NeurIPS 2024 Papers

Large Language Models (LLMs) have achieved remarkable success with their billion-level parameters, yet they incur high inference overheads. The emergence of activation sparsity in LLMs provides a natural approach to reduce this cost by involving only parts of the parameters for inference. However, existing methods only focus on utilizing this naturally formed activation sparsity in a post-training setting, overlooking the potential for further amplifying this inherent sparsity. In this paper, we hypothesize that LLMs can learn to be efficient by achieving more structured activation sparsity. To achieve this, we introduce a novel training algorithm, Learn-To-be-Efficient (LTE), designed to train efficiency-aware LLMs to learn to activate fewer neurons and achieve a better trade-off between sparsity and performance. Furthermore, unlike SOTA MoEfication methods, which mainly focus on ReLU-based models, LTE can also be applied to LLMs like LLaMA using non-ReLU activations. Extensive evaluation on language understanding, language generation, and instruction tuning tasks show that LTE consistently outperforms SOTA baselines. Along with our hardware-aware custom kernel implementation, LTE reduces LLaMA2-7B inference latency by 25% at 50% sparsity.

Cyber threat intelligence (CTI) is crucial in today's cybersecurity landscape, providing essential insights to understand and mitigate the ever-evolving cyber threats. The recent rise of Large Language Models (LLMs) have shown potential in this domain, but concerns about their reliability, accuracy, and hallucinations persist. While existing benchmarks provide general evaluations of LLMs, there are no benchmarks that address the practical and applied aspects of CTI-specific tasks. To bridge this gap, we introduce CTIBench, a benchmark designed to assess LLMs' performance in CTI applications. CTIBench includes multiple datasets focused on evaluating knowledge acquired by LLMs in the cyber-threat landscape. Our evaluation of several state-of-the-art models on these tasks provides insights into their strengths and weaknesses in CTI contexts, contributing to a better understanding of LLM capabilities in CTI.

Masked autoencoder has been widely explored in point cloud self-supervised learning, whereby the point cloud is generally divided into visible and masked parts. These methods typically include an encoder accepting visible patches (normalized) and corresponding patch centers (position) as input, with the decoder accepting the output of the encoder and the centers (position) of the masked parts to reconstruct each point in the masked patches. Then, the pre-trained encoders are used for downstream tasks. In this paper, we show a motivating empirical result that when directly feeding the centers of masked patches to the decoder without information from the encoder, it still reconstructs well. In other words, the centers of patches are important and the reconstruction objective does not necessarily rely on representations of the encoder, thus preventing the encoder from learning semantic representations. Based on this key observation, we propose a simple yet effective method, $i.e.$, learning to \textbf{P}redict \textbf{C}enters for \textbf{P}oint \textbf{M}asked \textbf{A}uto\textbf{E}ncoders (\textbf{PCP-MAE}) which guides the model to learn to predict the significant centers and use the predicted centers to replace the directly provided centers. Specifically, we propose a Predicting Center Module (PCM) that shares parameters with the original encoder with extra cross-attention to predict centers. Our method is of high pre-training efficiency compared to other alternatives and achieves great improvement over Point-MAE, particularly surpassing it by \textbf{5.50\% on OBJ-BG, 6.03\% on OBJ-ONLY, and 5.17\% on PB-T50-RS} for 3D object classification on the ScanObjectNN dataset. The code is available at \url{https://github.com/aHapBean/PCP-MAE}.

AI models are increasingly prevalent in high-stakes environments, necessitating thorough assessment of their capabilities and risks. Benchmarks are popular for measuring these attributes and for comparing model performance, tracking progress, and identifying weaknesses in foundation and non-foundation models. They can inform model selection for downstream tasks and influence policy initiatives. However, not all benchmarks are the same: their quality depends on their design and usability. In this paper, we develop an assessment framework considering 40 best practices across a benchmark's life cycle and evaluate 25 AI benchmarks against it. We find that there exist large quality differences and that commonly used benchmarks suffer from significant issues. We further find that most benchmarks do not report statistical significance of their results nor can results be easily replicated. To support benchmark developers in aligning with best practices, we provide a checklist for minimum quality assurance based on our assessment. We also develop a living repository of benchmark assessments to support benchmark comparability.

Computing Jacobians with automatic differentiation is ubiquitous in many scientific domains such as machine learning, computational fluid dynamics, robotics and finance. Even small savings in the number of computations or memory usage in Jacobian computations can already incur massive savings in energy consumption and runtime. While there exist many methods that allow for such savings, they generally trade computational efficiency for approximations of the exact Jacobian. In this paper, we present a novel method to optimize the number of necessary multiplications for Jacobian computation by leveraging deep reinforcement learning (RL) and a concept called cross-country elimination while still computing the exact Jacobian. Cross-country elimination is a framework for automatic differentiation that phrases Jacobian accumulation as ordered elimination of all vertices on the computational graph where every elimination incurs a certain computational cost. Finding the optimal elimination order that minimizes the number of necessary multiplications can be seen as a single player game which in our case is played by an RL agent. We demonstrate that this method achieves up to 33% improvements over state-of-the-art methods on several relevant tasks taken from relevant domains. Furthermore, we show that these theoretical gains translate into actual runtime improvements by providing a cross-country elimination interpreter in JAX that can execute the obtained elimination orders.

We develop a unifying framework for information-theoretic lower bound in statistical estimation and interactive decision making. Classical lower bound techniques---such as Fano's method, Le Cam's method, and Assouad's lemma---are central to the study of minimax risk in statistical estimation, yet are insufficient to provide tight lower bounds for \emph{interactive decision making} algorithms that collect data interactively (e.g., algorithms for bandits and reinforcement learning). Recent work of Foster et al. provides minimax lower bounds for interactive decision making using seemingly different analysis techniques from the classical methods. These results---which are proven using a complexity measure known as the \emph{Decision-Estimation Coefficient} (DEC)---capture difficulties unique to interactive learning, yet do not recover the tightest known lower bounds for passive estimation. We propose a unified view of these distinct methodologies through a new lower bound approach called \emph{interactive Fano method}. As an application, we introduce a novel complexity measure, the \emph{Fractional Covering Number}, which facilitates the new lower bounds for interactive decision making that extend the DEC methodology by incorporating the complexity of estimation. Using the fractional covering number, we (i) provide a unified characterization of learnability for \emph{any} stochastic bandit problem, (ii) close the remaining gap between the upper and lower bounds in Foster et al. (up to polynomial factors) for any interactive decision making problem in which the underlying model class is convex.

The efficacy of large language models (LLMs) in understanding and generating natural language has aroused a wide interest in developing prompt-based methods to harness the power of black-box LLMs. Existing methodologies usually prioritize a global optimization for finding the global optimum, which however will perform poorly in certain tasks. This thus motivates us to re-think the necessity of finding a global optimum in prompt optimization. To answer this, we conduct a thorough empirical study on prompt optimization and draw two major insights. Contrasting with the rarity of global optimum, local optima are usually prevalent and well-performed, which can be more worthwhile for efficient prompt optimization (**Insight I**). The choice of the input domain, covering both the generation and the representation of prompts, affects the identification of well-performing local optima (**Insight II**). Inspired by these insights, we propose a novel algorithm, namely localized zeroth-order prompt optimization (ZOPO), which incorporates a Neural Tangent Kernel-based derived Gaussian process into standard zeroth-order optimization for an efficient search of well-performing local optima in prompt optimization. Remarkably, ZOPO outperforms existing baselines in terms of both the optimization performance and the query efficiency, which we demonstrate through extensive experiments.

Global semantic 3D understanding from single-view high-resolution remote sensing (RS) imagery is crucial for Earth observation (EO). However, this task faces significant challenges due to the high costs of annotations and data collection, as well as geographically restricted data availability. To address these challenges, synthetic data offer a promising solution by being unrestricted and automatically annotatable, thus enabling the provision of large and diverse datasets. We develop a specialized synthetic data generation pipeline for EO and introduce SynRS3D, the largest synthetic RS dataset. SynRS3D comprises 69,667 high-resolution optical images that cover six different city styles worldwide and feature eight land cover types, precise height information, and building change masks. To further enhance its utility, we develop a novel multi-task unsupervised domain adaptation (UDA) method, RS3DAda, coupled with our synthetic dataset, which facilitates the RS-specific transition from synthetic to real scenarios for land cover mapping and height estimation tasks, ultimately enabling global monocular 3D semantic understanding based on synthetic data. Extensive experiments on various real-world datasets demonstrate the adaptability and effectiveness of our synthetic dataset and the proposed RS3DAda method. SynRS3D and related codes are available at https://github.com/JTRNEO/SynRS3D.

As a popular paradigm for juggling data privacy and collaborative training, federated learning (FL) is flourishing to distributively process the large scale of heterogeneous datasets on edged clients. Due to bandwidth limitations and security considerations, it ingeniously splits the original problem into multiple subproblems to be solved in parallel, which empowers primal dual solutions to great application values in FL. In this paper, we review the recent development of classical federated primal dual methods and point out a serious common defect of such methods in non-convex scenarios, which we say is a ``dual drift'' caused by dual hysteresis of those longstanding inactive clients under partial participation training. To further address this problem, we propose a novel Aligned Federated Primal Dual (A-FedPD) method, which constructs virtual dual updates to align global consensus and local dual variables for those protracted unparticipated local clients. Meanwhile, we provide a comprehensive analysis of the optimization and generalization efficiency for the A-FedPD method on smooth non-convex objectives, which confirms its high efficiency and practicality. Extensive experiments are conducted on several classical FL setups to validate the effectiveness of our proposed method.

We introduce *Brain-JEPA*, a brain dynamics foundation model with the Joint-Embedding Predictive Architecture (JEPA). This pioneering model achieves state-of-the-art performance in demographic prediction, disease diagnosis/prognosis, and trait prediction through fine-tuning. Furthermore, it excels in off-the-shelf evaluations (e.g., linear probing) and demonstrates superior generalizability across different ethnic groups, surpassing the previous large model for brain activity significantly. Brain-JEPA incorporates two innovative techniques: **Brain Gradient Positioning** and **Spatiotemporal Masking**. Brain Gradient Positioning introduces a functional coordinate system for brain functional parcellation, enhancing the positional encoding of different Regions of Interest (ROIs). Spatiotemporal Masking, tailored to the unique characteristics of fMRI data, addresses the challenge of heterogeneous time-series patches. These methodologies enhance model performance and advance our understanding of the neural circuits underlying cognition. Overall, Brain-JEPA is paving the way to address pivotal questions of building brain functional coordinate system and masking brain activity at the AI-neuroscience interface, and setting a potentially new paradigm in brain activity analysis through downstream adaptation.

Transduction is a powerful paradigm that leverages the structure of unlabeled data to boost predictive accuracy. We present TransCLIP, a novel and computationally efficient transductive approach designed for Vision-Language Models (VLMs). TransCLIP is applicable as a plug-and-play module on top of popular inductive zero- and few-shot models, consistently improving their performances. Our new objective function can be viewed as a regularized maximum-likelihood estimation, constrained by a KL divergence penalty that integrates the text-encoder knowledge and guides the transductive learning process. We further derive an iterative Block Majorize-Minimize (BMM) procedure for optimizing our objective, with guaranteed convergence and decoupled sample-assignment updates, yielding computationally efficient transduction for large-scale datasets. We report comprehensive evaluations, comparisons, and ablation studies that demonstrate: (i) Transduction can greatly enhance the generalization capabilities of inductive pretrained zero- and few-shot VLMs; (ii) TransCLIP substantially outperforms standard transductive few-shot learning methods relying solely on vision features, notably due to the KL-based language constraint.

Trustworthiness of generative language models (GLMs) is crucial in their deployment to critical decision making systems. Hence, certified risk control methods such as selective prediction and conformal prediction have been applied to mitigating the hallucination problem in various supervised downstream tasks. However, the lack of appropriate correctness metric hinders applying such principled methods to language generation tasks. In this paper, we circumvent this problem by leveraging the concept of textual entailment to evaluate the correctness of the generated sequence, and propose two selective generation algorithms which control the false discovery rate with respect to the textual entailment relation (FDR-E) with a theoretical guarantee: $\texttt{SGen}^{\texttt{Sup}}$ and $\texttt{SGen}^{\texttt{Semi}}$. $\texttt{SGen}^{\texttt{Sup}}$, a direct modification of the selective prediction, is a supervised learning algorithm which exploits entailment-labeled data, annotated by humans. Since human annotation is costly, we further propose a semi-supervised version, $\texttt{SGen}^{\texttt{Semi}}$, which fully utilizes the unlabeled data by pseudo-labeling, leveraging an entailment set function learned via conformal prediction. Furthermore, $\texttt{SGen}^{\texttt{Semi}}$ enables to use more general class of selection functions, neuro-selection functions, and provides users with an optimal selection function class given multiple candidates. Finally, we demonstrate the efficacy of the $\texttt{SGen}$ family in achieving a desired FDR-E level with comparable selection efficiency to those from baselines on both open and closed source GLMs. Code and datasets are provided at https://github.com/ml-postech/selective-generation.

Effective communication between the server and workers plays a key role in distributed optimization. In this paper, we focus on optimizing communication, uncovering inefficiencies in prevalent downlink compression approaches. Considering first the pure setup where the uplink communication costs are negligible, we introduce MARINA-P, a novel method for downlink compression, employing a collection of correlated compressors. Theoretical analysis demonstrates that MARINA-P with permutation compressors can achieve a server-to-worker communication complexity improving with the number of workers, thus being provably superior to existing algorithms. We further show that MARINA-P can serve as a starting point for extensions such as methods supporting bidirectional compression: we introduce M3, a method combining MARINA-P with uplink compression and a momentum step, achieving bidirectional compression with provable improvements in total communication complexity as the number of workers increases. Theoretical findings align closely with empirical experiments, underscoring the efficiency of the proposed algorithms.

Reinforcement Learning from Human Feedback (RLHF) is a powerful paradigm for aligning foundation models to human values and preferences. However, current RLHF techniques cannot account for the naturally occurring differences in individual human preferences across a diverse population. When these differences arise, traditional RLHF frameworks simply average over them, leading to inaccurate rewards and poor performance for individual subgroups. To address the need for pluralistic alignment, we develop a class of multimodal RLHF methods. Our proposed techniques are based on a latent variable formulation - inferring a novel user-specific latent and learning reward models and policies conditioned on this latent without additional user-specific data. While conceptually simple, we show that in practice, this reward modeling requires careful algorithmic considerations around model architecture and reward scaling. To empirically validate our proposed technique, we first show that it can provide a way to combat underspecification in simulated control problems, inferring and optimizing user-specific reward functions. Next, we conduct experiments on pluralistic language datasets representing diverse user preferences and demonstrate improved reward function accuracy. We additionally show the benefits of this probabilistic framework in terms of measuring uncertainty, and actively learning user preferences. This work enables learning from diverse populations of users with divergent preferences, an important challenge that naturally occurs in problems from robot learning to foundation model alignment.

When rows of an $n \times d$ matrix $A$ are given in a stream, we study algorithms for approximating the top eigenvector of $A^T A$ (equivalently, the top right singular vector of $A$). We consider worst case inputs $A$ but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter $R = \sigma_1(A)^2/\sigma_2(A)^2 = \Omega(1)$, then there is a randomized algorithm that uses $O(h \cdot d \cdot \text{polylog}(d))$ bits of space and outputs a unit vector $v$ that has a correlation $1 - O(1/\sqrt{R})$ with the top eigenvector $v_1$. Here $h$ denotes the number of ``heavy rows'' in the matrix, defined as the rows with Euclidean norm at least $\|{A}\|_F/\sqrt{d \cdot \text{polylog}(d)}$. We also provide a lower bound showing that any algorithm using $O(hd/R)$ bits of space can obtain at most $1 - \Omega(1/R^2)$ correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the $R = \Omega(\log n \cdot \log d)$ requirement in a recent work of Price. We note that Price's algorithm works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in Price's analysis can be brought down to $R = \Omega(\log^2 d)$ for arbitrary order streams and $R = \Omega(\log d)$ for random order streams. The requirement of $R = \Omega(\log d)$ for random order streams is nearly tight for Price's analysis as we obtain a simple instance with $R = \Omega(\log d/\log\log d)$ for which Price's algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector $v_1$.

Serialization-based methods, which serialize the 3D voxels and group them into multiple sequences before inputting to Transformers, have demonstrated their effectiveness in 3D object detection. However, serializing 3D voxels into 1D sequences will inevitably sacrifice the voxel spatial proximity. Such an issue is hard to be addressed by enlarging the group size with existing serialization-based methods due to the quadratic complexity of Transformers with feature sizes. Inspired by the recent advances of state space models (SSMs), we present a Voxel SSM, termed as Voxel Mamba, which employs a group-free strategy to serialize the whole space of voxels into a single sequence. The linear complexity of SSMs encourages our group-free design, alleviating the loss of spatial proximity of voxels. To further enhance the spatial proximity, we propose a Dual-scale SSM Block to establish a hierarchical structure, enabling a larger receptive field in the 1D serialization curve, as well as more complete local regions in 3D space. Moreover, we implicitly apply window partition under the group-free framework by positional encoding, which further enhances spatial proximity by encoding voxel positional information. Our experiments on Waymo Open Dataset and nuScenes dataset show that Voxel Mamba not only achieves higher accuracy than state-of-the-art methods, but also demonstrates significant advantages in computational efficiency. The source code is available at https://github.com/gwenzhang/Voxel-Mamba.

Parameter-efficient finetuning (PEFT) methods seek to adapt large neural models via updates to a small number of *weights*. However, much prior interpretability work has shown that *representations* encode rich semantic information, suggesting that editing representations might be a more powerful alternative. We pursue this hypothesis by developing a family of **Representation Finetuning (ReFT)** methods. ReFT methods operate on a frozen base model and learn task-specific interventions on hidden representations. We define a strong instance of the ReFT family, Low-rank Linear Subspace ReFT (LoReFT), and we identify an ablation of this method that trades some performance for increased efficiency. Both are drop-in replacements for existing PEFTs and learn interventions that are 15x--65x more parameter-efficient than LoRA. We showcase LoReFT on eight commonsense reasoning tasks, four arithmetic reasoning tasks, instruction-tuning, and GLUE. In all these evaluations, our ReFTs deliver the best balance of efficiency and performance, and almost always outperform state-of-the-art PEFTs. Upon publication, we will publicly release our generic ReFT training library.

Sample efficiency in Reinforcement Learning (RL) has traditionally been driven by algorithmic enhancements. In this work, we demonstrate that scaling can also lead to substantial improvements. We conduct a thorough investigation into the interplay of scaling model capacity and domain-specific RL enhancements. These empirical findings inform the design choices underlying our proposed BRO (Bigger, Regularized, Optimistic) algorithm. The key innovation behind BRO is that strong regularization allows for effective scaling of the critic networks, which, paired with optimistic exploration, leads to superior performance. BRO achieves state-of-the-art results, significantly outperforming the leading model-based and model-free algorithms across 40 complex tasks from the DeepMind Control, MetaWorld, and MyoSuite benchmarks. BRO is the first model-free algorithm to achieve near-optimal policies in the notoriously challenging Dog and Humanoid tasks.

Convergence rate analysis for general state-space Markov chains is fundamentally important in operations research (stochastic systems) and machine learning (stochastic optimization). This problem, however, is notoriously difficult because traditional analytical methods often do not generate practically useful convergence bounds for realistic Markov chains. We propose the Deep Contractive Drift Calculator (DCDC), the first general-purpose sample-based algorithm for bounding the convergence of Markov chains to stationarity in Wasserstein distance. The DCDC has two components. First, inspired by the new convergence analysis framework in (Qu et.al, 2023), we introduce the Contractive Drift Equation (CDE), the solution of which leads to an explicit convergence bound. Second, we develop an efficient neural-network-based CDE solver. Equipped with these two components, DCDC solves the CDE and converts the solution into a convergence bound. We analyze the sample complexity of the algorithm and further demonstrate the effectiveness of the DCDC by generating convergence bounds for realistic Markov chains arising from stochastic processing networks as well as constant step-size stochastic optimization.