NeurIPS 2024 Papers

Inspired by the diversity and depth of XLand and the simplicity and minimalism of MiniGrid, we present XLand-MiniGrid, a suite of tools and grid-world environments for meta-reinforcement learning research. Written in JAX, XLand-MiniGrid is designed to be highly scalable and can potentially run on GPU or TPU accelerators, democratizing large-scale experimentation with limited resources. Along with the environments, XLand-MiniGrid provides pre-sampled benchmarks with millions of unique tasks of varying difficulty and easy-to-use baselines that allow users to quickly start training adaptive agents. In addition, we have conducted a preliminary analysis of scaling and generalization, showing that our baselines are capable of reaching millions of steps per second during training and validating that the proposed benchmarks are challenging. XLand-MiniGrid is open-source and available at \url{https://github.com/corl-team/xland-minigrid}.

Diffusion-based Video Super-Resolution (VSR) is renowned for generating perceptually realistic videos, yet it grapples with maintaining detail consistency across frames due to stochastic fluctuations. The traditional approach of pixel-level alignment is ineffective for diffusion-processed frames because of iterative disruptions. To overcome this, we introduce SeeClear--a novel VSR framework leveraging conditional video generation, orchestrated by instance-centric and channel-wise semantic controls. This framework integrates a Semantic Distiller and a Pixel Condenser, which synergize to extract and upscale semantic details from low-resolution frames. The Instance-Centric Alignment Module (InCAM) utilizes video-clip-wise tokens to dynamically relate pixels within and across frames, enhancing coherency. Additionally, the Channel-wise Texture Aggregation Memory (CaTeGory) infuses extrinsic knowledge, capitalizing on long-standing semantic textures. Our method also innovates the blurring diffusion process with the ResShift mechanism, finely balancing between sharpness and diffusion effects. Comprehensive experiments confirm our framework's advantage over state-of-the-art diffusion-based VSR techniques.

Transformer-based large language models (LLMs) typically have a limited context window, resulting in significant performance degradation when processing text beyond the length of the context window. Extensive studies have been proposed to extend the context window and achieve length extrapolation of LLMs, but there is still a lack of in-depth interpretation of these approaches. In this study, we explore the positional information within and beyond the context window for deciphering the underlying mechanism of LLMs. By using a mean-based decomposition method, we disentangle positional vectors from hidden states of LLMs and analyze their formation and effect on attention. Furthermore, when texts exceed the context window, we analyze the change of positional vectors in two settings, i.e., direct extrapolation and context window extension. Based on our findings, we design two training-free context window extension methods, positional vector replacement and attention window extension. Experimental results show that our methods can effectively extend the context window length.

The accurate prediction of geometric state evolution in complex systems is critical for advancing scientific domains such as quantum chemistry and material modeling. Traditional experimental and computational methods face challenges in terms of environmental constraints and computational demands, while current deep learning approaches still fall short in terms of precision and generality. In this work, we introduce the Geometric Diffusion Bridge (GDB), a novel generative modeling framework that accurately bridges initial and target geometric states. GDB leverages a probabilistic approach to evolve geometric state distributions, employing an equivariant diffusion bridge derived by a modified version of Doob's $h$-transform for connecting geometric states. This tailored diffusion process is anchored by initial and target geometric states as fixed endpoints and governed by equivariant transition kernels. Moreover, trajectory data can be seamlessly leveraged in our GDB framework by using a chain of equivariant diffusion bridges, providing a more detailed and accurate characterization of evolution dynamics. Theoretically, we conduct a thorough examination to confirm our framework's ability to preserve joint distributions of geometric states and capability to completely model the underlying dynamics inducing trajectory distributions with negligible error. Experimental evaluations across various real-world scenarios show that GDB surpasses existing state-of-the-art approaches, opening up a new pathway for accurately bridging geometric states and tackling crucial scientific challenges with improved accuracy and applicability.

Neural population activity often exhibits distinct dynamical features across time, which may correspond to distinct internal processes or behavior. Linear methods and variations thereof, such as Hidden Markov Model (HMM) and Switching Linear Dynamical System (SLDS), are often employed to identify discrete states with evolving neural dynamics. However, these techniques may not be able to capture the underlying nonlinear dynamics associated with neural propagation. Recurrent Neural Networks (RNNs) are commonly used to model neural dynamics thanks to their nonlinear characteristics. In our work, we develop Switching Recurrent Neural Networks (SRNN), RNNs with weights that switch across time, to reconstruct switching dynamics of neural time-series data. We apply these models to simulated data as well as cortical neural activity across mice and monkeys, which allows us to automatically detect discrete states that lead to the identification of varying neural dynamics. In a monkey reaching dataset with electrophysiology recordings, a mouse self-initiated lever pull dataset with widefield calcium recordings, and a mouse self-initiated decision making dataset with widefield calcium recording, SRNNs are able to automatically identify discrete states with distinct nonlinear neural dynamics. The inferred switches are aligned with the behavior, and the reconstructions show that the recovered neural dynamics are distinct across different stages of the behavior. We show that the neural dynamics have behaviorally-relevant switches across time and we are able to use SRNNs to successfully capture these switches and the corresponding dynamical features.

Large language models (LLMs), although having revolutionized many fields, still suffer from the challenging extrapolation problem, where the inference ability of LLMs sharply declines beyond their max training lengths. In this work, we conduct a theoretical analysis to better understand why No Position Encoding (NoPE) fails outside its effective range, as well as examining the power of Position Encoding (PE) in this context. Our findings reveal that with meticulous weave position, PE can indeed be extended beyond effective range. Our theorems establish that LLMs equipped with weave PE can achieve improved extrapolation performance without additional cost. Furthermore, we introduce a novel weave PE method, Mesa-Extrapolation, which utilizes a chunk-based triangular attention matrix and applies Stair PE to manage the final chunk. This method not only retains competitive performance but also offers substantial benefits such as significantly reduced memory demand and faster inference speed. Extensive experiments validate the effectiveness of Mesa-Extrapolation, demonstrating its potential as a scalable solution to enhancing LLMs’ applicative reach.

Learning generalist embodied agents, able to solve multitudes of tasks in different domains is a long-standing problem. Reinforcement learning (RL) is hard to scale up as it requires a complex reward design for each task. In contrast, language can specify tasks in a more natural way. Current foundation vision-language models (VLMs) generally require fine-tuning or other adaptations to be adopted in embodied contexts, due to the significant domain gap. However, the lack of multimodal data in such domains represents an obstacle to developing foundation models for embodied applications. In this work, we overcome these problems by presenting multimodal-foundation world models, able to connect and align the representation of foundation VLMs with the latent space of generative world models for RL, without any language annotations. The resulting agent learning framework, GenRL, allows one to specify tasks through vision and/or language prompts, ground them in the embodied domain’s dynamics, and learn the corresponding behaviors in imagination. As assessed through large-scale multi-task benchmarking in locomotion and manipulation domains, GenRL enables multi-task generalization from language and visual prompts. Furthermore, by introducing a data-free policy learning strategy, our approach lays the groundwork for foundational policy learning using generative world models. Website, code and data: https://mazpie.github.io/genrl/

Cross-domain retrieval (CDR) is finding increasingly broad applications across various domains. However, existing efforts have several major limitations, with the most critical being their reliance on accurate supervision. Recent studies thus focus on achieving unsupervised CDR, but they typically assume that the category spaces across domains are identical, an assumption that is often unrealistic in real-world scenarios. This is because only through dedicated and comprehensive analysis can the category composition of a data domain be obtained, which contradicts the premise of unsupervised scenarios. Therefore, in this work, we introduce the problem of **U**niversal **U**nsupervised **C**ross-**D**omain **R**etrieval (U^2CDR) for the first time and design a two-stage semantic feature learning framework to address it. In the first stage, a cross-domain unified prototypical structure is established under the guidance of an instance-prototype-mixed contrastive loss and a semantic-enhanced loss, to counteract category space differences. In the second stage, through a modified adversarial training mechanism, we ensure minimal changes for the established prototypical structure during domain alignment, enabling more accurate nearest-neighbor searching. Extensive experiments across multiple datasets and scenarios, including close-set, partial, and open-set CDR, demonstrate that our approach significantly outperforms existing state-of-the-art CDR methods and other related methods in solving U^2CDR challenges.

We introduce Neural Conditional Probability (NCP), an operator-theoretic approach to learning conditional distributions with a focus on statistical inference tasks. NCP can be used to build conditional confidence regions and extract key statistics such as conditional quantiles, mean, and covariance. It offers streamlined learning via a single unconditional training phase, allowing efficient inference without the need for retraining even when conditioning changes. By leveraging the approximation capabilities of neural networks, NCP efficiently handles a wide variety of complex probability distributions. We provide theoretical guarantees that ensure both optimization consistency and statistical accuracy. In experiments, we show that NCP with a 2-hidden-layer network matches or outperforms leading methods. This demonstrates that a a minimalistic architecture with a theoretically grounded loss can achieve competitive results, even in the face of more complex architectures.

Alignment is a procedure to fine-tune pre-trained large language models (LLMs) to follow natural language instructions and serve as helpful AI assistants. We have observed, however, that the conventional alignment process fails to enhance the factual accuracy of LLMs, and often leads to the generation of more false facts (i.e., *hallucination*). In this paper, we study how to make the LLM alignment process more factual, by first identifying factors that lead to hallucination in both alignment steps: supervised fine-tuning (SFT) and reinforcement learning (RL). In particular, we find that training the LLM on new or unfamiliar knowledge can encourage hallucination. This makes SFT less factual as it trains on human-labeled data that may be novel to the LLM. Furthermore, reward functions used in standard RL often inadequately capture factuality and favor longer and more detailed responses, which inadvertently promote hallucination. Based on these observations, we propose *FactuaLity-aware AlignMEnt*, comprised of *factuality-aware SFT* and *factuality-aware RL* through direct preference optimization. Experiments show that our proposed *FLAME* guides LLMs to output more factual responses while maintaining their instruction-following capability.

In this paper, we approach an overlooked yet critical task Graph2Image: generating images from multimodal attributed graphs (MMAGs). This task poses significant challenges due to the explosion in graph size, dependencies among graph entities, and the need for controllability in graph conditions. To address these challenges, we propose a graph context-conditioned diffusion model called InstructG2I. InstructG2I first exploits the graph structure and multimodal information to conduct informative neighbor sampling by combining personalized page rank and re-ranking based on vision-language features. Then, a graph QFormer encoder adaptively encodes the graph nodes into an auxiliary set of graph prompts to guide the denoising process of diffusion. Finally, we propose graph classifier-free guidance, enabling controllable generation by varying the strength of graph guidance and multiple connected edges to a node. Extensive experiments conducted on three datasets from different domains demonstrate the effectiveness and controllability of our approach. The code is available at https://github.com/PeterGriffinJin/InstructG2I.

The past decade has witnessed an increasing demand for enhancing image quality through exposure, and as a crucial prerequisite in this endeavor, Image Exposure Assessment (IEA) is now being accorded serious attention. However, IEA encounters two persistent challenges that remain unresolved over the long term: the accuracy and generalizability of No-reference IEA are inadequate for practical applications; the scope of IEA is confined to qualitative and quantitative analysis of the entire image or subimage, such as providing only a score to evaluate the exposure level, thereby lacking intuitive and precise fine-grained evaluation for complex exposure conditions. The objective of this paper is to address the persistent bottleneck challenges from three perspectives: model, dataset, and benchmark. 1) Model-level: we propose a Pixel-level IEA Network (P-IEANet) that utilizes Haar discrete wavelet transform (DWT) to analyze, decompose, and assess exposure from both lightness and structural perspectives, capable of generating pixel-level assessment results under no-reference scenarios. 2) Dataset-level: we elaborately build an exposure-oriented dataset, IEA40K, containing 40K images, covering 17 typical lighting scenarios, 27 devices, and 50+ scenes, with each image densely annotated by more than 10 experts with pixel-level labels. 3) Benchmark-level: we develop a comprehensive benchmark of 19 methods based on IEA40K. Our P-IEANet not only achieves state-of-the-art (SOTA) performance on all metrics but also seamlessly integrates with existing exposure correction and lighting enhancement methods. To our knowledge, this is the first work that explicitly emphasizes assessing complex image exposure problems at a pixel level, providing a significant boost to the IEA and exposure-related community. The code and dataset are available in \href{https://github.com/mRobotit/Pixel-level-No-reference-Image-Exposure-Assessment}{\textcolor{red} {here}}.

Single-image relighting is a challenging task that involves reasoning about the complex interplay between geometry, materials, and lighting. Many prior methods either support only specific categories of images, such as portraits, or require special capture conditions, like using a flashlight. Alternatively, some methods explicitly decompose a scene into intrinsic components, such as normals and BRDFs, which can be inaccurate or under-expressive. In this work, we propose a novel end-to-end 2D relighting diffusion model, called Neural Gaffer, that takes a single image of any object and can synthesize an accurate, high-quality relit image under any novel environmental lighting condition, simply by conditioning an image generator on a target environment map, without an explicit scene decomposition. Our method builds on a pre-trained diffusion model, and fine-tunes it on a synthetic relighting dataset, revealing and harnessing the inherent understanding of lighting present in the diffusion model. We evaluate our model on both synthetic and in-the-wild Internet imagery and demonstrate its advantages in terms of generalization and accuracy. Moreover, by combining with other generative methods, our model enables many downstream 2D tasks, such as text-based relighting and object insertion. Our model can also operate as a strong relighting prior for 3D tasks, such as relighting a radiance field.

Recently, the strong latent Diffusion Probabilistic Model (DPM) has been applied to high-quality Text-to-Image (T2I) generation (e.g., Stable Diffusion), by injecting the encoded target text prompt into the gradually denoised diffusion image generator. Despite the success of DPM in practice, the mechanism behind it remains to be explored. To fill this blank, we begin by examining the intermediate statuses during the gradual denoising generation process in DPM. The empirical observations indicate, the shape of image is reconstructed after the first few denoising steps, and then the image is filled with details (e.g., texture). The phenomenon is because the low-frequency signal (shape relevant) of the noisy image is not corrupted until the final stage in the forward process (initial stage of generation) of adding noise in DPM. Inspired by the observations, we proceed to explore the influence of each token in the text prompt during the two stages. After a series of experiments of T2I generations conditioned on a set of text prompts. We conclude that in the earlier generation stage, the image is mostly decided by the special token [\texttt{EOS}] in the text prompt, and the information in the text prompt is already conveyed in this stage. After that, the diffusion model completes the details of generated images by information from themselves. Finally, we propose to apply this observation to accelerate the process of T2I generation by properly removing text guidance, which finally accelerates the sampling up to 25\%+.

Large Language Models (LLMs) are consistently improving at increasingly realistic software engineering (SE) tasks. In real-world software stacks, significant SE effort is spent developing foundational system software like the Linux kernel. Unlike application-level software, a systems codebase like Linux is multilingual (low-level C/Assembly/Bash/Rust); gigantic (>20 million lines); critical (impacting billions of devices worldwide), and highly concurrent (involving complex multi-threading). To evaluate if machine learning (ML) models are useful while developing such large-scale systems-level software, we introduce kGym (a platform) and kBench (a dataset). The kGym platform provides a SE environment for large-scale experiments on the Linux kernel, including compiling and running kernels in parallel across several virtual machines, detecting operations and crashes, inspecting logs, and querying and patching the code base. We use kGym to facilitate evaluation on kBench, a crash resolution benchmark drawn from real-world Linux kernel bugs. An example bug in kBench contains crashing stack traces, a bug-reproducer file, a developer-written fix, and other associated data. To understand current performance, we conduct baseline experiments by prompting LLMs to resolve Linux kernel crashes. Our initial evaluations reveal that the best performing LLM achieves 0.72\% and 5.38\% in the unassisted and assisted (i.e., buggy files disclosed to the model) settings, respectively. These results highlight the need for further research to enhance model performance in SE tasks. Improving performance on kBench requires models to master new learning skills, including understanding the cause of crashes and repairing faults, writing memory-safe and hardware-aware code, and understanding concurrency. As a result, this work opens up multiple avenues of research at the intersection of machine learning and systems software.

Large-scale multimodal models have shown excellent performance over a series of tasks powered by the large corpus of paired multimodal training data. Generally, they are always assumed to receive modality-complete inputs. However, this simple assumption may not always hold in the real world due to privacy constraints or collection difficulty, where models pretrained on modality-complete data easily demonstrate degraded performance on missing-modality cases. To handle this issue, we refer to prompt learning to adapt large pretrained multimodal models to handle missing-modality scenarios by regarding different missing cases as different types of input. Instead of only prepending independent prompts to the intermediate layers, we present to leverage the correlations between prompts and input features and excavate the relationships between different layers of prompts to carefully design the instructions. We also incorporate the complementary semantics of different modalities to guide the prompting design for each modality. Extensive experiments on three commonly-used datasets consistently demonstrate the superiority of our method compared to the previous approaches upon different missing scenarios. Plentiful ablations are further given to show the generalizability and reliability of our method upon different modality-missing ratios and types.

This paper explores the problem of class-generalizable anomaly detection, where the objective is to train one unified AD model that can generalize to detect anomalies in diverse classes from different domains without any retraining or fine-tuning on the target data. Because normal feature representations vary significantly across classes, this will cause the widely studied one-for-one AD models to be poorly classgeneralizable (i.e., performance drops dramatically when used for new classes). In this work, we propose a simple but effective framework (called ResAD) that can be directly applied to detect anomalies in new classes. Our main insight is to learn the residual feature distribution rather than the initial feature distribution. In this way, we can significantly reduce feature variations. Even in new classes, the distribution of normal residual features would not remarkably shift from the learned distribution. Therefore, the learned model can be directly adapted to new classes. ResAD consists of three components: (1) a Feature Converter that converts initial features into residual features; (2) a simple and shallow Feature Constraintor that constrains normal residual features into a spatial hypersphere for further reducing feature variations and maintaining consistency in feature scales among different classes; (3) a Feature Distribution Estimator that estimates the normal residual feature distribution, anomalies can be recognized as out-of-distribution. Despite the simplicity, ResAD can achieve remarkable anomaly detection results when directly used in new classes. The code is available at https://github.com/xcyao00/ResAD.

Numerous studies have demonstrated that the cognitive processes of the human brain can be modeled using the Bayesian theorem for probabilistic inference of the external world. Spiking neural networks (SNNs), capable of performing Bayesian computation with greater physiological interpretability, offer a novel approach to distributed information processing in the cortex. However, applying these models to real-world scenarios to harness the advantages of brain-like computation remains a challenge. Recently, bio-inspired sensors with high dynamic range and ultra-high temporal resolution have been widely used in extreme vision scenarios. Event streams, generated by various types of motion, represent spatiotemporal data. Inferring motion targets from these streams without prior knowledge remains a difficult task. The Bayesian inference-based Expectation-Maximization (EM) framework has proven effective for motion segmentation in event streams, allowing for decoupling without prior information about the motion or its source. This work demonstrates that Bayesian computation based on spiking neural networks can decouple event streams of different motions. The Winner-Take-All (WTA) circuits in the constructed network implement an equivalent E-step, while STDP achieves an equivalent optimization in M-step. Through theoretical analysis and experiments, we show that STDP-based learning can maximize the contrast of warped events under mixed motion models. Experimental results show that the constructed spiking network can effectively segment the motion contained in event streams.

Recently, Anil et al. (2024) show that many-shot (up to hundreds of) demonstrations can jailbreak state-of-the-art LLMs by exploiting their long-context capability. Nevertheless, is it possible to use few-shot demonstrations to efficiently jailbreak LLMs within limited context sizes? While the vanilla few-shot jailbreaking may be inefficient, we propose improved techniques such as injecting special system tokens like [/INST] and employing demo-level random search from a collected demo pool. These simple techniques result in surprisingly effective jailbreaking against aligned LLMs (even with advanced defenses). For example, our method achieves >80% (mostly >95%) ASRs on Llama-2-7B and Llama-3-8B without multiple restarts, even if the models are enhanced by strong defenses such as perplexity detection and/or SmoothLLM, which is challenging for suffix-based jailbreaking. In addition, we conduct comprehensive and elaborate (e.g., making sure to use correct system prompts) evaluations against other aligned LLMs and advanced defenses, where our method consistently achieves nearly 100% ASRs. Our code is available at https://github.com/sail-sg/I-FSJ.