NeurIPS 2024 Papers

Large language models (LLMs) are now available from cloud API providers in various sizes and configurations. While this diversity offers a broad spectrum of choices, effectively leveraging the options to optimize computational cost and performance remains challenging. In this work, we present AutoMix, an approach that strategically routes queries to larger LMs, based on the approximate correctness of outputs from a smaller LM. Central to AutoMix are two key technical contributions. First, it has a few-shot self-verification mechanism, which estimates the reliability of its own outputs without requiring extensive training. Second, given that self-verification can be noisy, it employs a POMDP based router that can effectively select an appropriately sized model, based on answer confidence. Experiments across five language models and five challenging datasets show that Automix consistently surpasses strong baselines, reducing computational cost by over 50\% for comparable performance.

Watermarking images is critical for tracking image provenance and proving ownership. With the advent of generative models, such as stable diffusion, that can create fake but realistic images, watermarking has become particularly important to make human-created images reliably identifiable. Unfortunately, the very same stable diffusion technology can remove watermarks injected using existing methods. To address this problem, we present ZoDiac, which uses a pre-trained stable diffusion model to inject a watermark into the trainable latent space, resulting in watermarks that can be reliably detected in the latent vector even when attacked. We evaluate ZoDiac on three benchmarks, MS-COCO, DiffusionDB, and WikiArt, and find that ZoDiac is robust against state-of-the-art watermark attacks, with a watermark detection rate above 98% and a false positive rate below 6.4%, outperforming state-of-the-art watermarking methods. We hypothesize that the reciprocating denoising process in diffusion models may inherently enhance the robustness of the watermark when faced with strong attacks and validate the hypothesis. Our research demonstrates that stable diffusion is a promising approach to robust watermarking, able to withstand even stable-diffusion-based attack methods. ZoDiac is open-sourced and available at https://github.com/zhanglijun95/ZoDiac.

Large language models (LLMs) have advanced to encompass extensive knowledge across diverse domains. Yet controlling what a large language model should not know is important for ensuring alignment and thus safe use. However, accurately and efficiently unlearning knowledge from an LLM remains challenging due to the potential collateral damage caused by the fuzzy boundary between retention and forgetting, and the large computational requirements for optimization across state-of-the-art models with hundreds of billions of parameters. In this work, we present \textbf{Embedding-COrrupted (ECO) Prompts}, a lightweight unlearning framework for large language models to address both the challenges of knowledge entanglement and unlearning efficiency. Instead of relying on the LLM itself to unlearn, we enforce an unlearned state during inference by employing a prompt classifier to identify and safeguard prompts to forget. We learn corruptions added to prompt embeddings via zeroth order optimization toward the unlearning objective offline and corrupt prompts flagged by the classifier during inference. We find that these embedding-corrupted prompts not only lead to desirable outputs that satisfy the unlearning objective but also closely approximate the output from a model that has never been trained on the data intended for forgetting. Through extensive experiments on unlearning, we demonstrate the superiority of our method in achieving promising unlearning at \textit{nearly zero side effects} in general domains and domains closely related to the unlearned ones. Additionally, we highlight the scalability of our method to 100 LLMs, ranging from 0.5B to 236B parameters, incurring no additional cost as the number of parameters increases. We have made our code publicly available at \url{https://github.com/chrisliu298/llm-unlearn-eco}.

Transformer-based large language models (LLMs) have successfully handled various tasks. As one fundamental module in Transformers, position encoding encodes the positional information of tokens in a sequence. Specifically, rotary position embedding (RoPE), one of the most widely used techniques, encodes the positional information by dividing the query or key value with $d$ elements into $d/2$ pairs and rotating the 2d vectors corresponding to each pair of elements. Therefore, the direction of each pair and the position-related rotation jointly determine the attention score. In this paper, we show that the direction of the 2d pair is largely affected by the angle between the corresponding weight vector pair. We theoretically show that non-orthogonal weight vector pairs lead to great attention on tokens at a certain relative position and are less sensitive to the input which may correspond to basic syntactic information. Meanwhile, the orthogonal weight vector pairs are more flexible regarding the relative position, which may correspond to high-level syntactic information. Empirical evidence supports the hypothesis that shallow layers of LLMs focus more on local syntax and deep layers focus more on high-level semantics. Furthermore, we show that LLMs fine-tuning mainly changes the pairs of weight vectors that are nearly orthogonal, i.e., the weight corresponding to high-level semantics, which enables the reduction of the number of trainable parameters during fine-tuning without sacrificing performance. We propose a method namely Angle-based Weight Selection (AWS) to reduce the fine-tuning overhead and verify the effectiveness of the proposed method on widely used Alpaca fine-tuned Llama-2.

Arbitrary-resolution image generation still remains a challenging task in AIGC, as it requires handling varying resolutions and aspect ratios while maintaining high visual quality. Existing transformer-based diffusion methods suffer from quadratic computation cost and limited resolution extrapolation capabilities, making them less effective for this task. In this paper, we propose FlowDCN, a purely convolution-based generative model with linear time and memory complexity, that can efficiently generate high-quality images at arbitrary resolutions. Equipped with a new design of learnable group-wise deformable convolution block, our FlowDCN yields higher flexibility and capability to handle different resolutions with a single model. FlowDCN achieves the state-of-the-art 4.30 sFID on $256\times256$ ImageNet Benchmark and comparable resolution extrapolation results, surpassing transformer-based counterparts in terms of convergence speed (only $\frac{1}{5}$ images), visual quality, parameters ($8\%$ reduction) and FLOPs ($20\%$ reduction). We believe FlowDCN offers a promising solution to scalable and flexible image synthesis.

Language-image pre-training is an effective technique for learning powerful representations in general domains. However, when directly turning to person representation learning, these general pre-training methods suffer from unsatisfactory performance. The reason is that they neglect critical person-related characteristics, i.e., fine-grained attributes and identities. To address this issue, we propose a novel language-image pre-training framework for person representation learning, termed PLIP. Specifically, we elaborately design three pretext tasks: 1) Text-guided Image Colorization, aims to establish the correspondence between the person-related image regions and the fine-grained color-part textual phrases. 2) Image-guided Attributes Prediction, aims to mine fine-grained attribute information of the person body in the image; and 3) Identity-based Vision-Language Contrast, aims to correlate the cross-modal representations at the identity level rather than the instance level. Moreover, to implement our pre-train framework, we construct a large-scale person dataset with image-text pairs named SYNTH-PEDES by automatically generating textual annotations. We pre-train PLIP on SYNTH-PEDES and evaluate our models by spanning downstream person-centric tasks. PLIP not only significantly improves existing methods on all these tasks, but also shows great ability in the zero-shot and domain generalization settings. The code, dataset and weight will be made publicly available.

Agda is a dependently-typed programming language and a proof assistant, pivotal in proof formalization and programming language theory. This paper extends the Agda ecosystem into machine learning territory, and, vice versa, makes Agda-related resources available to machine learning practitioners. We introduce and release a novel dataset of Agda program-proofs that is elaborate and extensive enough to support various machine learning applications -- the first of its kind. Leveraging the dataset's ultra-high resolution, which details proof states at the sub-type level, we propose a novel neural architecture targeted at faithfully representing dependently-typed programs on the basis of structural rather than nominal principles. We instantiate and evaluate our architecture in a premise selection setup, where it achieves promising initial results, surpassing strong baselines.

The persistent challenge of bias in machine learning models necessitates robust solutions to ensure parity and equal treatment across diverse groups, particularly in classification tasks. Current methods for mitigating bias often result in information loss and an inadequate balance between accuracy and fairness. To address this, we propose a novel methodology grounded in bilevel optimization principles. Our deep learning-based approach concurrently optimizes for both accuracy and fairness objectives, and under certain assumptions, achieving proven Pareto optimal solutions while mitigating bias in the trained model. Theoretical analysis indicates that the upper bound on the loss incurred by this method is less than or equal to the loss of the Lagrangian approach, which involves adding a regularization term to the loss function. We demonstrate the efficacy of our model primarily on tabular datasets such as UCI Adult and Heritage Health. When benchmarked against state-of-the-art fairness methods, our model exhibits superior performance, advancing fairness-aware machine learning solutions and bridging the accuracy-fairness gap. The implementation of FairBiNN is available on https://github.com/yazdanimehdi/FairBiNN.

Graph autoencoders (Graph-AEs) learn representations of given graphs by aiming to accurately reconstruct them. A notable application of Graph-AEs is graph-level anomaly detection (GLAD), whose objective is to identify graphs with anomalous topological structures and/or node features compared to the majority of the graph population. Graph-AEs for GLAD regard a graph with a high mean reconstruction error (i.e. mean of errors from all node pairs and/or nodes) as anomalies. Namely, the methods rest on the assumption that they would better reconstruct graphs with similar characteristics to the majority. We, however, report non-trivial counter-examples, a phenomenon we call reconstruction flip, and highlight the limitations of the existing Graph-AE-based GLAD methods. Specifically, we empirically and theoretically investigate when this assumption holds and when it fails. Through our analyses, we further argue that, while the reconstruction errors for a given graph are effective features for GLAD, leveraging the multifaceted summaries of the reconstruction errors, beyond just mean, can further strengthen the features. Thus, we propose a novel and simple GLAD method, named MUSE. The key innovation of MUSE involves taking multifaceted summaries of reconstruction errors as graph features for GLAD. This surprisingly simple method obtains SOTA performance in GLAD, performing best overall among 14 methods across 10 datasets.

Existing parameter-efficient fine-tuning (PEFT) methods have achieved significant success on vision transformers (ViTs) adaptation by improving parameter efficiency. However, the exploration of enhancing inference efficiency during adaptation remains underexplored. This limits the broader application of pre-trained ViT models, especially when the model is computationally extensive. In this paper, we propose Dynamic Tuning (DyT), a novel approach to improve both parameter and inference efficiency for ViT adaptation. Specifically, besides using the lightweight adapter modules, we propose a token dispatcher to distinguish informative tokens from less important ones, allowing the latter to dynamically skip the original block, thereby reducing the redundant computation during inference. Additionally, we explore multiple design variants to find the best practice of DyT. Finally, inspired by the mixture-of-experts (MoE) mechanism, we introduce an enhanced adapter to further boost the adaptation performance. We validate DyT across various tasks, including image/video recognition and semantic segmentation. For instance, DyT achieves superior performance compared to existing PEFT methods while evoking only 71% of their FLOPs on the VTAB-1K benchmark.

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses. In this work, we delve into the robustness analysis of representative robust GNNs and provide a unified robust estimation point of view to understand their robustness and limitations. Our novel analysis of estimation bias motivates the design of a robust and unbiased graph signal estimator. We then develop an efficient Quasi-Newton Iterative Reweighted Least Squares algorithm to solve the estimation problem, which is unfolded as robust unbiased aggregation layers in GNNs with theoretical guarantees. Our comprehensive experiments confirm the strong robustness of our proposed model under various scenarios, and the ablation study provides a deep understanding of its advantages.

Sparse Mixtures of Experts (SMoE) scales model capacity without significant increases in computational costs. However, it exhibits the low expert activation issue, i.e., only a small subset of experts are activated for optimization, leading to suboptimal performance and limiting its effectiveness in learning a larger number of experts in complex tasks. In this paper, we propose Multi-Head Mixture-of-Experts (MH-MoE). MH-MoE split each input token into multiple sub-tokens, then these sub-tokens are assigned to and processed by a diverse set of experts in parallel, and seamlessly reintegrated into the original token form. The above operations enables MH-MoE to significantly enhance expert activation while collectively attend to information from various representation spaces within different experts to deepen context understanding. Besides, it's worth noting that our MH-MoE is straightforward to implement and decouples from other SMoE frameworks, making it easy to integrate with these frameworks for enhanced performance. Extensive experimental results across different parameter scales (300M to 7B) and three pre-training tasks—English-focused language modeling, multi-lingual language modeling and masked multi-modality modeling—along with multiple downstream validation tasks, demonstrate the effectiveness of MH-MoE.

Sequence modeling faces challenges in capturing long-range dependencies across diverse tasks. Recent linear and transformer-based forecasters have shown superior performance in time series forecasting. However, they are constrained by their inherent inability to effectively address long-range dependencies in time series data, primarily due to using fixed-size inputs for prediction. Furthermore, they typically sacrifice essential temporal correlation among consecutive training samples by shuffling them into mini-batches. To overcome these limitations, we introduce a fast and effective Spectral Attention mechanism, which preserves temporal correlations among samples and facilitates the handling of long-range information while maintaining the base model structure. Spectral Attention preserves long-period trends through a low-pass filter and facilitates gradient to flow between samples. Spectral Attention can be seamlessly integrated into most sequence models, allowing models with fixed-sized look-back windows to capture long-range dependencies over thousands of steps. Through extensive experiments on 11 real-world time series datasets using 7 recent forecasting models, we consistently demonstrate the efficacy of our Spectral Attention mechanism, achieving state-of-the-art results.

Algorithms with predictions is a recent framework for decision-making under uncertainty that leverages the power of machine-learned predictions without making any assumption about their quality. The goal in this framework is for algorithms to achieve an improved performance when the predictions are accurate while maintaining acceptable guarantees when the predictions are erroneous. A serious concern with algorithms that use predictions is that these predictions can be biased and, as a result, cause the algorithm to make decisions that are deemed unfair. We show that this concern manifests itself in the classical secretary problem in the learning-augmented setting---the state-of-the-art algorithm can have zero probability of accepting the best candidate, which we deem unfair, despite promising to accept a candidate whose expected value is at least $\max\{\Omega (1) , 1 - O(\varepsilon)\}$ times the optimal value, where $\varepsilon$ is the prediction error. We show how to preserve this promise while also guaranteeing to accept the best candidate with probability $\Omega(1)$. Our algorithm and analysis are based on a new ``pegging'' idea that diverges from existing works and simplifies/unifies some of their results. Finally, we extend to the $k$-secretary problem and complement our theoretical analysis with experiments.

Unexpected stimuli induce "error" or "surprise" signals in the brain. The theory of predictive coding promises to explain these observations in terms of Bayesian inference by suggesting that the cortex implements variational inference in a probabilistic graphical model. However, when applied to machine learning tasks, this family of algorithms has yet to perform on par with other variational approaches in high-dimensional, structured inference problems. To address this, we introduce a novel predictive coding algorithm for structured generative models, that we call divide-and-conquer predictive coding (DCPC); it differs from other formulations of predictive coding, as it respects the correlation structure of the generative model and provably performs maximum-likelihood updates of model parameters, all without sacrificing biological plausibility. Empirically, DCPC achieves better numerical performance than competing algorithms and provides accurate inference in a number of problems not previously addressed with predictive coding. We provide an open implementation of DCPC in Pyro on Github.

Whole slide image (WSI) analysis is gaining prominence within the medical imaging field. Recent advances in pathology foundation models have shown the potential to extract powerful feature representations from WSIs for downstream tasks. However, these foundation models are usually designed for general-purpose pathology image analysis and may not be optimal for specific downstream tasks or cancer types. In this work, we present Concept Anchor-guided Task-specific Feature Enhancement (CATE), an adaptable paradigm that can boost the expressivity and discriminativeness of pathology foundation models for specific downstream tasks. Based on a set of task-specific concepts derived from the pathology vision-language model with expert-designed prompts, we introduce two interconnected modules to dynamically calibrate the generic image features extracted by foundation models for certain tasks or cancer types. Specifically, we design a Concept-guided Information Bottleneck module to enhance task-relevant characteristics by maximizing the mutual information between image features and concept anchors while suppressing superfluous information. Moreover, a Concept-Feature Interference module is proposed to utilize the similarity between calibrated features and concept anchors to further generate discriminative task-specific features. The extensive experiments on public WSI datasets demonstrate that CATE significantly enhances the performance and generalizability of MIL models. Additionally, heatmap and umap visualization results also reveal the effectiveness and interpretability of CATE.

The growing interest in vision-language models (VLMs) has been driven by improvements in large language models and vision transformers. Despite the abundance of literature on this subject, we observe that critical decisions regarding the design of VLMs are often not justified. We argue that these unsupported decisions impede progress in the field by making it difficult to identify which choices improve model performance. To address this issue, we conduct extensive experiments around pre-trained models, architecture choice, data, and training methods. Our consolidation of findings includes the development of Idefics2, an efficient foundational VLM of 8 billion parameters. Idefics2 achieves state-of-the-art performance within its size category across various multimodal benchmarks, and is often on par with models four times its size. We release the model (base, instructed, and chat) along with the datasets created for its training.

Success in collaborative and competitive environments, where agents must work with or against each other, requires individuals to encode the position and trajectory of themselves and others. Decades of neurophysiological experiments have shed light on how brain regions [e.g., medial entorhinal cortex (MEC), hippocampus] encode the self's position and trajectory. However, it has only recently been discovered that MEC and hippocampus are modulated by the positions and trajectories of others. To understand how encoding spatial information of multiple agents shapes neural representations, we train a recurrent neural network (RNN) model that captures properties of MEC to path integrate trajectories of two agents simultaneously navigating the same environment. We find significant differences between these RNNs and those trained to path integrate only a single agent. At the individual unit level, RNNs trained to path integrate more than one agent develop weaker grid responses, stronger border responses, and tuning for the relative position of the two agents. At the population level, they develop more distributed and robust representations, with changes in network dynamics and manifold topology. Our results provide testable predictions and open new directions with which to study the neural computations supporting spatial navigation.

Binary code is pervasive, and binary analysis is a key task in reverse engineering, malware classification, and vulnerability discovery. Unfortunately, while there exist large corpuses of malicious binaries, obtaining high-quality corpuses of benign binaries for modern systems has proven challenging (e.g., due to licensing issues). Consequently, machine learning based pipelines for binary analysis utilize either costly commercial corpuses (e.g., VirusTotal) or open-source binaries (e.g., coreutils) available in limited quantities. To address these issues, we present Assemblage: an extensible cloud-based distributed system that crawls, configures, and builds Windows PE binaries to obtain high-quality binary corpuses suitable for training state-of-the-art models in binary analysis. We have run Assemblage on AWS over the past year, producing 890k Windows PE and 428k Linux ELF binaries across 29 configurations. Assemblage is designed to be both reproducible and extensible, enabling users to publish "recipes" for their datasets, and facilitating the extraction of a wide array of features. We evaluated Assemblage by using its data to train modern learning-based pipelines for compiler provenance and binary function similarity. Our results illustrate the practical need for robust corpuses of high-quality Windows PE binaries in training modern learning-based binary analyses.