NeurIPS 2024 Papers

Dichotomous Image Segmentation (DIS) tasks require highly precise annotations, and traditional dataset creation methods are labor intensive, costly, and require extensive domain expertise. Although using synthetic data for DIS is a promising solution to these challenges, current generative models and techniques struggle with the issues of scene deviations, noise-induced errors, and limited training sample variability. To address these issues, we introduce a novel approach, Mask Factory, which provides a scalable solution for generating diverse and precise datasets, markedly reducing preparation time and costs. We first introduce a general mask editing method that combines rigid and non-rigid editing techniques to generate high-quality synthetic masks. Specially, rigid editing leverages geometric priors from diffusion models to achieve precise viewpoint transformations under zero-shot conditions, while non-rigid editing employs adversarial training and self-attention mechanisms for complex, topologically consistent modifications. Then, we generate pairs of high-resolution image and accurate segmentation mask using a multi-conditional control generation method. Finally, our experiments on the widely-used DIS5K dataset benchmark demonstrate superior performance in quality and efficiency compared to existing methods. The code is available at https://qian-hao-tian.github.io/MaskFactory/.

We address a generalization of the bandit with knapsacks problem, where a learner aims to maximize rewards while satisfying an arbitrary set of long-term constraints. Our goal is to design best-of-both-worlds algorithms that perform optimally under both stochastic and adversarial constraints. Previous works address this problem via primal-dual methods, and require some stringent assumptions, namely the Slater's condition, and in adversarial settings, they either assume knowledge of a lower bound on the Slater's parameter, or impose strong requirements on the primal and dual regret minimizers such as requiring weak adaptivity. We propose an alternative and more natural approach based on optimistic estimations of the constraints. Surprisingly, we show that estimating the constraints with an UCB-like approach guarantees optimal performances. Our algorithm consists of two main components: (i) a regret minimizer working on moving strategy sets and (ii) an estimate of the feasible set as an optimistic weighted empirical mean of previous samples. The key challenge in this approach is designing adaptive weights that meet the different requirements for stochastic and adversarial constraints. Our algorithm is significantly simpler than previous approaches, and has a cleaner analysis. Moreover, ours is the first best-of-both-worlds algorithm providing bounds logarithmic in the number of constraints. Additionally, in stochastic settings, it provides $\widetilde O(\sqrt{T})$ regret without Slater's condition.

Cyber threat intelligence (CTI) is crucial in today's cybersecurity landscape, providing essential insights to understand and mitigate the ever-evolving cyber threats. The recent rise of Large Language Models (LLMs) have shown potential in this domain, but concerns about their reliability, accuracy, and hallucinations persist. While existing benchmarks provide general evaluations of LLMs, there are no benchmarks that address the practical and applied aspects of CTI-specific tasks. To bridge this gap, we introduce CTIBench, a benchmark designed to assess LLMs' performance in CTI applications. CTIBench includes multiple datasets focused on evaluating knowledge acquired by LLMs in the cyber-threat landscape. Our evaluation of several state-of-the-art models on these tasks provides insights into their strengths and weaknesses in CTI contexts, contributing to a better understanding of LLM capabilities in CTI.

Recent advances in diffusion-based Large Restoration Models (LRMs) have significantly improved photo-realistic image restoration by leveraging the internal knowledge embedded within model weights. However, existing LRMs often suffer from the hallucination dilemma, i.e., producing incorrect contents or textures when dealing with severe degradations, due to their heavy reliance on limited internal knowledge. In this paper, we propose an orthogonal solution called the Retrieval-augmented Framework for Image Restoration (ReFIR), which incorporates retrieved images as external knowledge to extend the knowledge boundary of existing LRMs in generating details faithful to the original scene. Specifically, we first introduce the nearest neighbor lookup to retrieve content-relevant high-quality images as reference, after which we propose the cross-image injection to modify existing LRMs to utilize high-quality textures from retrieved images. Thanks to the additional external knowledge, our ReFIR can well handle the hallucination challenge and facilitate faithfully results. Extensive experiments demonstrate that ReFIR can achieve not only high-fidelity but also realistic restoration results. Importantly, our ReFIR requires no training and is adaptable to various LRMs.

Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.

The s-ID problem seeks to compute a causal effect in a specific sub-population from the observational data pertaining to the same sub population (Abouei et al., 2023). This problem has been addressed when all the variables in the system are observable. In this paper, we consider an extension of the s-ID problem that allows for the presence of latent variables. To tackle the challenges induced by the presence of latent variables in a sub-population, we first extend the classical relevant graphical definitions, such as c-components and Hedges, initially defined for the so-called ID problem (Pearl, 1995; Tian & Pearl, 2002), to their new counterparts. Subsequently, we propose a sound algorithm for the s-ID problem with latent variables.

What data or environments to use for training to improve downstream performance is a longstanding and very topical question in reinforcement learning. In particular, Unsupervised Environment Design (UED) methods have gained recent attention as their adaptive curricula promise to enable agents to be robust to in- and out-of-distribution tasks. This work investigates how existing UED methods select training environments, focusing on task prioritisation metrics. Surprisingly, despite methods aiming to maximise regret in theory, the practical approximations do not correlate with regret but with success rate. As a result, a significant portion of an agent's experience comes from environments it has already mastered, offering little to no contribution toward enhancing its abilities. Put differently, current methods fail to predict intuitive measures of *learnability*. Specifically, they are unable to consistently identify those scenarios that the agent can sometimes solve, but not always. Based on our analysis, we develop a method that directly trains on scenarios with high learnability. This simple and intuitive approach outperforms existing UED methods in several binary-outcome environments, including the standard domain of Minigrid and a novel setting closely inspired by a real-world robotics problem. We further introduce a new adversarial evaluation procedure for directly measuring robustness, closely mirroring the conditional value at risk (CVaR). We open-source all our code and present visualisations of final policies here: https://github.com/amacrutherford/sampling-for-learnability.

The rapid advancements in the development of multimodal large language models (MLLMs) have consistently led to new breakthroughs on various benchmarks. In response, numerous challenging and comprehensive benchmarks have been proposed to more accurately assess the capabilities of MLLMs. However, there is a dearth of exploration of the higher-order perceptual capabilities of MLLMs. To fill this gap, we propose the Image Implication understanding Benchmark, II-Bench, which aims to evaluate the model's higher-order perception of images. Through extensive experiments on II-Bench across multiple MLLMs, we have made significant findings. Initially, a substantial gap is observed between the performance of MLLMs and humans on II-Bench. The pinnacle accuracy of MLLMs attains 74.8%, whereas human accuracy averages 90%, peaking at an impressive 98%. Subsequently, MLLMs perform worse on abstract and complex images, suggesting limitations in their ability to understand high-level semantics and capture image details. Finally, it is observed that most models exhibit enhanced accuracy when image sentiment polarity hints are incorporated into the prompts. This observation underscores a notable deficiency in their inherent understanding of image sentiment. We believe that II-Bench will inspire the community to develop the next generation of MLLMs, advancing the journey towards expert artificial general intelligence (AGI). II-Bench is publicly available at https://huggingface.co/datasets/m-a-p/II-Bench.

Post-Translational Modifications (PTMs) are changes that occur in proteins after synthesis, influencing their structure, function, and cellular behavior. PTMs are essential in cell biology; they regulate protein function and stability, are involved in various cellular processes, and are linked to numerous diseases. A particularly interesting class of PTMs are chemical modifications such as phosphorylation introduced on amino acid side chains because they can drastically alter the physicochemical properties of the peptides once they are present. One or more PTMs can be attached to each amino acid of the peptide sequence. The most commonly applied technique to detect PTMs on proteins is bottom-up Mass Spectrometry-based proteomics (MS), where proteins are digested into peptides and subsequently analyzed using Tandem Mass Spectrometry (MS/MS). While an increasing number of machine learning models are published focusing on MS/MS-related property prediction of unmodified peptides, high-quality reference data for modified peptides is missing, impeding model development for this important class of peptides. To enable researchers to train machine learning models that can accurately predict the properties of modified peptides, we introduce four high-quality labeled datasets for applying machine and deep learning to tasks in MS-based proteomics. The four datasets comprise several subgroups of peptides with 1.2 million unique modified peptide sequences and 30 unique pairs of (amino-acid, PTM), covering both experimentally introduced and naturally occurring modifications on various amino acids. We evaluate the utility and importance of the dataset by providing benchmarking results on models trained with and without modifications and highlighting the impact of including modified sequences on downstream tasks. We demonstrate that predicting the properties of modified peptides is more challenging but has a broad impact since they are often the core of protein functionality and its regulation, and they have a potential role as biomarkers in clinical applications. Our datasets contribute to applied machine learning in proteomics by enabling the research community to experiment with methods to encode PTMs as model inputs and to benchmark against reference data for model comparison. With a proper data split for three common tasks in proteomics, we provide a robust way to evaluate model performance and assess generalization on unseen modified sequences.

In this paper, we present a novel data-free method for merging neural networks in weight space. Our method optimizes for the permutations of network neurons while ensuring global coherence across all layers, and it outperforms recent layer-local approaches in a set of challenging scenarios. We then generalize the formulation to the $N$-models scenario to enforce cycle consistency of the permutations with guarantees, allowing circular compositions of permutations to be computed without accumulating error along the path. We qualitatively and quantitatively motivate the need for such a constraint, showing its benefits when merging homogeneous sets of models in scenarios spanning varying architectures and datasets. We finally show that, when coupled with activation renormalization, the approach yields the best results in the task.

Global polynomial optimization is an important tool across applied mathematics, with many applications in operations research, engineering, and the physical sciences. In various settings, the polynomials depend on external parameters that may be random. We discuss a stochastic sum-of-squares (S-SOS) algorithm based on the sum-of-squares hierarchy that constructs a series of semidefinite programs to jointly find strict lower bounds on the global minimum and extracts candidates for parameterized global minimizers. We prove quantitative convergence of the hierarchy as the degree increases and use it to solve unconstrained and constrained polynomial optimization problems parameterized by random variables. By employing n-body priors from condensed matter physics to induce sparsity, we can use S-SOS to produce solutions and uncertainty intervals for sensor network localization problems containing up to 40 variables and semidefinite matrix sizes surpassing 800 x 800.

This paper proposes ProEdit - a simple yet effective framework for high-quality 3D scene editing guided by diffusion distillation in a novel progressive manner. Inspired by the crucial observation that multi-view inconsistency in scene editing is rooted in the diffusion model’s large feasible output space (FOS), our framework controls the size of FOS and reduces inconsistency by decomposing the overall editing task into several subtasks, which are then executed progressively on the scene. Within this framework, we design a difficulty-aware subtask decomposition scheduler and an adaptive 3D Gaussian splatting (3DGS) training strategy, ensuring high efficiency in performing each subtask. Extensive evaluation shows that our ProEdit achieves state-of-the-art results in various scenes and challenging editing tasks, all through a simple framework without any expensive or sophisticated add-ons like distillation losses, components, or training procedures. Notably, ProEdit also provides a new way to preview, control, and select the aggressivity of editing operation during the editing process.

Graph Neural Networks have achieved remarkable accuracy in semi-supervised node classification tasks. However, these results lack reliable uncertainty estimates. Conformal prediction methods provide a theoretical guarantee for node classification tasks, ensuring that the conformal prediction set contains the ground-truth label with a desired probability (e.g., 95\%). In this paper, we empirically show that for each node, aggregating the non-conformity scores of nodes with the same label can improve the efficiency of conformal prediction sets while maintaining valid marginal coverage. This observation motivates us to propose a novel algorithm named $\textit{Similarity-Navigated Adaptive Prediction Sets}$ (SNAPS), which aggregates the non-conformity scores based on feature similarity and structural neighborhood. The key idea behind SNAPS is that nodes with high feature similarity or direct connections tend to have the same label. By incorporating adaptive similar nodes information, SNAPS can generate compact prediction sets and increase the singleton hit ratio (correct prediction sets of size one). Moreover, we theoretically provide a finite-sample coverage guarantee of SNAPS. Extensive experiments demonstrate the superiority of SNAPS, improving the efficiency of prediction sets and singleton hit ratio while maintaining valid coverage.

Scaling laws with respect to the amount of training data and the number of parameters allow us to predict the cost-benefit trade-offs of pretraining language models (LMs) in different configurations. In this paper, we consider another dimension of scaling: the amount of data available at inference time. Specifically, we find that increasing the size of the datastore used by a retrieval-based LM monotonically improves language modeling and several downstream tasks without obvious saturation, such that a smaller model augmented with a large datastore outperforms a larger LM-only model on knowledge-intensive tasks. By plotting compute-optimal scaling curves with varied datastore, model, and pretraining data sizes, we show that using larger datastores can significantly improve model performance for the same training compute budget. We carry out our study by constructing a 1.4 trillion-token datastore named MassiveDS, which is the largest and the most diverse open-sourced datastore for retrieval-based LMs to date, and designing an efficient pipeline for studying datastore scaling in an accessible manner. Finally, we analyze the effect of improving the retriever, datastore quality filtering, and other design choices on our observed scaling trends. Overall, our results show that datastore size should be considered as an integral part of LM efficiency and performance trade-offs. To facilitate future research, we open-source our datastore and code at https://github.com/RulinShao/retrieval-scaling.

We present ConceptFactory, a novel scope to facilitate more efficient annotation of 3D object knowledge by recognizing 3D objects through generalized concepts (i.e. object conceptualization), aiming at promoting machine intelligence to learn comprehensive object knowledge from both vision and robotics aspects. This idea originates from the findings in human cognition research that the perceptual recognition of objects can be explained as a process of arranging generalized geometric components (e.g. cuboids and cylinders). ConceptFactory consists of two critical parts: i) ConceptFactory Suite, a unified toolbox that adopts Standard Concept Template Library (STL-C) to drive a web-based platform for object conceptualization, and ii) ConceptFactory Asset, a large collection of conceptualized objects acquired using ConceptFactory suite. Our approach enables researchers to effortlessly acquire or customize extensive varieties of object knowledge to comprehensively study different object understanding tasks. We validate our idea on a wide range of benchmark tasks from both vision and robotics aspects with state-of-the-art algorithms, demonstrating the high quality and versatility of annotations provided by our approach. Our website is available at https://apeirony.github.io/ConceptFactory.

The task of layout-to-image generation involves synthesizing images based on the captions of objects and their spatial positions. Existing methods still struggle in complex layout generation, where common bad cases include object missing, inconsistent lighting, conflicting view angles, etc. To effectively address these issues, we propose a \textbf{Hi}erarchical \textbf{Co}ntrollable (HiCo) diffusion model for layout-to-image generation, featuring object seperable conditioning branch structure. Our key insight is to achieve spatial disentanglement through hierarchical modeling of layouts. We use a multi branch structure to represent hierarchy and aggregate them in fusion module. To evaluate the performance of multi-objective controllable layout generation in natural scenes, we introduce the HiCo-7K benchmark, derived from the GRIT-20M dataset and manually cleaned. https://github.com/360CVGroup/HiCo_T2I.

Recent breakthroughs in vision-language models (VLMs) emphasize the necessity of benchmarking human preferences in real-world multimodal interactions. To address this gap, we launched WildVision-Arena (WV-Arena), an online platform that collects human preferences to evaluate VLMs. We curated WV-Bench by selecting 500 high-quality samples from 8,000 user submissions in WV-Arena. WV-Bench uses GPT-4 as the judge to compare each VLM with Claude-3-Sonnet, achieving a Spearman correlation of 0.94 with the WV-Arena Elo. This significantly outperforms other benchmarks like MMVet, MMMU, and MMStar. Our comprehensive analysis of 20K real-world interactions reveals important insights into the failure cases of top-performing VLMs. For example, we find that although GPT-4V surpasses many other models like Reka-Flash, Opus, and Yi-VL-Plus in simple visual recognition and reasoning tasks, it still faces challenges with subtle contextual cues, spatial reasoning, visual imagination, and expert domain knowledge. Additionally, current VLMs exhibit issues with hallucinations and safety when intentionally provoked. We are releasing our chat and feedback data to further advance research in the field of VLMs.

We build interpretable and lightweight transformer-like neural networks by unrolling iterative optimization algorithms that minimize graph smoothness priors---the quadratic graph Laplacian regularizer (GLR) and the $\ell_1$-norm graph total variation (GTV)---subject to an interpolation constraint. The crucial insight is that a normalized signal-dependent graph learning module amounts to a variant of the basic self-attention mechanism in conventional transformers. Unlike "black-box" transformers that require learning of large key, query and value matrices to compute scaled dot products as affinities and subsequent output embeddings, resulting in huge parameter sets, our unrolled networks employ shallow CNNs to learn low-dimensional features per node to establish pairwise Mahalanobis distances and construct sparse similarity graphs. At each layer, given a learned graph, the target interpolated signal is simply a low-pass filtered output derived from the minimization of an assumed graph smoothness prior, leading to a dramatic reduction in parameter count. Experiments for two image interpolation applications verify the restoration performance, parameter efficiency and robustness to covariate shift of our graph-based unrolled networks compared to conventional transformers.

The proliferation of large language models (LLMs) has led to the adoption of Mixture-of-Experts (MoE) architectures that dynamically leverage specialized subnetworks for improved efficiency and performance. Despite their benefits, MoE models face significant challenges during inference, including inefficient memory management and suboptimal batching, due to misaligned design choices between the model architecture and the system policies. Furthermore, the conventional approach of training MoEs from scratch is increasingly prohibitive in terms of cost. In this paper, we propose a novel framework $\textit{Read-ME}$ that transforms pre-trained dense LLMs into smaller MoE models (in contrast to ``upcycling" generalist MoEs), avoiding the high costs of ground-up training. Our approach employs activation sparsity to extract experts. To compose experts, we examine the widely-adopted layer-wise router design and show its redundancy, and thus we introduce the pre-gating router decoupled from the MoE backbone that facilitates system-friendly pre-computing and lookahead scheduling, enhancing expert-aware batching and caching. Our codesign therefore addresses critical gaps on both the algorithmic and system fronts, establishing a scalable and efficient alternative for LLM inference in resource-constrained settings. $\textit{Read-ME}$ outperforms other popular open-source dense models of similar scales, achieving improvements of up to 10.1\% on MMLU, and improving mean end-to-end latency up to 6.1\%. Codes are available at: \url{https://github.com/VITA-Group/READ-ME}.