NeurIPS 2024 Papers

Integer linear programs (ILPs) are commonly employed to model diverse practical problems such as scheduling and planning. Recently, machine learning techniques have been utilized to solve ILPs. A straightforward idea is to train a model via supervised learning, with an ILP as the input and an optimal solution as the label. An ILP is symmetric if its variables can be permuted without changing the problem structure, resulting in numerous equivalent and optimal solutions. Randomly selecting an optimal solution as the label can introduce variability in the training data, which may hinder the model from learning stable patterns. In this work, we incorporate the intrinsic symmetry of ILPs and propose a novel training framework called SymILO. Specifically, we modify the learning task by introducing solution permutation along with neural network weights as learnable parameters and then design an alternating algorithm to jointly optimize the loss function. We conduct extensive experiments on ILPs involving different symmetries and the computational results demonstrate that our symmetry-aware approach significantly outperforms three existing methods----achieving $50.3\\%$, $66.5\\%$, and $45.4\\%$ average improvements, respectively.

The paper investigates the fundamental convergence properties of Sharpness-Aware Minimization (SAM), a recently proposed gradient-based optimization method (Foret et al., 2021) that significantly improves the generalization of deep neural networks. The convergence properties including the stationarity of accumulation points, the convergence of the sequence of gradients to the origin, the sequence of function values to the optimal value, and the sequence of iterates to the optimal solution are established for the method. The universality of the provided convergence analysis based on inexact gradient descent frameworks (Khanh et al., 2023b) allows its extensions to the normalized versions of SAM such as F-SAM (Li et al. 2024), VaSSO (Li & Giannakis, 2023), RSAM (Liu et al., 2022), and to the unnormalized versions of SAM such as USAM (Andriushchenko & Flammarion, 2022). Numerical experiments are conducted on classification tasks using deep learning models to confirm the practical aspects of our analysis.

Poor quality sleep can be characterized by the occurrence of events ranging from body movement to breathing impairment. Widely available earbuds equipped with sensors (also known as earables) can be combined with a sleep event detection algorithm to offer a convenient alternative to laborious clinical tests for individuals suffering from sleep disorders. Although various solutions utilizing such devices have been proposed to detect sleep events, they ignore the fact that individuals often share sleeping spaces with roommates or couples. To address this issue, we introduce DreamCatcher, the first publicly available dataset for wearer-aware sleep event algorithm development on earables. DreamCatcher encompasses eight distinct sleep events, including synchronous dual-channel audio and motion data collected from 12 pairs (24 participants) totaling 210 hours (420 hour.person) with fine-grained label. We tested multiple benchmark models on three tasks related to sleep event detection, demonstrating the usability and unique challenge of DreamCatcher. We hope that the proposed DreamCatcher can inspire other researchers to further explore efficient wearer-aware human vocal activity sensing on earables. DreamCatcher is publicly available at https://github.com/thuhci/DreamCatcher.

Bayesian optimization is a technique for efficiently optimizing unknown functions in a black-box manner. To handle practical settings where gathering data requires use of finite resources, it is desirable to explicitly incorporate function evaluation costs into Bayesian optimization policies. To understand how to do so, we develop a previously-unexplored connection between cost-aware Bayesian optimization and the Pandora's Box problem, a decision problem from economics. The Pandora's Box problem admits a Bayesian-optimal solution based on an expression called the Gittins index, which can be reinterpreted as an acquisition function. We study the use of this acquisition function for cost-aware Bayesian optimization, and demonstrate empirically that it performs well, particularly in medium-high dimensions. We further show that this performance carries over to classical Bayesian optimization without explicit evaluation costs. Our work constitutes a first step towards integrating techniques from Gittins index theory into Bayesian optimization.

Due to the heterogeneous architectures and class skew, the global representation models training in resource-adaptive federated self-supervised learning face with tricky challenges: $\textit{deviated representation abilities}$ and $\textit{inconsistent representation spaces}$. In this work, we are the first to propose a multi-teacher knowledge distillation framework, namely $\textit{FedMKD}$, to learn global representations with whole class knowledge from heterogeneous clients even under extreme class skew. Firstly, the adaptive knowledge integration mechanism is designed to learn better representations from all heterogeneous models with deviated representation abilities. Then the weighted combination of the self-supervised loss and the distillation loss can support the global model to encode all classes from clients into a unified space. Besides, the global knowledge anchored alignment module can make the local representation spaces close to the global spaces, which further improves the representation abilities of local ones. Finally, extensive experiments conducted on two datasets demonstrate the effectiveness of $\textit{FedMKD}$ which outperforms state-of-the-art baselines 4.78\% under linear evaluation on average.

Alignment techniques are critical in ensuring that large language models (LLMs) output helpful and harmless content by enforcing the LLM-generated content to align with human preferences. However, the existence of noisy preferences (NPs), where the responses are mistakenly labelled as chosen or rejected, could spoil the alignment, thus making the LLMs generate useless and even malicious content. Existing methods mitigate the issue of NPs from the loss perspective by adjusting the alignment loss based on a clean validation dataset. Orthogonal to these loss-oriented methods, we propose perplexity-aware correction (PerpCorrect) from the data perspective for robust alignment which detects and corrects NPs based on the differences between the perplexity of the chosen and rejected responses (dubbed as PPLDiff). Intuitively, a higher PPLDiff indicates a higher probability of the NP because a rejected/chosen response which is mistakenly labelled as chosen/rejected is less preferable to be generated by an aligned LLM, thus having a higher/lower perplexity. PerpCorrect works in three steps: (1) PerpCorrect aligns a surrogate LLM using the clean validation data to make the PPLDiff able to distinguish clean preferences (CPs) and NPs. (2) PerpCorrect further aligns the surrogate LLM by incorporating the reliable clean training data whose PPLDiff is extremely small and reliable noisy training data whose PPLDiff is extremely large after correction to boost the discriminatory power. (3) Detecting and correcting NPs according to the PPLDiff obtained by the aligned surrogate LLM to obtain a denoised training dataset for robust alignment. Comprehensive experiments validate that our proposed PerpCorrect can achieve state-of-the-art alignment performance under NPs. Notably, PerpCorrect demonstrates practical utility by requiring only a modest amount of validation data and being compatible with various alignment techniques. Our code is available at [PerpCorrect](https://github.com/luxinyayaya/PerpCorrect).

Federated learning (FL) is a machine learning paradigm that allows multiple FL participants (FL-PTs) to collaborate on training models without sharing private data. Due to data heterogeneity, negative transfer may occur in the FL training process. This necessitates FL-PT selection based on their data complementarity. In cross-silo FL, organizations that engage in business activities are key sources of FL-PTs. The resulting FL ecosystem has two features: (i) self-interest, and (ii) competition among FL-PTs. This requires the desirable FL-PT selection strategy to simultaneously mitigate the problems of free riders and conflicts of interest among competitors. To this end, we propose an optimal FL collaboration formation strategy -FedEgoists- which ensures that: (1) a FL-PT can benefit from FL if and only if it benefits the FL ecosystem, and (2) a FL-PT will not contribute to its competitors or their supporters. It provides an efficient clustering solution to group FL-PTs into coalitions, ensuring that within each coalition, FL-PTs share the same interest. We theoretically prove that the FL-PT coalitions formed are optimal since no coalitions can collaborate together to improve the utility of any of their members. Extensive experiments on widely adopted benchmark datasets demonstrate the effectiveness of FedEgoists compared to nine state-of-the-art baseline methods, and its ability to establish efficient collaborative networks in cross-silos FL with FL-PTs that engage in business activities.

Depth-wise Separable Convolution (DSConv) has a powerful representation even with fewer parameters and computation, leading to its adoption by almost all of the state-of-the-art CNN models. DSConv models are already compact making it hard to apply pruning, and there are few previous pruning techniques that target depth-wise convolution (DW-conv). In this paper, we present Depth-wise Separable Convolution Pruning (DEPrune), a novel pruning method applied to both point-wise and depth-wise convolutions. DEPrune is optimized by analyzing the computation of DSConv on GPUs. DEPrune employs a fine-grained pruning approach, yet it achieves the structured sparsity typically absent in fine-grained pruning, enabling practical hardware acceleration. Moreover, this method maintains a high pruning ratio without causing any accuracy drop. We additionally represent techniques that further enhance DEPrune performance: 1) balanced workload tuning (BWT), and 2) hardware-aware sparsity recalibration (HSR). Experiment results show that DEPrune achieves up to $3.74\times$ practical speedup in DSConv inference on GPUs while maintaining the accuracy of EfficientNet-B0 on ImageNet.

Sparse training stands as a landmark approach in addressing the considerable training resource demands imposed by the continuously expanding size of Deep Neural Networks (DNNs). However, the training of a sparse DNN encounters great challenges in achieving optimal generalization ability despite the efforts from the state-of-the-art sparse training methodologies. To unravel the mysterious reason behind the difficulty of sparse training, we connect the network sparsity with neural loss functions structure, and identify the cause of such difficulty lies in chaotic loss surface. In light of such revelation, we propose $S^{2} - SAM$, characterized by a **S**ingle-step **S**harpness_**A**ware **M**inimization that is tailored for **S**parse training. For the first time, $S^{2} - SAM$ innovates the traditional SAM-style optimization by approximating sharpness perturbation through prior gradient information, incurring *zero extra cost*. Therefore, $S^{2} - SAM$ not only exhibits the capacity to improve generalization but also aligns with the efficiency goal of sparse training. Additionally, we study the generalization result of $S^{2} - SAM$ and provide theoretical proof for convergence. Through extensive experiments, $S^{2} - SAM$ demonstrates its universally applicable plug-and-play functionality, enhancing accuracy across various sparse training methods. Code available at https://github.com/jjsrf/SSAM-NEURIPS2024.

Deep learning-based methods significantly advance the exploration of associations among triple-wise biological entities (e.g., drug-target protein-adverse reaction), thereby facilitating drug discovery and safeguarding human health. However, existing researches only focus on entity-centric information mapping and aggregation, neglecting the crucial role of potential association patterns among different entities. To address the above limitation, we propose a novel association pattern-aware fusion method for biological entity relationship prediction, which effectively integrates the related association pattern information into entity representation learning. Additionally, to enhance the missing information of the low-order message passing, we devise a bind-relation module that considers the strong bind of low-order entity associations. Extensive experiments conducted on three biological datasets quantitatively demonstrate that the proposed method achieves about 4%-23% hit@1 improvements compared with state-of-the-art baselines. Furthermore, the interpretability of association patterns is elucidated in detail, thus revealing the intrinsic biological mechanisms and promoting it to be deployed in real-world scenarios. Our data and code are available at https://github.com/hry98kki/PatternBERP.

Large language models (LLMs) have shown impressive performance on language tasks but face challenges when deployed on resource-constrained devices due to their extensive parameters and reliance on dense multiplications, resulting in high memory demands and latency bottlenecks. Shift-and-add reparameterization offers a promising solution by replacing costly multiplications with hardware-friendly primitives in both the attention and multi-layer perceptron (MLP) layers of an LLM. However, current reparameterization techniques require training from scratch or full parameter fine-tuning to restore accuracy, which is resource-intensive for LLMs. To address this, we propose accelerating pretrained LLMs through post-training shift-and-add reparameterization, creating efficient multiplication-free models, dubbed ShiftAddLLM. Specifically, we quantize each weight matrix into binary matrices paired with group-wise scaling factors. The associated multiplications are reparameterized into (1) shifts between activations and scaling factors and (2) queries and adds according to the binary matrices. To reduce accuracy loss, we present a multi-objective optimization method to minimize both weight and output activation reparameterization errors. Additionally, based on varying sensitivity across layers to reparameterization, we develop an automated bit allocation strategy to further reduce memory usage and latency. Experiments on five LLM families and eight tasks consistently validate the effectiveness of ShiftAddLLM, achieving average perplexity reductions of 5.6 and 22.7 points at comparable or lower latency compared to the most competitive quantized LLMs at 3- and 2-bit precision, respectively, and more than 80% memory and energy reductions over the original LLMs. Codes and models are available at https://github.com/GATECH-EIC/ShiftAddLLM.

Reinforcement Learning from Human Feedback (RLHF) has recently surged in popularity, particularly for aligning large language models and other AI systems with human intentions. At its core, RLHF can be viewed as a specialized instance of Preference-based Reinforcement Learning (PbRL), where the preferences specifically originate from human judgments rather than arbitrary evaluators. Despite this connection, most existing approaches in both RLHF and PbRL primarily focus on optimizing a mean reward objective, neglecting scenarios that necessitate risk-awareness, such as AI safety, healthcare, and autonomous driving. These scenarios often operate under a one-episode-reward setting, which makes conventional risk-sensitive objectives inapplicable. To address this, we explore and prove the applicability of two risk-aware objectives to PbRL : nested and static quantile risk objectives. We also introduce Risk-AwarePbRL (RA-PbRL), an algorithm designed to optimize both nested and static objectives. Additionally, we provide a theoretical analysis of the regret upper bounds, demonstrating that they are sublinear with respect to the number of episodes, and present empirical results to support our findings. Our code is available in https://github.com/aguilarjose11/PbRLNeurips.

Sharpness-Aware Minimization (SAM) has attracted significant attention for its effectiveness in improving generalization across various tasks. However, its underlying principles remain poorly understood. In this work, we analyze SAM’s training dynamics using the maximum eigenvalue of the Hessian as a measure of sharpness and propose a third-order stochastic differential equation (SDE), which reveals that the dynamics are driven by a complex mixture of second- and third-order terms. We show that alignment between the perturbation vector and the top eigenvector is crucial for SAM’s effectiveness in regularizing sharpness, but find that this alignment is often inadequate in practice, which limits SAM's efficiency. Building on these insights, we introduce Eigen-SAM, an algorithm that explicitly aims to regularize the top Hessian eigenvalue by aligning the perturbation vector with the leading eigenvector. We validate the effectiveness of our theory and the practical advantages of our proposed approach through comprehensive experiments. Code is available at https://github.com/RitianLuo/EigenSAM.

Warm-starting neural network training by initializing networks with previously learned weights is appealing, as practical neural networks are often deployed under a continuous influx of new data. However, it often leads to *loss of plasticity*, where the network loses its ability to learn new information, resulting in worse generalization than training from scratch. This occurs even under stationary data distributions, and its underlying mechanism is poorly understood. We develop a framework emulating real-world neural network training and identify noise memorization as the primary cause of plasticity loss when warm-starting on stationary data. Motivated by this, we propose **Direction-Aware SHrinking (DASH)**, a method aiming to mitigate plasticity loss by selectively forgetting memorized noise while preserving learned features. We validate our approach on vision tasks, demonstrating improvements in test accuracy and training efficiency.

Sharpness-aware minimization (SAM) has been shown to improve the generalization of neural networks. However, each SAM update requires _sequentially_ computing two gradients, effectively doubling the per-iteration cost compared to base optimizers like SGD. We propose a simple modification of SAM, termed SAMPa, which allows us to fully parallelize the two gradient computations. SAMPa achieves a twofold speedup of SAM under the assumption that communication costs between devices are negligible. Empirical results show that SAMPa ranks among the most efficient variants of SAM in terms of computational time. Additionally, our method consistently outperforms SAM across both vision and language tasks. Notably, SAMPa theoretically maintains convergence guarantees even for _fixed_ perturbation sizes, which is established through a novel Lyapunov function. We in fact arrive at SAMPa by treating this convergence guarantee as a hard requirement---an approach we believe is promising for developing SAM-based methods in general. Our code is available at https://github.com/LIONS-EPFL/SAMPa.

Stereo matching algorithms that leverage end-to-end convolutional neural networks have recently demonstrated notable advancements in performance. However, a common issue is their susceptibility to domain shifts, hindering their ability in generalizing to diverse, unseen realistic domains. We argue that existing stereo matching networks overlook the importance of extracting semantically and structurally meaningful features. To address this gap, we propose an effective hierarchical object-aware dual-level contrastive learning (HODC) framework for domain generalized stereo matching. Our framework guides the model in extracting features that support semantically and structurally driven matching by segmenting objects at different scales and enhances correspondence between intra- and inter-scale regions from the left feature map to the right using dual-level contrastive loss. HODC can be integrated with existing stereo matching models in the training stage, requiring no modifications to the architecture. Remarkably, using only synthetic datasets for training, HODC achieves state-of-the-art generalization performance with various existing stereo matching network architectures, across multiple realistic datasets.

Federated Instruction Tuning (FIT) advances collaborative training on decentralized data, crucially enhancing model's capability and safeguarding data privacy. However, existing FIT methods are dedicated to handling data heterogeneity across different clients (i.e., client-aware data heterogeneity), while ignoring the variation between data from different domains (i.e., domain-aware data heterogeneity). When scarce data needs supplementation from related fields, these methods lack the ability to handle domain heterogeneity in cross-domain training. This leads to domain-information catastrophic forgetting in collaborative training and therefore makes model perform sub-optimally on the individual domain. To address this issue, we introduce DoFIT, a new Domain-aware FIT framework that alleviates catastrophic forgetting through two new designs. First, to reduce interference information from the other domain, DoFIT finely aggregates overlapping weights across domains on the inter-domain server side. Second, to retain more domain information, DoFIT initializes intra-domain weights by incorporating inter-domain information into a less-conflicted parameter space. Experimental results on diverse datasets consistently demonstrate that DoFIT excels in cross-domain collaborative training and exhibits significant advantages over conventional FIT methods in alleviating catastrophic forgetting. Code is available at [this link](https://github.com/1xbq1/DoFIT).

In the face of uncertainty, the ability to *seek information* is of fundamental importance. In many practical applications, such as medical diagnosis and troubleshooting, the information needed to solve the task is not initially given, and has to be actively sought by asking follow-up questions (for example, a doctor asking a patient for more details about their symptoms). In this work, we introduce **Uncertainty of Thoughts (UoT)**, an algorithm to augment large language models with the ability to actively seek information by asking effective questions. UoT combines: 1. An *uncertainty-aware simulation approach* which enables the model to simulate possible future scenarios and how likely they are to occur, 2. *Uncertainty-based rewards* motivated by information gain which incentivizes the model to seek information, and 3. A *reward propagation scheme* to select the optimal question to ask in a way that maximizes the expected reward. In experiments on medical diagnosis, troubleshooting and the `20 Questions' game, UoT achieves an average performance improvement of 38.1% in the rate of successful task completion across multiple LLMs compared with direct prompting, and also improves efficiency (i.e., the number of questions needed to complete the task).

In this paper, we propose to create animatable avatars for interacting hands with 3D Gaussian Splatting (GS) and single-image inputs. Existing GS-based methods designed for single subjects often yield unsatisfactory results due to limited input views, various hand poses, and occlusions. To address these challenges, we introduce a novel two-stage interaction-aware GS framework that exploits cross-subject hand priors and refines 3D Gaussians in interacting areas. Particularly, to handle hand variations, we disentangle the 3D presentation of hands into optimization-based identity maps and learning-based latent geometric features and neural texture maps. Learning-based features are captured by trained networks to provide reliable priors for poses, shapes, and textures, while optimization-based identity maps enable efficient one-shot fitting of out-of-distribution hands. Furthermore, we devise an interaction-aware attention module and a self-adaptive Gaussian refinement module. These modules enhance image rendering quality in areas with intra- and inter-hand interactions, overcoming the limitations of existing GS-based methods. Our proposed method is validated via extensive experiments on the large-scale InterHand2.6M dataset, and it significantly improves the state-of-the-art performance in image quality. Code and models will be released upon acceptance.