NeurIPS 2024 论文列表

State-of-the-art deep learning models for tabular data have recently achieved acceptable performance to be deployed in industrial settings. However, the robustness of these models remains scarcely explored. Contrary to computer vision, there are no effective attacks to properly evaluate the adversarial robustness of deep tabular models due to intrinsic properties of tabular data, such as categorical features, immutability, and feature relationship constraints. To fill this gap, we first propose CAPGD, a gradient attack that overcomes the failures of existing gradient attacks with adaptive mechanisms. This new attack does not require parameter tuning and further degrades the accuracy, up to 81\% points compared to the previous gradient attacks. Second, we design CAA, an efficient evasion attack that combines our CAPGD attack and MOEVA, the best search-based attack. We demonstrate the effectiveness of our attacks on five architectures and four critical use cases. Our empirical study demonstrates that CAA outperforms all existing attacks in 17 over the 20 settings, and leads to a drop in the accuracy by up to 96.1\% points and 21.9\% points compared to CAPGD and MOEVA respectively while being up to five times faster than MOEVA. Given the effectiveness and efficiency of our new attacks, we argue that they should become the minimal test for any new defense or robust architectures in tabular machine learning.

In this paper, we propose a novel activation function tailored specifically for graph data in Graph Neural Networks (GNNs). Motivated by the need for graph-adaptive and flexible activation functions, we introduce DiGRAF, leveraging Continuous Piecewise-Affine Based (CPAB) transformations, which we augment with an additional GNN to learn a graph-adaptive diffeomorphic activation function in an end-to-end manner. In addition to its graph-adaptivity and flexibility, DiGRAF also possesses properties that are widely recognized as desirable for activation functions, such as differentiability, boundness within the domain, and computational efficiency. We conduct an extensive set of experiments across diverse datasets and tasks, demonstrating a consistent and superior performance of DiGRAF compared to traditional and graph-specific activation functions, highlighting its effectiveness as an activation function for GNNs. Our code is available at https://github.com/ipsitmantri/DiGRAF.

The softmax function is ubiquitous in machine learning and optimization applications. Computing the full softmax evaluation of a matrix-vector product can be computationally expensive in high-dimensional settings. In many applications, however, it is sufficient to calculate only the top few outputs of the softmax function. In this work, we present an algorithm, dubbed AdaptiveSoftmax, that adaptively computes the top k softmax values more efficiently than the full softmax computation, with probabilistic guarantees. We demonstrate the sample efficiency improvements afforded by AdaptiveSoftmax on real and synthetic data to corroborate our theoretical results. AdaptiveSoftmax yields >10x gain over full softmax computation on most datasets, yielding up to 30x improvement for Mistral7B evaluated on the Wikitext dataset. The adaptive method we propose for estimating the partition function (the softmax denominator) is of independent interest and can be used in other applications such as kernel density estimation.

The wider application of end-to-end learning methods to embodied decision-making domains remains bottlenecked by their reliance on a superabundance of training data representative of the target domain. Meta-reinforcement learning (meta-RL) approaches abandon the aim of zero-shot *generalization*—the goal of standard reinforcement learning (RL)—in favor of few-shot *adaptation*, and thus hold promise for bridging larger generalization gaps. While learning this meta-level adaptive behavior still requires substantial data, efficient environment simulators approaching real-world complexity are growing in prevalence. Even so, hand-designing sufficiently diverse and numerous simulated training tasks for these complex domains is prohibitively labor-intensive. Domain randomization (DR) and procedural generation (PG), offered as solutions to this problem, require simulators to possess carefully-defined parameters which directly translate to meaningful task diversity—a similarly prohibitive assumption. In this work, we present **DIVA**, an evolutionary approach for generating diverse training tasks in such complex, open-ended simulators. Like unsupervised environment design (UED) methods, DIVA can be applied to arbitrary parameterizations, but can additionally incorporate realistically-available domain knowledge—thus inheriting the *flexibility* and *generality* of UED, and the supervised *structure* embedded in well-designed simulators exploited by DR and PG. Our empirical results showcase DIVA's unique ability to overcome complex parameterizations and successfully train adaptive agent behavior, far outperforming competitive baselines from prior literature. These findings highlight the potential of such *semi-supervised environment design* (SSED) approaches, of which DIVA is the first humble constituent, to enable training in realistic simulated domains, and produce more robust and capable adaptive agents. Our code is available at [https://github.com/robbycostales/diva](https://github.com/robbycostales/diva).

We consider the well-studied problem of completing a rank-$r$, $\mu$-incoherent matrix $\mathbf{M} \in \mathbb{R}^{d \times d}$ from incomplete observations. We focus on this problem in the semi-random setting where each entry is independently revealed with probability at least $p = \frac{\textup{poly}(r, \mu, \log d)}{d}$. Whereas multiple nearly-linear time algorithms have been established in the more specialized fully-random setting where each entry is revealed with probablity exactly $p$, the only known nearly-linear time algorithm in the semi-random setting is due to [CG18], whose sample complexity has a polynomial dependence on the inverse accuracy and condition number and thus cannot achieve high-accuracy recovery. Our main result is the first high-accuracy nearly-linear time algorithm for solving semi-random matrix completion, and an extension to the noisy observation setting. Our result builds upon the recent short-flat decomposition framework of [KLLST23a, KLLST23b] and leverages fast algorithms for flow problems on graphs to solve adaptive reweighting subproblems efficiently.

Gradient-variation online learning aims to achieve regret guarantees that scale with variations in the gradients of online functions, which is crucial for attaining fast convergence in games and robustness in stochastic optimization, hence receiving increased attention. Existing results often require the smoothness condition by imposing a fixed bound on gradient Lipschitzness, which may be unrealistic in practice. Recent efforts in neural network optimization suggest a generalized smoothness condition, allowing smoothness to correlate with gradient norms. In this paper, we systematically study gradient-variation online learning under generalized smoothness. We extend the classic optimistic mirror descent algorithm to derive gradient-variation regret by analyzing stability over the optimization trajectory and exploiting smoothness locally. Then, we explore universal online learning, designing a single algorithm with the optimal gradient-variation regrets for convex and strongly convex functions simultaneously, without requiring prior knowledge of curvature. This algorithm adopts a two-layer structure with a meta-algorithm running over a group of base-learners. To ensure favorable guarantees, we design a new Lipschitz-adaptive meta-algorithm, capable of handling potentially unbounded gradients while ensuring a second-order bound to effectively ensemble the base-learners. Finally, we provide the applications for fast-rate convergence in games and stochastic extended adversarial optimization.

Large language models have shown an impressive societal impact owing to their excellent understanding and logical reasoning skills. However, such strong ability relies on a huge amount of computing resources, which makes it difficult to deploy LLMs on computing resource-constrained platforms. Currently, LLMs process each token equivalently, but we argue that not every word is equally important. Some words should not be allocated excessive computing resources, particularly for dispensable terms in simple questions. In this paper, we propose a novel dynamic inference paradigm for LLMs, namely D-LLMs, which adaptively allocate computing resources in token processing. We design a dynamic decision module for each transformer layer that decides whether a network unit should be executed or skipped. Moreover, we tackle the issue of adapting D-LLMs to real-world applications, specifically concerning the missing KV-cache when layers are skipped. To overcome this, we propose a simple yet effective eviction policy to exclude the skipped layers from subsequent attention calculations. The eviction policy not only enables D-LLMs to be compatible with prevalent applications but also reduces considerable storage resources. Experimentally, D-LLMs show superior performance, in terms of computational cost and KV storage utilization. It can reduce up to 45\% computational cost and KV storage on Q\&A, summarization, and math solving tasks, 50\% on commonsense reasoning tasks.

We propose a new variant of the Adam optimizer called MicroAdam that specifically minimizes memory overheads, while maintaining theoretical convergence guarantees. We achieve this by compressing the gradient information before it is fed into the optimizer state, thereby reducing its memory footprint significantly. We control the resulting compression error via a novel instance of the classical *error feedback* mechanism from distributed optimization in which *the error correction information is itself compressed* to allow for practical memory gains. We prove that the resulting approach maintains theoretical convergence guarantees competitive to those of AMSGrad, while providing good practical performance. Specifically, we show that MicroAdam can be implemented efficiently on GPUs: on both million-scale (BERT) and billion-scale (LLaMA) models, MicroAdam provides practical convergence competitive to that of the uncompressed Adam baseline, with lower memory usage and similar running time. Our code is available at https://github.com/IST-DASLab/MicroAdam.

Due to the lack of state dimension optimization methods, deep state space models (SSMs) have sacrificed model capacity, training search space, or stability to alleviate computational costs caused by high state dimensions. In this work, we provide a structured pruning method for SSMs, Layer-Adaptive STate pruning (LAST), which reduces the state dimension of each layer in minimizing model-level output energy loss by extending modal truncation for a single system. LAST scores are evaluated using the $\mathcal{H}_{\infty}$ norms of subsystems and layer-wise energy normalization. The scores serve as global pruning criteria, enabling cross-layer comparison of states and layer-adaptive pruning. Across various sequence benchmarks, LAST optimizes previous SSMs, revealing the redundancy and compressibility of their state spaces. Notably, we demonstrate that, on average, pruning 33\% of states still maintains performance with 0.52\% accuracy loss in multi-input multi-output SSMs without retraining. Code is available at https://github.com/msgwak/LAST.

Adam has been shown to outperform gradient descent on large language models by a larger margin than on other tasks, but it is unclear why. We show that a key factor in this performance gap is the heavy-tailed class imbalance found in language tasks. When trained with gradient descent, the loss of infrequent words decreases more slowly than the loss of frequent ones. This leads to a slow decrease on the average loss as most samples come from infrequent words. On the other hand, Adam and sign-based methods are less sensitive to this problem. To establish that this behavior is caused by class imbalance, we show empirically that it can be reproduced across architectures and data types, on language transformers, vision CNNs, and linear models. On a linear model with cross-entropy loss, we show that class imbalance leads to imbalanced, correlated gradients and Hessians that have been hypothesized to benefit Adam. We also prove that, in continuous time, gradient descent converges slowly on low-frequency classes while sign descent does not.

Time series forecasting typically needs to address non-stationary data with evolving trend and seasonal patterns. To address the non-stationarity, reversible instance normalization has been recently proposed to alleviate impacts from the trend with certain statistical measures, e.g., mean and variance. Although they demonstrate improved predictive accuracy, they are limited to expressing basic trends and are incapable of handling seasonal patterns. To address this limitation, this paper proposes a new instance normalization solution, called frequency adaptive normalization (FAN), which extends instance normalization in handling both dynamic trend and seasonal patterns. Specifically, we employ the Fourier transform to identify instance-wise predominant frequent components that cover most non-stationary factors. Furthermore, the discrepancy of those frequency components between inputs and outputs is explicitly modeled as a prediction task with a simple MLP model. FAN is a model-agnostic method that can be applied to arbitrary predictive backbones. We instantiate FAN on four widely used forecasting models as the backbone and evaluate their prediction performance improvements on eight benchmark datasets. FAN demonstrates significant performance advancement, achieving 7.76\%$\sim$37.90\% average improvements in MSE. Our code is publicly available at http://github.com/icannotnamemyself/FAN.

Vanilla pixel-level classifiers for semantic segmentation are based on a certain paradigm, involving the inner product of fixed prototypes obtained from the training set and pixel features in the test image. This approach, however, encounters significant limitations, i.e., feature deviation in the semantic domain and information loss in the spatial domain. The former struggles with large intra-class variance among pixel features from different images, while the latter fails to utilize the structured information of semantic objects effectively. This leads to blurred mask boundaries as well as a deficiency of fine-grained recognition capability. In this paper, we propose a novel Semantic and Spatial Adaptive Classifier (SSA-Seg) to address the above challenges. Specifically, we employ the coarse masks obtained from the fixed prototypes as a guide to adjust the fixed prototype towards the center of the semantic and spatial domains in the test image. The adapted prototypes in semantic and spatial domains are then simultaneously considered to accomplish classification decisions. In addition, we propose an online multi-domain distillation learning strategy to improve the adaption process. Experimental results on three publicly available benchmarks show that the proposed SSA-Seg significantly improves the segmentation performance of the baseline models with only a minimal increase in computational cost.

Although transformer-based methods have achieved great success in multi-scale temporal pattern interaction modeling, two key challenges limit their further development: (1) Individual time points contain less semantic information, and leveraging attention to model pair-wise interactions may cause the information utilization bottleneck. (2) Multiple inherent temporal variations (e.g., rising, falling, and fluctuating) entangled in temporal patterns. To this end, we propose Adaptive Multi-Scale Hypergraph Transformer (Ada-MSHyper) for time series forecasting. Specifically, an adaptive hypergraph learning module is designed to provide foundations for modeling group-wise interactions, then a multi-scale interaction module is introduced to promote more comprehensive pattern interactions at different scales. In addition, a node and hyperedge constraint mechanism is introduced to cluster nodes with similar semantic information and differentiate the temporal variations within each scales. Extensive experiments on 11 real-world datasets demonstrate that Ada-MSHyper achieves state-of-the-art performance, reducing prediction errors by an average of 4.56%, 10.38%, and 4.97% in MSE for long-range, short-range, and ultra-long-range time series forecasting, respectively. Code is available at https://github.com/shangzongjiang/Ada-MSHyper.

We address the problem of stochastic combinatorial semi-bandits, where a player selects among $P$ actions from the power set of a set containing $d$ base items. Adaptivity to the problem's structure is essential in order to obtain optimal regret upper bounds. As estimating the coefficients of a covariance matrix can be manageable in practice, leveraging them should improve the regret. We design ``optimistic'' covariance-adaptive algorithms relying on online estimations of the covariance structure, called OLS-UCB-C and COS-V (only the variances for the latter). They both yields improved gap-free regret. Although COS-V can be slightly suboptimal, it improves on computational complexity by taking inspiration from Thompson Sampling approaches. It is the first sampling-based algorithm satisfying a $\sqrt{T}$ gap-free regret (up to poly-logs). We also show that in some cases, our approach efficiently leverages the semi-bandit feedback and outperforms bandit feedback approaches, not only in exponential regimes where $P\gg d$ but also when $P\leq d$, which is not covered by existing analyses.

We propose adaptive, line-search-free second-order methods with optimal rate of convergence for solving convex-concave min-max problems. By means of an adaptive step size, our algorithms feature a simple update rule that requires solving only one linear system per iteration, eliminating the need for line-search or backtracking mechanisms. Specifically, we base our algorithms on the optimistic method and appropriately combine it with second-order information. Moreover, distinct from common adaptive schemes, we define the step size recursively as a function of the gradient norm and the prediction error in the optimistic update. We first analyze a variant where the step size requires knowledge of the Lipschitz constant of the Hessian. Under the additional assumption of Lipschitz continuous gradients, we further design a parameter-free version by tracking the Hessian Lipschitz constant locally and ensuring the iterates remain bounded. We also evaluate the practical performance of our algorithm by comparing it to existing second-order algorithms for minimax optimization.

Predictable adaptation of network depths can be an effective way to control inference latency and meet the resource condition of various devices. However, previous adaptive depth networks do not provide general principles and a formal explanation on why and which layers can be skipped, and, hence, their approaches are hard to be generalized and require long and complex training steps. In this paper, we present a practical approach to adaptive depth networks that is applicable to various networks with minimal training effort. In our approach, every hierarchical residual stage is divided into two sub-paths, and they are trained to acquire different properties through a simple self-distillation strategy. While the first sub-path is essential for hierarchical feature learning, the second one is trained to refine the learned features and minimize performance degradation if it is skipped. Unlike prior adaptive networks, our approach does not train every target sub-network in an iterative manner. At test time, however, we can connect these sub-paths in a combinatorial manner to select sub-networks of various accuracy-efficiency trade-offs from a single network. We provide a formal rationale for why the proposed training method can reduce overall prediction errors while minimizing the impact of skipping sub-paths. We demonstrate the generality and effectiveness of our approach with convolutional neural networks and transformers.

The rapid progress in Large Language Models (LLMs) poses potential risks such as generating unethical content. Assessing the values embedded in LLMs' generated responses can help expose their misalignment, but this relies on reference-free value evaluators, e.g. fine-tuned LLMs or closed-source models like GPT-4. Nevertheless, two key challenges emerge in open-ended value evaluation: the evaluator should adapt to changing human value definitions with minimal annotation, against their own bias (adaptability); and remain robust across varying value expressions and scenarios (generalizability). To handle these challenges, we introduce CLAVE, a novel framework that integrates two complementary LLMs: a large model to extract high-level value concepts from diverse responses, leveraging its extensive knowledge and generalizability, and a small model fine-tuned on these concepts to adapt to human value annotations. This dual-model framework enables adaptation to any value system using <100 human-labeled samples per value type. We also present ValEval, a comprehensive dataset comprising 13k+ (text,value,label) tuples across diverse domains, covering three major value systems. We benchmark the performance of 15+ popular LLM evaluators and fully analyze their strengths and weaknesses. Our findings reveal that CLAVE combining a large prompt-based model and a small fine-tuned one serves as an optimal balance in value evaluation.

Large Language Models (LLMs) have revolutionized the field of natural language processing with their impressive capabilities. However, their enormous size presents challenges for deploying them in real-world applications. Traditional compression techniques, like pruning, often lead to suboptimal performance due to their uniform pruning ratios and lack of consideration for the varying importance of features across different layers. To address these limitations, we present a novel Adaptive Layer Sparsity (ALS) approach to optimize LLMs. Our approach consists of two key steps. Firstly, we estimate the correlation matrix between intermediate layers by leveraging the concept of information orthogonality. This novel perspective allows for a precise measurement of the importance of each layer across the model. Secondly, we employ a linear optimization algorithm to develop an adaptive sparse allocation strategy based on evaluating the correlation matrix. This strategy enables us to selectively prune features in intermediate layers, achieving fine-grained optimization of the LLM model. Considering the varying importance across different layers, we can significantly reduce the model size without sacrificing performance. We conduct extensive experiments on publicly available language processing datasets, including the LLaMA-V1|V2|V3 family and OPT, covering various benchmarks. Our experimental results validate the effectiveness of our ALS method, showcasing its superiority over previous approaches. The performance gains demonstrate its potential for enhancing LLMs' efficiency and resource utilization. Notably, our approach surpasses the state-of-the-art models Wanda and SparseGPT, showcasing its ability to excel even under high sparsity levels. Codes at: https://github.com/lliai/ALS.

We study how to learn $\epsilon$-optimal strategies in zero-sum imperfect information games (IIG) with *trajectory feedback*. In this setting, players update their policies sequentially, based on their observations over a fixed number of episodes denoted by $T$. Most existing procedures suffer from high variance due to the use of importance sampling over sequences of actions. To reduce this variance, we consider a *fixed sampling* approach, where players still update their policies over time, but with observations obtained through a given fixed sampling policy. Our approach is based on an adaptive Online Mirror Descent (OMD) algorithm that applies OMD locally to each information set, using individually decreasing learning rates and a *regularized loss*. We show that this approach guarantees a convergence rate of $\tilde{\mathcal{O}}(T^{-1/2})$ with high probability and has a near-optimal dependence on the game parameters when applied with the best theoretical choices of learning rates and sampling policies. To achieve these results, we generalize the notion of OMD stabilization, allowing for time-varying regularization with convex increments.