NeurIPS 2024 论文列表

In this work, we propose a training-free method to inject visual prompts into Multimodal Large Language Models (MLLMs) through learnable latent variable optimization. We observe that attention, as the core module of MLLMs, connects text prompt tokens and visual tokens, ultimately determining the final results. Our approach involves adjusting visual tokens from the MLP output during inference, controlling the attention response to ensure text prompt tokens attend to visual tokens in referring regions. We optimize a learnable latent variable based on an energy function, enhancing the strength of referring regions in the attention map. This enables detailed region description and reasoning without the need for substantial training costs or model retraining. Our method offers a promising direction for integrating referring abilities into MLLMs, and supports referring with box, mask, scribble and point. The results demonstrate that our method exhibits out-of-domain generalization and interpretability.

Large Language Models (LLMs) are widely used for knowledge-seeking purposes yet suffer from hallucinations. The knowledge boundary of an LLM limits its factual understanding, beyond which it may begin to hallucinate. Investigating the perception of LLMs' knowledge boundary is crucial for detecting hallucinations and LLMs' reliable generation. Current studies perceive LLMs' knowledge boundary on questions with concrete answers (close-ended questions) while paying limited attention to semi-open-ended questions that correspond to many potential answers. Some researchers achieve it by judging whether the question is answerable or not. However, this paradigm is not so suitable for semi-open-ended questions, which are usually ``partially answerable questions'' containing both answerable answers and ambiguous (unanswerable) answers. Ambiguous answers are essential for knowledge-seeking, but it may go beyond the knowledge boundary of LLMs. In this paper, we perceive the LLMs' knowledge boundary with semi-open-ended questions by discovering more ambiguous answers. First, we apply an LLM-based approach to construct semi-open-ended questions and obtain answers from a target LLM. Unfortunately, the output probabilities of mainstream black-box LLMs are inaccessible to sample more low-probability ambiguous answers. Therefore, we apply an open-sourced auxiliary model to explore ambiguous answers for the target LLM. We calculate the nearest semantic representation for existing answers to estimate their probabilities, with which we reduce the generation probability of high-probability existing answers to achieve a more effective generation. Finally, we compare the results from the RAG-based evaluation and LLM self-evaluation to categorize four types of ambiguous answers that are beyond the knowledge boundary of the target LLM. Following our method, we construct a dataset to perceive the knowledge boundary for GPT-4. We find that GPT-4 performs poorly on semi-open-ended questions and is often unaware of its knowledge boundary. Besides, our auxiliary model, LLaMA-2-13B, is effective in discovering many ambiguous answers, including correct answers neglected by GPT-4 and delusive wrong answers GPT-4 struggles to identify.

LLMs show remarkable emergent abilities, such as inferring concepts from presumably out-of-distribution prompts, known as in-context learning. Though this success is often attributed to the Transformer architecture, our systematic understanding is limited. In complex real-world data sets, even defining what is out-of-distribution is not obvious. To better understand the OOD behaviour of autoregressive LLMs, we focus on formal languages, which are defined by the intersection of rules. We define a new scenario of OOD compositional generalization, termed \textit{rule extrapolation}. Rule extrapolation describes OOD scenarios, where the prompt violates at least one rule. We evaluate rule extrapolation in formal languages with varying complexity in linear and recurrent architectures, the Transformer, and state space models to understand the architectures' influence on rule extrapolation. We also lay the first stones of a normative theory of rule extrapolation, inspired by the Solomonoff prior in algorithmic information theory.

Predicting the effects of protein mutations is crucial for analyzing protein functions and understanding genetic diseases. However, existing models struggle to effectively extract mutation-related local structure motifs from protein databases, which hinders their predictive accuracy and robustness. To tackle this problem, we design a novel retrieval-augmented framework for incorporating similar structure information in known protein structures. We create a vector database consisting of local structure motif embeddings from a pre-trained protein structure encoder, which allows for efficient retrieval of similar local structure motifs during mutation effect prediction. Our findings demonstrate that leveraging this method results in the SOTA performance across multiple protein mutation prediction datasets, and offers a scalable solution for studying mutation effects.

Data science (DS) programs, typically built on popular DS libraries (such as PyTorch and NumPy) with thousands of APIs, serve as the cornerstone for various mission-critical domains such as financial systems, autonomous driving software, and coding assistants. Recently, large language models (LLMs) have been widely applied to generate DS programs across diverse scenarios, such as assisting users for DS programming or detecting critical vulnerabilities in DS frameworks. Such applications have all operated under the assumption, that LLMs can implicitly model the numerical parameter constraints in DS library APIs and produce valid code. However, this assumption has not been rigorously studied in the literature. In this paper, we empirically investigate the proficiency of LLMs to handle these implicit numerical constraints when generating DS programs. We studied 28 widely used APIs from PyTorch and NumPy, and scrutinized the LLMs’ generation performance in different levels of granularity: full programs, all parameters, and individual parameters of a single API. We evaluated both state-of-the-art open-source and closed-source models. The results show that LLMs are great at generating simple DS programs, particularly those that follow common patterns seen in training data. However, as we increase the difficulty by providing more complex/unusual inputs, the performance of LLMs drops significantly. We also observe that GPT-4-Turbo can sustain much higher performance overall, but still cannot handle arithmetic API constraints well. In summary, while LLMs exhibit the ability to memorize common patterns of popular DS API usage through massive training, they overall lack genuine comprehension of the underlying numerical constraints.

Human visual search ability enables efficient and accurate tracking of an arbitrary moving target, which is a significant research interest in cognitive neuroscience. The recently proposed Central-Peripheral Dichotomy (CPD) theory sheds light on how humans effectively process visual information and track moving targets in complex environments. However, existing visual object tracking algorithms still fall short of matching human performance in maintaining tracking over time, particularly in complex scenarios requiring robust visual search skills. These scenarios often involve Spatio-Temporal Discontinuities (i.e., STDChallenge), prevalent in long-term tracking and global instance tracking. To address this issue, we conduct research from a human-like modeling perspective: (1) Inspired by the CPD, we pro- pose a new tracker named CPDTrack to achieve human-like visual search ability. The central vision of CPDTrack leverages the spatio-temporal continuity of videos to introduce priors and enhance localization precision, while the peripheral vision improves global awareness and detects object movements. (2) To further evaluate and analyze STDChallenge, we create the STDChallenge Benchmark. Besides, by incorporating human subjects, we establish a human baseline, creating a high- quality environment specifically designed to assess trackers’ visual search abilities in videos across STDChallenge. (3) Our extensive experiments demonstrate that the proposed CPDTrack not only achieves state-of-the-art (SOTA) performance in this challenge but also narrows the behavioral differences with humans. Additionally, CPDTrack exhibits strong generalizability across various challenging benchmarks. In summary, our research underscores the importance of human-like modeling and offers strategic insights for advancing intelligent visual target tracking. Code and models are available at https://github.com/ZhangDailing8/CPDTrack.

Data-driven generative models have emerged as promising approaches towards achieving efficient mechanical inverse design. However, due to prohibitively high cost in time and money, there is still lack of open-source and large-scale benchmarks in this field. It is mainly the case for airfoil inverse design, which requires to generate and edit diverse geometric-qualified and aerodynamic-qualified airfoils following the multimodal instructions, \emph{i.e.,} dragging points and physical parameters. This paper presents the open-source endeavors in airfoil inverse design, \emph{AFBench}, including a large-scale dataset with 200 thousand airfoils and high-quality aerodynamic and geometric labels, two novel and practical airfoil inverse design tasks, \emph{i.e.,} conditional generation on multimodal physical parameters, controllable editing, and comprehensive metrics to evaluate various existing airfoil inverse design methods. Our aim is to establish \emph{AFBench} as an ecosystem for training and evaluating airfoil inverse design methods, with a specific focus on data-driven controllable inverse design models by multimodal instructions capable of bridging the gap between ideas and execution, the academic research and industrial applications. We have provided baseline models, comprehensive experimental observations, and analysis to accelerate future research. Our baseline model is trained on an RTX 3090 GPU within 16 hours. The codebase, datasets and benchmarks will be available at \url{https://hitcslj.github.io/afbench/}.

Over the past decade, there is a growing interest in collaborative learning that can enhance AI models of multiple parties. However, it is still challenging to enhance performance them without sharing private data and models from individual parties. One recent promising approach is to develop distillation-based algorithms that exploit unlabeled public data but the results are still unsatisfactory in both theory and practice. To tackle this problem, we rigorously analyze a representative distillation-based algorithm in the view of kernel regression. This work provides the first theoretical results to prove the (nearly) minimax optimality of the nonparametric collaborative learning algorithm that does not directly share local data or models in massively distributed statistically heterogeneous environments. Inspired by our theoretical results, we also propose a practical distillation-based collaborative learning algorithm based on neural network architecture. Our algorithm successfully bridges the gap between our theoretical assumptions and practical settings with neural networks through feature kernel matching. We simulate various regression tasks to verify our theory and demonstrate the practical feasibility of our proposed algorithm.

This work presents a unified knowledge protocol, called UKnow, which facilitates knowledge-based studies from the perspective of data. Particularly focusing on visual and linguistic modalities, we categorize data knowledge into five unit types, namely, in-image, in-text, cross-image, cross-text, and image-text, and set up an efficient pipeline to help construct the multimodal knowledge graph from any data collection. Thanks to the logical information naturally contained in knowledge graph, organizing datasets under UKnow format opens up more possibilities of data usage compared to the commonly used image-text pairs. Following UKnow protocol, we collect, from public international news, a large-scale multimodal knowledge graph dataset that consists of 1,388,568 nodes (with 571,791 vision-related ones) and 3,673,817 triplets. The dataset is also annotated with rich event tags, including 11 coarse labels and 9,185 fine labels. Experiments on four benchmarks demonstrate the potential of UKnow in supporting common-sense reasoning and boosting vision-language pre-training with a single dataset, benefiting from its unified form of knowledge organization. Code, dataset, and models will be made publicly available. See Appendix to download the dataset.

Image generation has shown remarkable results in generating high-fidelity realistic images, in particular with the advancement of diffusion-based models. However, the prevalence of AI-generated images may have side effects for the machine learning community that are not clearly identified. Meanwhile, the success of deep learning in computer vision is driven by the massive dataset collected on the Internet. The extensive quantity of synthetic data being added to the Internet would become an obstacle for future researchers to collect "clean" datasets without AI-generated content. Prior research has shown that using datasets contaminated by synthetic images may result in performance degradation when used for training. In this paper, we investigate the potential impact of contaminated datasets on Online Continual Learning (CL) research. We experimentally show that contaminated datasets might hinder the training of existing online CL methods. Also, we propose Entropy Selection with Real-synthetic similarity Maximization (ESRM), a method to alleviate the performance deterioration caused by synthetic images when training online CL models. Experiments show that our method can significantly alleviate performance deterioration, especially when the contamination is severe. For reproducibility, the source code of our work is available at https://github.com/maorong-wang/ESRM.

The secretary problem is one of the fundamental problems in online decision making; a tight competitive ratio for this problem of $1/e \approx 0.368$ has been known since the 1960s. Much more recently, the study of algorithms with predictions was introduced: The algorithm is equipped with a (possibly erroneous) additional piece of information upfront which can be used to improve the algorithm's performance. Complementing previous work on secretary problems with prior knowledge, we tackle the following question: _What is the weakest piece of information that allows us to break the $1/e$ barrier?_ To this end, we introduce the secretary problem with predicted additive gap. As in the classical problem, weights are fixed by an adversary and elements appear in random order. In contrast to previous variants of predictions, our algorithm only has access to a much weaker piece of information: an _additive gap_ $c$. This gap is the difference between the highest and $k$-th highest weight in the sequence. Unlike previous pieces of advice, knowing an exact additive gap does not make the problem trivial. Our contribution is twofold. First, we show that for any index $k$ and any gap $c$, we can obtain a competitive ratio of $0.4$ when knowing the exact gap (even if we do not know $k$), hence beating the prevalent bound for the classical problem by a constant. Second, a slightly modified version of our algorithm allows to prove standard robustness-consistency properties as well as improved guarantees when knowing a range for the error of the prediction.

Image editing serves as a practical yet challenging task considering the diverse demands from users, where one of the hardest parts is to precisely describe how the edited image should look like. In this work, we present a new form of editing, termed imitative editing, to help users exercise their creativity more conveniently. Concretely, to edit an image region of interest, users are free to directly draw inspiration from some in-the-wild references (e.g., some relative pictures come across online), without having to cope with the fit between the reference and the source. Such a design requires the system to automatically figure out what to expect from the reference to perform the editing. For this purpose, we propose a generative training framework, dubbed MimicBrush, which randomly selects two frames from a video clip, masks some regions of one frame, and learns to recover the masked regions using the information from the other frame. That way, our model, developed from a diffusion prior, is able to capture the semantic correspondence between separate images in a self-supervised manner. We experimentally show the effectiveness of our method under various test cases as well as its superiority over existing alternatives. We also construct a benchmark to facilitate further research.

While Large Language Models (LLMs) have become immensely popular due to their outstanding performance on a broad range of tasks, these models are prone to producing hallucinations— outputs that are fallacious or fabricated yet often appear plausible or tenable at a glance. In this paper, we conduct a comprehensive investigation into the nature of hallucinations within LLMs and furthermore explore effective techniques for detecting such inaccuracies in various real-world settings. Prior approaches to detect hallucinations in LLM outputs, such as consistency checks or retrieval-based methods, typically assume access to multiple model responses or large databases. These techniques, however, tend to be computationally expensive in practice, thereby limiting their applicability to real-time analysis. In contrast, in this work, we seek to identify hallucinations within a single response in both white-box and black-box settings by analyzing the internal hidden states, attention maps, and output prediction probabilities of an auxiliary LLM. In addition, we also study hallucination detection in scenarios where ground-truth references are also available, such as in the setting of Retrieval-Augmented Generation (RAG). We demonstrate that the proposed detection methods are extremely compute-efficient, with speedups of up to 45x and 450x over other baselines, while achieving significant improvements in detection performance over diverse datasets.

In this study, we investigate the under-explored intervention planning aimed at disseminating accurate information within dynamic opinion networks by leveraging learning strategies. Intervention planning involves identifying key nodes (search) and exerting control (e.g., disseminating accurate/official information through the nodes) to mitigate the influence of misinformation. However, as the network size increases, the problem becomes computationally intractable. To address this, we first introduce a ranking algorithm to identify key nodes for disseminating accurate information, which facilitates the training of neural network (NN) classifiers that provide generalized solutions for the search and planning problems. Second, we mitigate the complexity of label generation—which becomes challenging as the network grows—by developing a reinforcement learning (RL)-based centralized dynamic planning framework. We analyze these NN-based planners for opinion networks governed by two dynamic propagation models. Each model incorporates both binary and continuous opinion and trust representations. Our experimental results demonstrate that the ranking algorithm-based classifiers provide plans that enhance infection rate control, especially with increased action budgets for small networks. Further, we observe that the reward strategies focusing on key metrics, such as the number of susceptible nodes and infection rates, outperform those prioritizing faster blocking strategies. Additionally, our findings reveal that graph convolutional network (GCN)-based planners facilitate scalable centralized plans that achieve lower infection rates (higher control) across various network configurations (e.g., Watts-Strogatz topology, varying action budgets, varying initial infected nodes, and varying degree of infected nodes).

As learned control policies become increasingly common in autonomous systems, there is increasing need to ensure that they are interpretable and can be checked by human stakeholders. Formal specifications have been proposed as ways to produce human-interpretable policies for autonomous systems that can still be learned from examples. Previous work showed that despite claims of interpretability, humans are unable to use formal specifications presented in a variety of ways to validate even simple robot behaviors. This work uses active learning, a standard pedagogical method, to attempt to improve humans' ability to validate policies in signal temporal logic (STL). Results show that overall validation accuracy is not high, at 65\% $\pm$ 15% (mean $\pm$ standard deviation), and that the three conditions of no active learning, active learning, and active learning with feedback do not significantly differ from each other. Our results suggest that the utility of formal specifications for human interpretability is still unsupported but point to other avenues of development which may enable improvements in system validation.

Reinforcement learning (RL) demonstrates superior potential over traditional flight control methods for fixed-wing aircraft, particularly under extreme operational conditions. However, the high demand for training samples and the lack of efficient computation in existing simulators hinder its further application. In this paper, we introduce NeuralPlane, the first benchmark platform for large-scale parallel simulations of fixed-wing aircraft. NeuralPlane significantly boosts high-fidelity simulation via GPU-accelerated Flight Dynamics Model (FDM) computation, achieving a single-step simulation time of just 0.2 seconds at a parallel scale of $10^{6}$, far exceeding current platforms. We also provide clear code templates, comprehensive evaluation/visualization tools and hierarchical frameworks for integrating RL and traditional control methods. We believe that NeuralPlane can accelerate the development of RL-based fixed-wing flight control and serve as a new challenging benchmark for the RL community. Our NeuralPlane is open-source and accessible at https://github.com/xuecy22/NeuralPlane.

Understanding how the collective activity of neural populations relates to computation and ultimately behavior is a key goal in neuroscience. To this end, statistical methods which describe high-dimensional neural time series in terms of low-dimensional latent dynamics have played a fundamental role in characterizing neural systems. Yet, what constitutes a successful method involves two opposing criteria: (1) methods should be expressive enough to capture complex nonlinear dynamics, and (2) they should maintain a notion of interpretability often only warranted by simpler linear models. In this paper, we develop an approach that balances these two objectives: the Gaussian Process Switching Linear Dynamical System (gpSLDS). Our method builds on previous work modeling the latent state evolution via a stochastic differential equation whose nonlinear dynamics are described by a Gaussian process (GP-SDEs). We propose a novel kernel function which enforces smoothly interpolated locally linear dynamics, and therefore expresses flexible -- yet interpretable -- dynamics akin to those of recurrent switching linear dynamical systems (rSLDS). Our approach resolves key limitations of the rSLDS such as artifactual oscillations in dynamics near discrete state boundaries, while also providing posterior uncertainty estimates of the dynamics. To fit our models, we leverage a modified learning objective which improves the estimation accuracy of kernel hyperparameters compared to previous GP-SDE fitting approaches. We apply our method to synthetic data and data recorded in two neuroscience experiments and demonstrate favorable performance in comparison to the rSLDS.

Although it is known that transformer language models (LMs) pass features from early layers to later layers, it is not well understood how this information is represented and routed by the model. We analyze a mechanism used in two LMs to selectively inhibit items in a context in one task, and find that it underlies a commonly used abstraction across many context-retrieval behaviors. Specifically, we find that models write into low-rank subspaces of the residual stream to represent features which are then read out by later layers, forming low-rank *communication channels* (Elhage et al., 2021) between layers. A particular 3D subspace in model activations in GPT-2 can be traversed to positionally index items in lists, and we show that this mechanism can explain an otherwise arbitrary-seeming sensitivity of the model to the order of items in the prompt. That is, the model has trouble copying the correct information from context when many items ``crowd" this limited space. By decomposing attention heads with the Singular Value Decomposition (SVD), we find that previously described interactions between heads separated by one or more layers can be predicted via analysis of their weight matrices alone. We show that it is possible to manipulate the internal model representations as well as edit model weights based on the mechanism we discover in order to significantly improve performance on our synthetic Laundry List task, which requires recall from a list, often improving task accuracy by over 20\%. Our analysis reveals a surprisingly intricate interpretable structure learned from language model pretraining, and helps us understand why sophisticated LMs sometimes fail in simple domains, facilitating future analysis of more complex behaviors.

This paper introduces the risk-sensitive control as inference (RCaI) that extends CaI by using Rényi divergence variational inference. RCaI is shown to be equivalent to log-probability regularized risk-sensitive control, which is an extension of the maximum entropy (MaxEnt) control. We also prove that the risk-sensitive optimal policy can be obtained by solving a soft Bellman equation, which reveals several equivalences between RCaI, MaxEnt control, the optimal posterior for CaI, and linearly-solvable control. Moreover, based on RCaI, we derive the risk-sensitive reinforcement learning (RL) methods: the policy gradient and the soft actor-critic. As the risk-sensitivity parameter vanishes, we recover the risk-neutral CaI and RL, which means that RCaI is a unifying framework. Furthermore, we give another risk-sensitive generalization of the MaxEnt control using Rényi entropy regularization. We show that in both of our extensions, the optimal policies have the same structure even though the derivations are very different.