NeurIPS 2024 Papers

Despite the success achieved by existing image generation and editing methods, current models still struggle with complex problems including intricate text prompts, and the absence of verification and self-correction mechanisms makes the generated images unreliable. Meanwhile, a single model tends to specialize in particular tasks and possess the corresponding capabilities, making it inadequate for fulfilling all user requirements. We propose GenArtist, a unified image generation and editing system, coordinated by a multimodal large language model (MLLM) agent. We integrate a comprehensive range of existing models into the tool library and utilize the agent for tool selection and execution. For a complex problem, the MLLM agent decomposes it into simpler sub-problems and constructs a tree structure to systematically plan the procedure of generation, editing, and self-correction with step-by-step verification. By automatically generating missing position-related inputs and incorporating position information, the appropriate tool can be effectively employed to address each sub-problem. Experiments demonstrate that GenArtist can perform various generation and editing tasks, achieving state-of-the-art performance and surpassing existing models such as SDXL and DALL-E 3, as can be seen in Fig. 1. We will open-source the code for future research and applications.

In this work, we introduce *Scribbles for All*, a label and training data generation algorithm for semantic segmentation trained on scribble labels. Training or fine-tuning semantic segmentation models with weak supervision has become an important topic recently and was subject to significant advances in model quality. In this setting, scribbles are a promising label type to achieve high quality segmentation results while requiring a much lower annotation effort than usual pixel-wise dense semantic segmentation annotations. The main limitation of scribbles as source for weak supervision is the lack of challenging datasets for scribble segmentation, which hinders the development of novel methods and conclusive evaluations. To overcome this limitation, *Scribbles for All* provides scribble labels for several popular segmentation datasets and provides an algorithm to automatically generate scribble labels for any dataset with dense annotations, paving the way for new insights and model advancements in the field of weakly supervised segmentation. In addition to providing datasets and algorithm, we evaluate state-of-the-art segmentation models on our datasets and show that models trained with our synthetic labels perform competitively with respect to models trained on manual labels. Thus, our datasets enable state-of-the-art research into methods for scribble-labeled semantic segmentation. The datasets, scribble generation algorithm, and baselines are publicly available at https://github.com/wbkit/Scribbles4All.

In reinforcement learning (RL), agents sequentially interact with changing environments while aiming to maximize the obtained rewards. Usually, rewards are observed only _after_ acting, and so the goal is to maximize the _expected_ cumulative reward. Yet, in many practical settings, reward information is observed in advance -- prices are observed before performing transactions; nearby traffic information is partially known; and goals are oftentimes given to agents prior to the interaction. In this work, we aim to quantifiably analyze the value of such future reward information through the lens of _competitive analysis. In particular, we measure the ratio between the value of standard RL agents and that of agents with partial future-reward lookahead. We characterize the worst-case reward distribution and derive exact ratios for the worst-case reward expectations. Surprisingly, the resulting ratios relate to known quantities in offline RL and reward-free exploration. We further provide tight bounds for the ratio given the worst-case dynamics. Our results cover the full spectrum between observing the immediate rewards before acting to observing all the rewards before the interaction starts.

While 3D Gaussian Splatting has recently become popular for neural rendering, current methods rely on carefully engineered cloning and splitting strategies for placing Gaussians, which does not always generalize and may lead to poor-quality renderings. For many real-world scenes this leads to their heavy dependence on good initializations. In this work, we rethink the set of 3D Gaussians as a random sample drawn from an underlying probability distribution describing the physical representation of the scene—in other words, Markov Chain Monte Carlo (MCMC) samples. Under this view, we show that the 3D Gaussian updates can be converted as Stochastic Gradient Langevin Dynamics (SGLD) update by simply introducing noise. We then rewrite the densification and pruning strategies in 3D Gaussian Splatting as simply a deterministic state transition of MCMC samples, removing these heuristics from the framework. To do so, we revise the ‘cloning’ of Gaussians into a relocalization scheme that approximately preserves sample probability. To encourage efficient use of Gaussians, we introduce an L1-regularizer on the Gaussians. On various standard evaluation scenes, we show that our method provides improved rendering quality, easy control over the number of Gaussians, and robustness to initialization. The project website is available at https://3dgs-mcmc.github.io/.

We study how well machine learning models trained on causal features generalize across domains. We consider 16 prediction tasks on tabular datasets covering applications in health, employment, education, social benefits, and politics. Each dataset comes with multiple domains, allowing us to test how well a model trained in one domain performs in another. For each prediction task, we select features that have a causal influence on the target of prediction. Our goal is to test the hypothesis that models trained on causal features generalize better across domains. Without exception, we find that predictors using all available features, regardless of causality, have better in-domain and out-of-domain accuracy than predictors using causal features. Moreover, even the absolute drop in accuracy from one domain to the other is no better for causal predictors than for models that use all features. In addition, we show that recent causal machine learning methods for domain generalization do not perform better in our evaluation than standard predictors trained on the set of causal features. Likewise, causal discovery algorithms either fail to run or select causal variables that perform no better than our selection. Extensive robustness checks confirm that our findings are stable under variable misclassification.

A well-studied generalization of the standard online convex optimization (OCO) framework is constrained online convex optimization (COCO). In COCO, on every round, a convex cost function and a convex constraint function are revealed to the learner after it chooses the action for that round. The objective is to design an online learning policy that simultaneously achieves a small regret while ensuring a small cumulative constraint violation (CCV) against an adaptive adversary interacting over a horizon of length $T$. A long-standing open question in COCO is whether an online policy can simultaneously achieve $O(\sqrt{T})$ regret and $\tilde{O}(\sqrt{T})$ CCV without any restrictive assumptions. For the first time, we answer this in the affirmative and show that a simple first-order policy can simultaneously achieve these bounds. Furthermore, in the case of strongly convex cost and convex constraint functions, the regret guarantee can be improved to $O(\log T)$ while keeping the CCV bound the same as above. We establish these results by effectively combining adaptive OCO policies as a blackbox with Lyapunov optimization - a classic tool from control theory. Surprisingly, the analysis is short and elegant.

Multiple types of inference are available for probabilistic graphical models, e.g., marginal, maximum-a-posteriori, and even marginal maximum-a-posteriori. Which one do researchers mean when they talk about ``planning as inference''? There is no consistency in the literature, different types are used, and their ability to do planning is further entangled with specific approximations or additional constraints. In this work we use the variational framework to show that, just like all commonly used types of inference correspond to different weightings of the entropy terms in the variational problem, planning corresponds _exactly_ to a _different_ set of weights. This means that all the tricks of variational inference are readily applicable to planning. We develop an analogue of loopy belief propagation that allows us to perform approximate planning in factored-state Markov decisions processes without incurring intractability due to the exponentially large state space. The variational perspective shows that the previous types of inference for planning are only adequate in environments with low stochasticity, and allows us to characterize each type by its own merits, disentangling the type of inference from the additional approximations that its practical use requires. We validate these results empirically on synthetic MDPs and tasks posed in the International Planning Competition.

Causal discovery from observational data, especially for count data, is essential across scientific and industrial contexts, such as biology, economics, and network operation maintenance. For this task, most approaches model count data using Bayesian networks or ordinal relations. However, they overlook the inherent branching structures that are frequently encountered, e.g., a browsing event might trigger an adding cart or purchasing event. This can be modeled by a binomial thinning operator (for branching) and an additive independent Poisson distribution (for noising), known as Poisson Branching Structure Causal Model (PB-SCM). There is a provably sound cumulant-based causal discovery method that allows the identification of the causal structure under a branching structure. However, we show that there still remains a gap in that there exist causal directions that are identifiable while the algorithm fails to identify them. In this work, we address this gap by exploring the identifiability of PB-SCM using the Probability Generating Function (PGF). By developing a compact and exact closed-form solution for the PGF of PB-SCM, we demonstrate that each component in this closed-form solution uniquely encodes a specific local structure, enabling the identification of the local structures by testing their corresponding component appearances in the PGF. Building on this, we propose a practical algorithm for learning causal skeletons and identifying causal directions of PB-SCM using PGF. The effectiveness of our method is demonstrated through experiments on both synthetic and real datasets.

Few-shot 3D point cloud semantic segmentation aims to segment query point clouds with only a few annotated support point clouds. Existing prototype-based methods learn prototypes from the 3D support set to guide the segmentation of query point clouds. However, they encounter the challenge of low prototype quality due to constrained semantic information in the 3D support set and class information bias between support and query sets. To address these issues, in this paper, we propose a novel framework called Generated and Pseudo Content guided Prototype Refinement (GPCPR), which explicitly leverages LLM-generated content and reliable query context to enhance prototype quality. GPCPR achieves prototype refinement through two core components: LLM-driven Generated Content-guided Prototype Refinement (GCPR) and Pseudo Query Context-guided Prototype Refinement (PCPR). Specifically, GCPR integrates diverse and differentiated class descriptions generated by large language models to enrich prototypes with comprehensive semantic knowledge. PCPR further aggregates reliable class-specific pseudo-query context to mitigate class information bias and generate more suitable query-specific prototypes. Furthermore, we introduce a dual-distillation regularization term, enabling knowledge transfer between early-stage entities (prototypes or pseudo predictions) and their deeper counterparts to enhance refinement. Extensive experiments demonstrate the superiority of our method, surpassing the state-of-the-art methods by up to 12.10% and 13.75% mIoU on S3DIS and ScanNet, respectively.

Bayesian optimization (BO) is a popular method for computationally expensive black-box optimization. However, traditional BO methods need to solve new problems from scratch, leading to slow convergence. Recent studies try to extend BO to a transfer learning setup to speed up the optimization, where search space transfer is one of the most promising approaches and has shown impressive performance on many tasks. However, existing search space transfer methods either lack an adaptive mechanism or are not flexible enough, making it difficult to efficiently identify promising search space during the optimization process. In this paper, we propose a search space transfer learning method based on Monte Carlo tree search (MCTS), called MCTS-transfer, to iteratively divide, select, and optimize in a learned subspace. MCTS-transfer can not only provide a well-performing search space for warm-start but also adaptively identify and leverage the information of similar source tasks to reconstruct the search space during the optimization process. Experiments on synthetic functions, real-world problems, Design-Bench and hyper-parameter optimization show that MCTS-transfer can demonstrate superior performance compared to other search space transfer methods under different settings. Our code is available at \url{https://github.com/lamda-bbo/mcts-transfer}.

Adam has been shown to outperform gradient descent on large language models by a larger margin than on other tasks, but it is unclear why. We show that a key factor in this performance gap is the heavy-tailed class imbalance found in language tasks. When trained with gradient descent, the loss of infrequent words decreases more slowly than the loss of frequent ones. This leads to a slow decrease on the average loss as most samples come from infrequent words. On the other hand, Adam and sign-based methods are less sensitive to this problem. To establish that this behavior is caused by class imbalance, we show empirically that it can be reproduced across architectures and data types, on language transformers, vision CNNs, and linear models. On a linear model with cross-entropy loss, we show that class imbalance leads to imbalanced, correlated gradients and Hessians that have been hypothesized to benefit Adam. We also prove that, in continuous time, gradient descent converges slowly on low-frequency classes while sign descent does not.

Large pretrained models can be used as annotators, helping replace or augment crowdworkers and enabling distilling generalist models into smaller specialist models. Unfortunately, this comes at a cost: employing top-of-the-line models often requires paying thousands of dollars for API calls, while the resulting datasets are static and challenging to audit. To address these challenges, we propose a simple alternative: rather than directly querying labels from pretrained models, we task models to generate programs that can produce labels. These programs can be stored and applied locally, re-used and extended, and cost orders of magnitude less. Our system, $\textbf{Alchemist}$, obtains comparable to or better performance than large language model-based annotation in a range of tasks for a fraction of the cost: on average, improvements amount to a $\textbf{12.9}$% enhancement while the total labeling costs across all datasets are reduced by a factor of approximately $\textbf{500}\times$.

In this work we design graph neural network architectures that capture optimal approximation algorithms for a large class of combinatorial optimization problems, using powerful algorithmic tools from semidefinite programming (SDP). Concretely, we prove that polynomial-sized message-passing algorithms can represent the most powerful polynomial time algorithms for Max Constraint Satisfaction Problems assuming the Unique Games Conjecture. We leverage this result to construct efficient graph neural network architectures, OptGNN, that obtain high quality approximate solutions on landmark combinatorial optimization problems such as Max-Cut, Min-Vertex-Cover, and Max-3-SAT. Our approach achieves strong empirical results across a wide range of real-world and synthetic datasets against solvers and neural baselines. Finally, we take advantage of OptGNN’s ability to capture convex relaxations to design an algorithm for producing bounds on the optimal solution from the learned embeddings of OptGNN.

Disentangled representation learning strives to extract the intrinsic factors within the observed data. Factoring these representations in an unsupervised manner is notably challenging and usually requires tailored loss functions or specific structural designs. In this paper, we introduce a new perspective and framework, demonstrating that diffusion models with cross-attention itself can serve as a powerful inductive bias to facilitate the learning of disentangled representations. We propose to encode an image into a set of concept tokens and treat them as the condition of the latent diffusion model for image reconstruction, where cross attention over the concept tokens is used to bridge the encoder and the U-Net of the diffusion model. We analyze that the diffusion process inherently possesses the time-varying information bottlenecks. Such information bottlenecks and cross attention act as strong inductive biases for promoting disentanglement. Without any regularization term in the loss function, this framework achieves superior disentanglement performance on the benchmark datasets, surpassing all previous methods with intricate designs. We have conducted comprehensive ablation studies and visualization analyses, shedding a light on the functioning of this model. We anticipate that our findings will inspire more investigation on exploring diffusion model for disentangled representation learning towards more sophisticated data analysis and understanding.

Existing vision-language models (VLMs) mostly rely on vision encoders to extract visual features followed by large language models (LLMs) for visual-language tasks. However, the vision encoders set a strong inductive bias in abstracting visual representation, e.g., resolution, aspect ratio, and semantic priors, which could impede the flexibility and efficiency of the VLMs. Training pure VLMs that accept the seamless vision and language inputs, i.e., without vision encoders, remains challenging and rarely explored. Empirical observations reveal that direct training without encoders results in slow convergence and large performance gaps. In this work, we bridge the gap between encoder-based and encoder-free models, and present a simple yet effective training recipe towards pure VLMs. Specifically, we unveil the key aspects of training encoder-free VLMs efficiently via thorough experiments: (1) Bridging vision-language representation inside one unified decoder; (2) Enhancing visual recognition capability via extra supervision. With these strategies, we launch EVE, an encoder-free vision-language model that can be trained and forwarded efficiently. Notably, solely utilizing 35M publicly accessible data, EVE can impressively rival the encoder-based VLMs of similar capacities across multiple vision-language benchmarks. It significantly outperforms the counterpart Fuyu-8B with mysterious training procedures and undisclosed training data. We believe that EVE provides a transparent and efficient route for developing pure decoder-only architecture across modalities.

Rare event sampling in dynamical systems is a fundamental problem arising in the natural sciences, which poses significant computational challenges due to an exponentially large space of trajectories. For settings where the dynamical system of interest follows a Brownian motion with known drift, the question of conditioning the process to reach a given endpoint or desired rare event is definitively answered by Doob's $h$-transform. However, the naive estimation of this transform is infeasible, as it requires simulating sufficiently many forward trajectories to estimate rare event probabilities. In this work, we propose a variational formulation of Doob's $h$-transform as an optimization problem over trajectories between a given initial point and the desired ending point. To solve this optimization, we propose a simulation-free training objective with a model parameterization that imposes the desired boundary conditions by design. Our approach significantly reduces the search space over trajectories and avoids expensive trajectory simulation and inefficient importance sampling estimators which are required in existing methods. We demonstrate the ability of our method to find feasible transition paths on real-world molecular simulation and protein folding tasks.

While deep networks have achieved broad success in analyzing natural images, when applied to medical scans, they often fail in unexcepted situations. We investigate this challenge and focus on model sensitivity to domain shifts, such as data sampled from different hospitals or data confounded by demographic variables such as sex, race, etc, in the context of chest X-rays and skin lesion images. A key finding we show empirically is that existing visual backbones lack an appropriate prior from the architecture for reliable generalization in these settings. Taking inspiration from medical training, we propose giving deep networks a prior grounded in explicit medical knowledge communicated in natural language. To this end, we introduce Knowledge-enhanced Bottlenecks (KnoBo), a class of concept bottleneck models that incorporates knowledge priors that constrain it to reason with clinically relevant factors found in medical textbooks or PubMed. KnoBo uses retrieval-augmented language models to design an appropriate concept space paired with an automatic training procedure for recognizing the concept. We evaluate different resources of knowledge and recognition architectures on a broad range of domain shifts across 20 datasets. In our comprehensive evaluation with two imaging modalities, KnoBo outperforms fine-tuned models on confounded datasets by 32.4% on average. Finally, evaluations reveal that PubMed is a promising resource for making medical models less sensitive to domain shift, outperforming other resources on both diversity of information and final prediction performance.

Centred on content modification and style preservation, Scene Text Editing (STE) remains a challenging task despite considerable progress in text-to-image synthesis and text-driven image manipulation recently. GAN-based STE methods generally encounter a common issue of model generalization, while Diffusion-based STE methods suffer from undesired style deviations. To address these problems, we propose TextCtrl, a diffusion-based method that edits text with prior guidance control. Our method consists of two key components: (i) By constructing fine-grained text style disentanglement and robust text glyph structure representation, TextCtrl explicitly incorporates Style-Structure guidance into model design and network training, significantly improving text style consistency and rendering accuracy. (ii) To further leverage the style prior, a Glyph-adaptive Mutual Self-attention mechanism is proposed which deconstructs the implicit fine-grained features of the source image to enhance style consistency and vision quality during inference. Furthermore, to fill the vacancy of the real-world STE evaluation benchmark, we create the first real-world image-pair dataset termed ScenePair for fair comparisons. Experiments demonstrate the effectiveness of TextCtrl compared with previous methods concerning both style fidelity and text accuracy. Project page: https://github.com/weichaozeng/TextCtrl.

Digital Twins (DTs) are computational models that simulate the states and temporal dynamics of real-world systems, playing a crucial role in prediction, understanding, and decision-making across diverse domains. However, existing approaches to DTs often struggle to generalize to unseen conditions in data-scarce settings, a crucial requirement for such models. To address these limitations, our work begins by establishing the essential desiderata for effective DTs. Hybrid Digital Twins (**HDTwins**) represent a promising approach to address these requirements, modeling systems using a composition of both mechanistic and neural components. This hybrid architecture simultaneously leverages (partial) domain knowledge and neural network expressiveness to enhance generalization, with its modular design facilitating improved evolvability. While existing hybrid models rely on expert-specified architectures with only parameters optimized on data, *automatically* specifying and optimizing HDTwins remains intractable due to the complex search space and the need for flexible integration of domain priors. To overcome this complexity, we propose an evolutionary algorithm (**HDTwinGen**) that employs Large Language Models (LLMs) to autonomously propose, evaluate, and optimize HDTwins. Specifically, LLMs iteratively generate novel model specifications, while offline tools are employed to optimize emitted parameters. Correspondingly, proposed models are evaluated and evolved based on targeted feedback, enabling the discovery of increasingly effective hybrid models. Our empirical results reveal that HDTwinGen produces generalizable, sample-efficient, and evolvable models, significantly advancing DTs' efficacy in real-world applications.