NeurIPS 2024 Papers

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.

Graph representation learning (GRL) is critical for extracting insights from complex network structures, but it also raises security concerns due to potential privacy vulnerabilities in these representations. This paper investigates the structural vulnerabilities in graph neural models where sensitive topological information can be inferred through edge reconstruction attacks. Our research primarily addresses the theoretical underpinnings of similarity-based edge reconstruction attacks (SERA), furnishing a non-asymptotic analysis of their reconstruction capacities. Moreover, we present empirical corroboration indicating that such attacks can perfectly reconstruct sparse graphs as graph size increases. Conversely, we establish that sparsity is a critical factor for SERA's effectiveness, as demonstrated through analysis and experiments on (dense) stochastic block models. Finally, we explore the resilience of private graph representations produced via noisy aggregation (NAG) mechanism against SERA. Through theoretical analysis and empirical assessments, we affirm the mitigation of SERA using NAG . In parallel, we also empirically delineate instances wherein SERA demonstrates both efficacy and deficiency in its capacity to function as an instrument for elucidating the trade-off between privacy and utility.

Deep learning based neural decoding from stereotactic electroencephalography (sEEG) would likely benefit from scaling up both dataset and model size. To achieve this, combining data across multiple subjects is crucial. However, in sEEG cohorts, each subject has a variable number of electrodes placed at distinct locations in their brain, solely based on clinical needs. Such heterogeneity in electrode number/placement poses a significant challenge for data integration, since there is no clear correspondence of the neural activity recorded at distinct sites between individuals. Here we introduce seegnificant: a training framework and architecture that can be used to decode behavior across subjects using sEEG data. We tokenize the neural activity within electrodes using convolutions and extract long-term temporal dependencies between tokens using self-attention in the time dimension. The 3D location of each electrode is then mixed with the tokens, followed by another self-attention in the electrode dimension to extract effective spatiotemporal neural representations. Subject-specific heads are then used for downstream decoding tasks. Using this approach, we construct a multi-subject model trained on the combined data from 21 subjects performing a behavioral task. We demonstrate that our model is able to decode the trial-wise response time of the subjects during the behavioral task solely from neural data. We also show that the neural representations learned by pretraining our model across individuals can be transferred in a few-shot manner to new subjects. This work introduces a scalable approach towards sEEG data integration for multi-subject model training, paving the way for cross-subject generalization for sEEG decoding.

Failures of fairness or robustness in machine learning predictive settings can be due to undesired dependencies between covariates, outcomes and auxiliary factors of variation. A common strategy to mitigate these failures is data balancing, which attempts to remove those undesired dependencies. In this work, we define conditions on the training distribution for data balancing to lead to fair or robust models. Our results display that in many cases, the balanced distribution does not correspond to selectively removing the undesired dependencies in a causal graph of the task, leading to multiple failure modes and even interference with other mitigation techniques such as regularization. Overall, our results highlight the importance of taking the causal graph into account before performing data balancing.

Predicting molecular impact on cellular function is a core challenge in therapeutic design. Phenomic experiments, designed to capture cellular morphology, utilize microscopy based techniques and demonstrate a high throughput solution for uncovering molecular impact on the cell. In this work, we learn a joint latent space between molecular structures and microscopy phenomic experiments, aligning paired samples with contrastive learning. Specifically, we study the problem of Contrastive PhenoMolecular Retrieval, which consists of zero-shot molecular structure identification conditioned on phenomic experiments. We assess challenges in multi-modal learning of phenomics and molecular modalities such as experimental batch effect, inactive molecule perturbations, and encoding perturbation concentration. We demonstrate improved multi-modal learner retrieval through (1) a uni-modal pre-trained phenomics model, (2) a novel inter sample similarity aware loss, and (3) models conditioned on a representation of molecular concentration. Following this recipe, we propose MolPhenix, a molecular phenomics model. MolPhenix leverages a pre-trained phenomics model to demonstrate significant performance gains across perturbation concentrations, molecular scaffolds, and activity thresholds. In particular, we demonstrate an 8.1 times improvement in zero shot molecular retrieval of active molecules over the previous state-of-the-art, reaching 77.33% in top-1% accuracy. These results open the door for machine learning to be applied in virtual phenomics screening, which can significantly benefit drug discovery applications.

We study episodic linear mixture MDPs with the unknown transition and adversarial rewards under full-information feedback, employing *dynamic regret* as the performance measure. We start with in-depth analyses of the strengths and limitations of the two most popular methods: occupancy-measure-based and policy-based methods. We observe that while the occupancy-measure-based method is effective in addressing non-stationary environments, it encounters difficulties with the unknown transition. In contrast, the policy-based method can deal with the unknown transition effectively but faces challenges in handling non-stationary environments. Building on this, we propose a novel algorithm that combines the benefits of both methods. Specifically, it employs (i) an *occupancy-measure-based global optimization* with a two-layer structure to handle non-stationary environments; and (ii) a *policy-based variance-aware value-targeted regression* to tackle the unknown transition. We bridge these two parts by a novel conversion. Our algorithm enjoys an $\widetilde{\mathcal{O}}(d \sqrt{H^3 K} + \sqrt{HK(H + \bar{P}_K)})$ dynamic regret, where $d$ is the feature mapping dimension, $H$ is the episode length, $K$ is the number of episodes, $\bar{P}_K$ is the non-stationarity measure. We show it is minimax optimal up to logarithmic factors by establishing a matching lower bound. To the best of our knowledge, this is the **first** work that achieves **near-optimal** dynamic regret for adversarial linear mixture MDPs with the unknown transition without prior knowledge of the non-stationarity measure.

During natural evolution, the primary visual cortex (V1) of lower mammals typically forms salt-and-pepper organizations, while higher mammals and primates develop pinwheel structures with distinct topological properties. Despite the general belief that V1 neurons primarily serve as edge detectors, the functional advantages of pinwheel structures over salt-and-peppers are not well recognized. To this end, we propose a two-dimensional self-evolving spiking neural network that integrates Hebbian-like plasticity and empirical morphological data. Through extensive exposure to image data, our network evolves from salt-and-peppers to pinwheel structures, with neurons becoming localized bandpass filters responsive to various orientations. This transformation is accompanied by an increase in visual field overlap. Our findings indicate that neurons in pinwheel centers (PCs) respond more effectively to complex spatial textures in natural images, exhibiting quicker responses than those in salt-and-pepper organizations. PCs act as first-order stage processors with heightened sensitivity and reduced latency to intricate contours, while adjacent iso-orientation domains serve as second-order stage processors that refine edge representations for clearer perception. This study presents the first theoretical evidence that pinwheel structures function as crucial detectors of spatial contour saliency in the visual cortex.

Algorithms with predictions are gaining traction across various domains, as a way to surpass traditional worst-case bounds through (machine-learned) advice. We study the canonical problem of $k$-facility location mechanism design, where the $n$ agents are strategic and might misreport their locations. We receive a prediction for each agent's location, and these predictions are crucially allowed to be only "mostly" and "approximately" correct (MAC for short): a $\delta$-fraction of the predicted locations are allowed to be arbitrarily incorrect, and the remainder of the predictions are required to be correct up to an $\varepsilon$-error. Moreover, we make no assumption on the independence of the errors. Can such "flawed" predictions allow us to beat the current best bounds for strategyproof facility location? We show how natural robustness of the $1$-median (also known as the geometric median) of a set of points leads to an algorithm for single-facility location with MAC predictions. We extend our results to a natural "balanced" variant of the $k$-facility case, and show that without balancedness, robustness completely breaks down even for $k=2$ facilities on a line. As our main result, for this "unbalanced" setting we devise a truthful random mechanism, which outperforms the best known mechanism (with no predictions) by Lu et al.~[2010]. En route, we introduce the problem of "second" facility location, in which the first facility location is already fixed. Our robustness findings may be of independent interest, as quantitative versions of classic breakdown-point results in robust statistics.

Binary analysis is a core component of many critical security tasks, including reverse engineering, malware analysis, and vulnerability detection. Manual analysis is often time-consuming, but identifying commonly-used or previously-seen functions can reduce the time it takes to understand a new file. However, given the complexity of assembly, and the NP-hard nature of determining function equivalence, this task is extremely difficult. Common approaches often use sophisticated disassembly and decompilation tools, graph analysis, and other expensive pre-processing steps to perform function similarity searches over some corpus. In this work, we identify a number of discrepancies between the current research environment and the underlying application need. To remedy this, we build a new benchmark, REFuSe-Bench, for binary function similarity detection consisting of high-quality datasets and tests that better reflect real-world use cases. In doing so, we address issues like data duplication and accurate labeling, experiment with real malware, and perform the first serious evaluation of ML binary function similarity models on Windows data. Our benchmark reveals that a new, simple baseline — one which looks at only the raw bytes of a function, and requires no disassembly or other pre-processing --- is able to achieve state-of-the-art performance in multiple settings. Our findings challenge conventional assumptions that complex models with highly-engineered features are being used to their full potential, and demonstrate that simpler approaches can provide significant value.

In recent years, there has been significant research focusing on addressing security concerns in single-modal person re-identification (ReID) systems that are based on RGB images. However, the safety of cross-modality scenarios, which are more commonly encountered in practical applications involving images captured by infrared cameras, has not received adequate attention. The main challenge in cross-modality ReID lies in effectively dealing with visual differences between different modalities. For instance, infrared images are typically grayscale, unlike visible images that contain color information. Existing attack methods have primarily focused on the characteristics of the visible image modality, overlooking the features of other modalities and the variations in data distribution among different modalities. This oversight can potentially undermine the effectiveness of these methods in image retrieval across diverse modalities. This study represents the first exploration into the security of cross-modality ReID models and proposes a universal perturbation attack specifically designed for cross-modality ReID. This attack optimizes perturbations by leveraging gradients from diverse modality data, thereby disrupting the discriminator and reinforcing the differences between modalities. We conducted experiments on three widely used cross-modality datasets, namely RegDB, SYSU, and LLCM. The results not only demonstrate the effectiveness of our method but also provide insights for future improvements in the robustness of cross-modality ReID systems.

With the widespread application of Large Language Models (LLMs) to various domains, concerns regarding the trustworthiness of LLMs in safety-critical scenarios have been raised, due to their unpredictable tendency to hallucinate and generate misinformation. Existing LLMs do not have an inherent functionality to provide the users with an uncertainty/confidence metric for each response it generates, making it difficult to evaluate trustworthiness. Although several studies aim to develop uncertainty quantification methods for LLMs, they have fundamental limitations, such as being restricted to classification tasks, requiring additional training and data, considering only lexical instead of semantic information, and being prompt-wise but not response-wise. A new framework is proposed in this paper to address these issues. Semantic density extracts uncertainty/confidence information for each response from a probability distribution perspective in semantic space. It has no restriction on task types and is "off-the-shelf" for new models and tasks. Experiments on seven state-of-the-art LLMs, including the latest Llama 3 and Mixtral-8x22B models, on four free-form question-answering benchmarks demonstrate the superior performance and robustness of semantic density compared to prior approaches.

Self-supervised large language models have demonstrated the ability to perform various tasks via in-context learning, but little is known about where the model locates the task with respect to prompt instructions and demonstration examples. In this work, we attempt to characterize the region where large language models transition from recognizing the task to performing the task. Through a series of layer-wise context-masking experiments on GPTNeo2.7B, Bloom3B, Starcoder2-7B, Llama3.1-8B, Llama3.1-8B-Instruct, on Machine Translation and Code generation, we demonstrate evidence of a "task recognition" point where the task is encoded into the input representations and attention to context is no longer necessary. Taking advantage of this redundancy results in 45% computational savings when prompting with 5 examples, and task recognition achieved at layer 14 / 32 using an example with Machine Translation. Our findings also have implications for resource and parameter efficient fine-tuning; we observe a correspondence between strong fine-tuning performance of individual LoRA layers and the task recognition layers.