as a lower representation dimension and preservation of inner products; however, equally effective approaches remain unexplored. To bridge the gap, we present a temperature-controlled differentiable transformation that maps unconstrained vector space to the orthogonal group, where the temperature, in the limit, concentrates orthogonal matrices near permutation matrices. This transformation naturally implements a parameterization for the relaxation of permutation matrices, allowing for gradient-based optimization of problems involving permutations. Additionally, by deriving a re-parameterized gradient estimator, this transformation also provides efficient stochastic optimization over the latent permutations. Extensive experiments involving the optimization over permutation matrices validate the effectiveness of the proposed method.

Thanks to the rapid progress in RGB & thermal imaging, also known as multispectral imaging, the task of multispectral video semantic segmentation, or MVSS in short, has recently drawn significant attentions. Noticeably, it offers new opportunities in improving segmentation performance under unfavorable visual conditions such as poor light or overexposure. Unfortunately, there are currently very few datasets available, including for example MVSeg dataset that focuses purely toward eye-level view; and it features the sparse annotation nature due to the intensive demands of labeling process. To address these key challenges of the MVSS task, this paper presents two major contributions: the introduction of MVUAV, a new MVSS benchmark dataset, and the development of a dedicated semi-supervised MVSS baseline - SemiMV. Our MVUAV dataset is captured via Unmanned Aerial Vehicles (UAV), which offers a unique oblique bird’s-eye view complementary to the existing MVSS datasets; it also encompasses a broad range of day/night lighting conditions and over 30 semantic categories. In the meantime, to better leverage the sparse annotations and extra unlabeled RGB-Thermal videos, a semi-supervised learning baseline, SemiMV, is proposed to enforce consistency regularization through a dedicated Cross-collaborative Consistency Learning (C3L) module and a denoised temporal aggregation strategy. Comprehensive empirical evaluations on both MVSeg and MVUAV benchmark datasets have showcased the efficacy of our SemiMV baseline.

Many reinforcement learning (RL) algorithms are too costly to use in practice due to the large sizes $S,A$ of the problem's state and action space. To resolve this issue, we study transfer RL with latent low rank structure. We consider the problem of transferring a latent low rank representation when the source and target MDPs have transition kernels with Tucker rank $(S, d, A)$, $(S ,S , d), (d, S , A )$, or $(d , d , d )$. In each setting, we introduce the transfer-ability coefficient $\alpha$ that measures the difficulty of representational transfer. Our algorithm learns latent representations in each source MDP and then exploits the linear structure to remove the dependence on $S , A $, or $SA $ in the target MDP regret bound. We complement our positive results with information theoretic lower bounds that show our algorithms (excluding the ($d, d, d$) setting) are minimax-optimal with respect to $\alpha$.

A challenging problem in seeking to bring multi-agent reinforcement learning (MARL) techniques into real-world applications, such as autonomous driving and drone swarms, is how to control multiple agents safely and cooperatively to accomplish tasks. Most existing safe MARL methods learn the centralized value function by introducing a global state to guide safety cooperation. However, the global coupling arising from agents’ safety constraints and the exponential growth of the state-action space size limit their applicability in instant communication or computing resource-constrained systems and larger multi-agent systems. In this paper, we develop a novel scalable and theoretically-justified multi-agent constrained policy optimization method. This method utilizes the rigorous bounds of the trust region method and the bounds of the truncated advantage function to provide a new local policy optimization objective for each agent. Also, we prove that the safety constraints and the joint policy improvement can be met when each agent adopts a sequential update scheme to optimize a $\kappa$-hop policy. Then, we propose a practical algorithm called Scalable MAPPO-Lagrangian (Scal-MAPPO-L). The proposed method’s effectiveness is verified on a collection of benchmark tasks, and the results support our theory that decentralized training with local interactions can still improve reward performance and satisfy safe constraints.