NeurIPS 2024 Papers

\textit{Dataset condensation} is a newborn technique that generates a small dataset that can be used in training deep neural networks (DNNs) to lower storage and training costs. The objective of dataset condensation is to ensure that the model trained with the synthetic dataset can perform comparably to the model trained with full datasets. However, existing methods predominantly concentrate on classification tasks, posing challenges in their adaptation to time series forecasting (TS-forecasting). This challenge arises from disparities in the evaluation of synthetic data. In classification, the synthetic data is considered well-distilled if the model trained with the full dataset and the model trained with the synthetic dataset yield identical labels for the same input, regardless of variations in output logits distribution. Conversely, in TS-forecasting, the effectiveness of synthetic data distillation is determined by the distance between predictions of the two models. The synthetic data is deemed well-distilled only when all data points within the predictions are similar. Consequently, TS-forecasting has a more rigorous evaluation methodology compared to classification. To mitigate this gap, we theoretically analyze the optimization objective of dataset condensation for TS-forecasting and propose a new one-line plugin of dataset condensation for TS-forecasting designated as Dataset \textbf{Cond}ensation for \textbf{T}ime \textbf{S}eries \textbf{F}orecasting (CondTSF) based on our analysis. Plugging CondTSF into previous dataset condensation methods facilitates a reduction in the distance between the predictions of the model trained with the full dataset and the model trained with the synthetic dataset, thereby enhancing performance. We conduct extensive experiments on eight commonly used time series datasets. CondTSF consistently improves the performance of all previous dataset condensation methods across all datasets, particularly at low condensing ratios.

The proliferation of open-source Large Language Models (LLMs) from various institutions has highlighted the urgent need for comprehensive evaluation methods. However, current evaluation platforms, such as the widely recognized HuggingFace open LLM leaderboard, neglect a crucial aspect -- uncertainty, which is vital for thoroughly assessing LLMs. To bridge this gap, we introduce a new benchmarking approach for LLMs that integrates uncertainty quantification. Our examination involves nine LLMs (LLM series) spanning five representative natural language processing tasks. Our findings reveal that: I) LLMs with higher accuracy may exhibit lower certainty; II) Larger-scale LLMs may display greater uncertainty compared to their smaller counterparts; and III) Instruction-finetuning tends to increase the uncertainty of LLMs. These results underscore the significance of incorporating uncertainty in the evaluation of LLMs. Our implementation is available at https://github.com/smartyfh/LLM-Uncertainty-Bench.

Computation graphs are Directed Acyclic Graphs (DAGs) where the nodes correspond to mathematical operations and are used widely as abstractions in optimizations of neural networks. The device placement problem aims to identify optimal allocations of those nodes to a set of (potentially heterogeneous) devices. Existing approaches rely on two types of architectures known as grouper-placer and encoder-placer, respectively. In this work, we bridge the gap between encoder-placer and grouper-placer techniques and propose a novel framework for the task of device placement, relying on smaller computation graphs extracted from the OpenVINO toolkit. The framework consists of five steps, including graph coarsening, node representation learning and policy optimization. It facilitates end-to-end training and takes into account the DAG nature of the computation graphs. We also propose a model variant, inspired by graph parsing networks and complex network analysis, enabling graph representation learning and jointed, personalized graph partitioning, using an unspecified number of groups. To train the entire framework, we use reinforcement learning using the execution time of the placement as a reward. We demonstrate the flexibility and effectiveness of our approach through multiple experiments with three benchmark models, namely Inception-V3, ResNet, and BERT. The robustness of the proposed framework is also highlighted through an ablation study. The suggested placements improve the inference speed for the benchmark models by up to $58.2\%$ over CPU execution and by up to $60.24\%$ compared to other commonly used baselines.

As ML models become increasingly complex and integral to high-stakes domains such as finance and healthcare, they also become more susceptible to sophisticated adversarial attacks. We investigate the threat posed by undetectable backdoors, as defined in Goldwasser et al. [2022], in models developed by insidious external expert firms. When such backdoors exist, they allow the designer of the model to sell information on how to slightly perturb their input to change the outcome of the model. We develop a general strategy to plant backdoors to obfuscated neural networks, that satisfy the security properties of the celebrated notion of indistinguishability obfuscation. Applying obfuscation before releasing neural networks is a strategy that is well motivated to protect sensitive information of the external expert firm. Our method to plant backdoors ensures that even if the weights and architecture of the obfuscated model are accessible, the existence of the backdoor is still undetectable. Finally, we introduce the notion of undetectable backdoors to language models and extend our neural network backdoor attacks to such models based on the existence of steganographic functions.

Kernel techniques are among the most influential approaches in data science and statistics. Under mild conditions, the reproducing kernel Hilbert space associated to a kernel is capable of encoding the independence of $M\ge2$ random variables. Probably the most widespread independence measure relying on kernels is the so-called Hilbert-Schmidt independence criterion (HSIC; also referred to as distance covariance in the statistics literature). Despite various existing HSIC estimators designed since its introduction close to two decades ago, the fundamental question of the rate at which HSIC can be estimated is still open. In this work, we prove that the minimax optimal rate of HSIC estimation on $\mathbb{R}^d$ for Borel measures containing the Gaussians with continuous bounded translation-invariant characteristic kernels is $\mathcal{O}\left(n^{-1/2}\right)$. Specifically, our result implies the optimality in the minimax sense of many of the most-frequently used estimators (including the U-statistic, the V-statistic, and the Nyström-based one) on $\mathbb{R}^d$.

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.

We address the problem of optimizing over functions defined on node subsets in a graph. The optimization of such functions is often a non-trivial task given their combinatorial, black-box and expensive-to-evaluate nature. Although various algorithms have been introduced in the literature, most are either task-specific or computationally inefficient and only utilize information about the graph structure without considering the characteristics of the function. To address these limitations, we utilize Bayesian Optimization (BO), a sample-efficient black-box solver, and propose a novel framework for combinatorial optimization on graphs. More specifically, we map each $k$-node subset in the original graph to a node in a new combinatorial graph and adopt a local modeling approach to efficiently traverse the latter graph by progressively sampling its subgraphs using a recursive algorithm. Extensive experiments under both synthetic and real-world setups demonstrate the effectiveness of the proposed BO framework on various types of graphs and optimization tasks, where its behavior is analyzed in detail with ablation studies.

The metric backbone of a weighted graph is the union of all-pairs shortest paths. It is obtained by removing all edges $(u,v)$ that are not the shortest path between $u$ and $v$. In networks with well-separated communities, the metric backbone tends to preserve many inter-community edges, because these edges serve as bridges connecting two communities, but tends to delete many intra-community edges because the communities are dense. This suggests that the metric backbone would dilute or destroy the community structure of the network. However, this is not borne out by prior empirical work, which instead showed that the metric backbone of real networks preserves the community structure of the original network well. In this work, we analyze the metric backbone of a broad class of weighted random graphs with communities, and we formally prove the robustness of the community structure with respect to the deletion of all the edges that are not in the metric backbone. An empirical comparison of several graph sparsification techniques confirms our theoretical finding and shows that the metric backbone is an efficient sparsifier in the presence of communities.

User intentions are typically formalized as evaluation rewards to be maximized when fine-tuning language models (LMs). Existing alignment methods, such as Direct Preference Optimization (DPO), are mainly tailored for pairwise preference data where rewards are implicitly defined rather than explicitly given. In this paper, we introduce a general framework for LM alignment, leveraging Noise Contrastive Estimation (NCE) to bridge the gap in handling reward datasets explicitly annotated with scalar evaluations. Our framework comprises two parallel algorithms, NCA and InfoNCA, both enabling the direct extraction of an LM policy from reward data as well as preference data. Notably, we show that the DPO loss is a special case of our proposed InfoNCA objective under pairwise preference settings, thereby integrating and extending current alignment theories. By comparing NCA and InfoNCA, we demonstrate that the well-observed decreasing-likelihood trend of DPO/InfoNCA is caused by their focus on adjusting relative likelihood across different responses. In contrast, NCA optimizes the absolute likelihood for each response, thereby effectively preventing the chosen likelihood from decreasing. We evaluate our methods in both reward and preference settings with Mistral-8$\times$7B and 7B models. Experiments suggest that InfoNCA/NCA surpasses various preference baselines when reward datasets are available. We also find NCA significantly outperforms DPO in complex reasoning tasks like math and coding.

Current post-training quantization methods for LLMs compress the weights down to 4-bits, with moderate to low degradation in accuracy. However, further reducing the number of bits or accelerating the network while avoiding large accuracy drops, especially for smaller, sub 7B models, remains an actively researched and open problem. To address this, in this work, we introduce Quantization with Binary Bases (QBB), a new approach for low-bit quantization that effectively removes (nearly) all multiplications, reducing the implementation to summations. Our novel approach works by decomposing the original weights into a set of binary (1-bit) matrices using an iterative process. For a given layer, starting from a weight matrix, we first construct an initial approximation using an analytical solution, where each new binary matrix, paired with a scaling vector, approximates the residual error of the previous estimation. Secondly, using gradient descent and a progressive learning curriculum, we find the optimal set of binary matrices and scaling vectors that minimize the $\ell_2$ distance between the produced approximation and original weights. Thirdly, as previous steps are input agnostic, we holistically optimize the scaling vectors alone, calibrating them in student-teacher fashion, with the teacher providing both the data, by autoregressive generation starting from a random token, and the target logits. When evaluated across multiple LLM families, our approach matches and outperforms all prior works, setting a new state-of-the-art result using a summation-only based approach.

Blended-target domain adaptation (BTDA), which implicitly mixes multiple sub-target domains into a fine domain, has attracted more attention in recent years. Most previously developed BTDA approaches focus on utilizing a single source domain, which makes it difficult to obtain sufficient feature information for learning domain-invariant representations. Furthermore, different feature distributions derived from different domains may increase the uncertainty of models. To overcome these issues, we propose a style adaptation and uncertainty estimation (SAUE) approach for multi-source blended-target domain adaptation (MBDA). Specifically, we exploit the extra knowledge acquired from the blended-target domain, where a similarity factor is adopted to select more useful target style information for augmenting the source features. \!Then, to mitigate the negative impact of the domain-specific attributes, we devise a function to estimate and mitigate uncertainty in category prediction. Finally, we construct a simple and lightweight adversarial learning strategy for MBDA, effectively aligning multi-source and blended-target domains without the requirements of domain labels of the target domains. Extensive experiments conducted on several challenging DA benchmarks, including the ImageCLEF-DA, Office-Home, VisDA 2017, and DomainNet datasets, demonstrate the superiority of our method over the state-of-the-art (SOTA) approaches.

The design of Artificial Neural Network (ANN) is inspired by the working patterns of the human brain. Connections in biological neural networks are sparse, as they only exist between few neurons. Meanwhile, the sparse representation in ANNs has been shown to possess significant advantages. Activation responses of ANNs are typically expected to promote sparse representations, where key signals get activated while irrelevant/redundant signals are suppressed. It can be observed that samples of each category are only correlated with sparse and specific channels in ANNs. However, existing activation mechanisms often struggle to suppress signals from other irrelevant channels entirely, and these signals have been verified to be detrimental to the network's final decision. To address the issue of channel noise interference in ANNs, a novel end-to-end trainable Dual-Perspective Activation (DPA) mechanism is proposed. DPA efficiently identifies irrelevant channels and applies channel denoising under the guidance of a joint criterion established online from both forward and backward propagation perspectives while preserving activation responses from relevant channels. Extensive experiments demonstrate that DPA successfully denoises channels and facilitates sparser neural representations. Moreover, DPA is parameter-free, fast, applicable to many mainstream ANN architectures, and achieves remarkable performance compared to other existing activation counterparts across multiple tasks and domains. Code is available at https://github.com/horrible-dong/DPA.

We present a novel method, Contextual goal-Oriented Data Augmentation (CODA), which uses commonly available unlabeled trajectories and context-goal pairs to solve Contextual Goal-Oriented (CGO) problems. By carefully constructing an action-augmented MDP that is equivalent to the original MDP, CODA creates a fully labeled transition dataset under training contexts without additional approximation error. We conduct a novel theoretical analysis to demonstrate CODA's capability to solve CGO problems in the offline data setup. Empirical results also showcase the effectiveness of CODA, which outperforms other baseline methods across various context-goal relationships of CGO problem. This approach offers a promising direction to solving CGO problems using offline datasets.

Vehicle Routing Problems (VRPs) can model many real-world scenarios and often involve complex constraints. While recent neural methods excel in constructing solutions based on feasibility masking, they struggle with handling complex constraints, especially when obtaining the masking itself is NP-hard. In this paper, we propose a novel Proactive Infeasibility Prevention (PIP) framework to advance the capabilities of neural methods towards more complex VRPs. Our PIP integrates the Lagrangian multiplier as a basis to enhance constraint awareness and introduces preventative infeasibility masking to proactively steer the solution construction process. Moreover, we present PIP-D, which employs an auxiliary decoder and two adaptive strategies to learn and predict these tailored masks, potentially enhancing performance while significantly reducing computational costs during training. To verify our PIP designs, we conduct extensive experiments on the highly challenging Traveling Salesman Problem with Time Window (TSPTW), and TSP with Draft Limit (TSPDL) variants under different constraint hardness levels. Notably, our PIP is generic to boost many neural methods, and exhibits both a significant reduction in infeasible rate and a substantial improvement in solution quality.

We study the proportional clustering problem of Chen et al. (ICML'19) and relate it to the area of multiwinner voting in computational social choice. We show that any clustering satisfying a weak proportionality notion of Brill and Peters (EC'23) simultaneously obtains the best known approximations to the proportional fairness notion of Chen et al., but also to individual fairness (Jung et al., FORC'20) and the ``core'' (Li et al., ICML'21). In fact, we show that any approximation to proportional fairness is also an approximation to individual fairness and vice versa. Finally, we also study stronger notions of proportional representation, in which deviations do not only happen to single, but multiple candidate centers, and show that stronger proportionality notions of Brill and Peters imply approximations to these stronger guarantees.

The recent rapid advancement of machine learning has been driven by increasingly powerful models with the growing availability of training data and computational resources. However, real-time decision-making tasks with limited time and sparse learning signals remain challenging. One way of improving the learning speed and performance of these agents is to leverage human guidance. In this work, we introduce GUIDE, a framework for real-time human-guided reinforcement learning by enabling continuous human feedback and grounding such feedback into dense rewards to accelerate policy learning. Additionally, our method features a simulated feedback module that learns and replicates human feedback patterns in an online fashion, effectively reducing the need for human input while allowing continual training. We demonstrate the performance of our framework on challenging tasks with sparse rewards and visual observations. Our human study involving 50 subjects offers strong quantitative and qualitative evidence of the effectiveness of our approach. With only 10 minutes of human feedback, our algorithm achieves up to 30\% increase in success rate compared to its RL baseline.

Distribution variations in machine learning, driven by the dynamic nature of deployment environments, significantly impact the performance of learning models. This paper explores endogenous distribution shifts in learning systems, where deployed models influence environments and subsequently alter data distributions. This phenomenon is formulated by a decision-dependent distribution mapping within the recently proposed framework of performative prediction (PP) Perdomo et al. (2020). We investigate the performative effect in a decentralized noncooperative game, where players aim to minimize private cost functions while simultaneously managing coupled inequality constraints. Under performativity, we examine two equilibrium concepts for the studied game: performative stable equilibrium (PSE) and Nash equilibrium (NE), and establish sufficient conditions for their existence and uniqueness. Notably, we provide the first upper bound on the distance between the PSE and NE in the literature, which is challenging to evaluate due to the absence of strong convexity on the joint cost function. Furthermore, we develop a decentralized stochastic primal-dual algorithm for efficiently computing the PSE point. By carefully bounding the performative effect in theoretical analysis, we prove that the proposed algorithm achieves sublinear convergence rates for both performative regrets and constraint violation and maintains the same order of convergence rate as the case without performativity. Numerical experiments validate the effectiveness of our algorithm and theoretical results.

We introduce a novel state-space architecture for diffusion models, effectively harnessing spatial and frequency information to enhance the inductive bias towards local features in input images for image generation tasks. While state-space networks, including Mamba, a revolutionary advancement in recurrent neural networks, typically scan input sequences from left to right, they face difficulties in designing effective scanning strategies, especially in the processing of image data. Our method demonstrates that integrating wavelet transformation into Mamba enhances the local structure awareness of visual inputs and better captures long-range relations of frequencies by disentangling them into wavelet subbands, representing both low- and high-frequency components. These wavelet-based outputs are then processed and seamlessly fused with the original Mamba outputs through a cross-attention fusion layer, combining both spatial and frequency information to optimize the order awareness of state-space models which is essential for the details and overall quality of image generation. Besides, we introduce a globally-shared transformer to supercharge the performance of Mamba, harnessing its exceptional power to capture global relationships. Through extensive experiments on standard benchmarks, our method demonstrates superior results compared to DiT and DIFFUSSM, achieving faster training convergence and delivering high-quality outputs. The codes and pretrained models are released at https://github.com/VinAIResearch/DiMSUM.git.

It is commonplace to produce application-specific models by fine-tuning large pre-trained models using a small bespoke dataset. The widespread availability of foundation model checkpoints on the web poses considerable risks, including the vulnerability to backdoor attacks. In this paper, we unveil a new vulnerability: the privacy backdoor attack. This black-box privacy attack aims to amplify the privacy leakage that arises when fine-tuning a model: when a victim fine-tunes a backdoored model, their training data will be leaked at a significantly higher rate than if they had fine-tuned a typical model. We conduct extensive experiments on various datasets and models, including both vision-language models (CLIP) and large language models, demonstrating the broad applicability and effectiveness of such an attack. Additionally, we carry out multiple ablation studies with different fine-tuning methods and inference strategies to thoroughly analyze this new threat. Our findings highlight a critical privacy concern within the machine learning community and call for a re-evaluation of safety protocols in the use of open-source pre-trained models.