NeurIPS 2023 Papers

Recent accelerations in multi-modal applications have been made possible with the plethora of image and text data available online. However, the scarcity of analogous data in the medical field, specifically in histopathology, has slowed comparable progress. To enable similar representation learning for histopathology, we turn to YouTube, an untapped resource of videos, offering $1,087$ hours of valuable educational histopathology videos from expert clinicians. From YouTube, we curate QUILT: a large-scale vision-language dataset consisting of $802, 144$ image and text pairs. QUILT was automatically curated using a mixture of models, including large language models, handcrafted algorithms, human knowledge databases, and automatic speech recognition. In comparison, the most comprehensive datasets curated for histopathology amass only around $200$K samples. We combine QUILT with datasets from other sources, including Twitter, research papers, and the internet in general, to create an even larger dataset: QUILT-1M, with $1$M paired image-text samples, marking it as the largest vision-language histopathology dataset to date. We demonstrate the value of QUILT-1M by fine-tuning a pre-trained CLIP model. Our model outperforms state-of-the-art models on both zero-shot and linear probing tasks for classifying new histopathology images across $13$ diverse patch-level datasets of $8$ different sub-pathologies and cross-modal retrieval tasks.

Existing automatic evaluation on text-to-image synthesis can only provide an image-text matching score, without considering the object-level compositionality, which results in poor correlation with human judgments. In this work, we propose LLMScore, a new framework that offers evaluation scores with multi-granularity compositionality. LLMScore leverages the large language models (LLMs) to evaluate text-to-image models. Initially, it transforms the image into image-level and object-level visual descriptions. Then an evaluation instruction is fed into the LLMs to measure the alignment between the synthesized image and the text, ultimately generating a score accompanied by a rationale. Our substantial analysis reveals the highest correlation of LLMScore with human judgments on a wide range of datasets (Attribute Binding Contrast, Concept Conjunction, MSCOCO, DrawBench, PaintSkills). Notably, our LLMScore achieves Kendall's tau correlation with human evaluations that is 58.8% and 31.2% higher than the commonly-used text-image matching metrics CLIP and BLIP, respectively.

Visual model-based RL methods typically encode image observations into low-dimensional representations in a manner that does not eliminate redundant information. This leaves them susceptible to spurious variations -- changes in task-irrelevant components such as background distractors or lighting conditions. In this paper, we propose a visual model-based RL method that learns a latent representation resilient to such spurious variations. Our training objective encourages the representation to be maximally predictive of dynamics and reward, while constraining the information flow from the observation to the latent representation. We demonstrate that this objective significantly bolsters the resilience of visual model-based RL methods to visual distractors, allowing them to operate in dynamic environments. We then show that while the learned encoder is able to operate in dynamic environments, it is not invariant under significant distribution shift. To address this, we propose a simple reward-free alignment procedure that enables test time adaptation of the encoder. This allows for quick adaptation to widely differing environments without having to relearn the dynamics and policy. Our effort is a step towards making model-based RL a practical and useful tool for dynamic, diverse domains and we show its effectiveness in simulation tasks with significant spurious variations.

Over the last several years, there has been significant progress in developing neural solvers for the Schrödinger Bridge (SB) problem and applying them to generative modelling. This new research field is justifiably fruitful as it is interconnected with the practically well-performing diffusion models and theoretically grounded entropic optimal transport (EOT). Still, the area lacks non-trivial tests allowing a researcher to understand how well the methods solve SB or its equivalent continuous EOT problem. We fill this gap and propose a novel way to create pairs of probability distributions for which the ground truth OT solution is known by the construction. Our methodology is generic and works for a wide range of OT formulations, in particular, it covers the EOT which is equivalent to SB (the main interest of our study). This development allows us to create continuous benchmark distributions with the known EOT and SB solutions on high-dimensional spaces such as spaces of images. As an illustration, we use these benchmark pairs to test how well existing neural EOT/SB solvers actually compute the EOT solution. Our code for constructing benchmark pairs under different setups is available at: https://github.com/ngushchin/EntropicOTBenchmark

Exquisite demand exists for customizing the pretrained large text-to-image model, $e.g.$ Stable Diffusion, to generate innovative concepts, such as the users themselves. However, the newly-added concept from previous customization methods often shows weaker combination abilities than the original ones even given several images during training. We thus propose a new personalization method that allows for the seamless integration of a unique individual into the pre-trained diffusion model using just $one\ facial\ photograph$ and only $1024\ learnable\ parameters$ under $3\ minutes$. So we can effortlessly generate stunning images of this person in any pose or position, interacting with anyone and doing anything imaginable from text prompts. To achieve this, we first analyze and build a well-defined celeb basis from the embedding space of the pre-trained large text encoder. Then, given one facial photo as the target identity, we generate its own embedding by optimizing the weight of this basis and locking all other parameters. Empowered by the proposed celeb basis, the new identity in our customized model showcases a better concept combination ability than previous personalization methods. Besides, our model can also learn several new identities at once and interact with each other where the previous customization model fails to. Project page is at: http://celeb-basis.github.io. Code is at: https://github.com/ygtxr1997/CelebBasis.

Intersection over Union (IoU) losses are surrogates that directly optimize the Jaccard index. Leveraging IoU losses as part of the loss function have demonstrated superior performance in semantic segmentation tasks compared to optimizing pixel-wise losses such as the cross-entropy loss alone. However, we identify a lack of flexibility in these losses to support vital training techniques like label smoothing, knowledge distillation, and semi-supervised learning, mainly due to their inability to process soft labels. To address this, we introduce Jaccard Metric Losses (JMLs), which are identical to the soft Jaccard loss in standard settings with hard labels but are fully compatible with soft labels. We apply JMLs to three prominent use cases of soft labels: label smoothing, knowledge distillation and semi-supervised learning, and demonstrate their potential to enhance model accuracy and calibration. Our experiments show consistent improvements over the cross-entropy loss across 4 semantic segmentation datasets (Cityscapes, PASCAL VOC, ADE20K, DeepGlobe Land) and 13 architectures, including classic CNNs and recent vision transformers. Remarkably, our straightforward approach significantly outperforms state-of-the-art knowledge distillation and semi-supervised learning methods. The code is available at \href{https://github.com/zifuwanggg/JDTLosses}{https://github.com/zifuwanggg/JDTLosses}.

Most linear experimental design problems assume homogeneous variance, while the presence of heteroskedastic noise is present in many realistic settings. Let a learner have access to a finite set of measurement vectors $\mathcal{X}\subset \mathbb{R}^d$ that can be probed to receive noisy linear responses of the form $y=x^{\top}\theta^{\ast}+\eta$. Here $\theta^{\ast}\in \mathbb{R}^d$ is an unknown parameter vector, and $\eta$ is independent mean-zero $\sigma_x^2$-sub-Gaussian noise defined by a flexible heteroskedastic variance model, $\sigma_x^2 = x^{\top}\Sigma^{\ast}x$. Assuming that $\Sigma^{\ast}\in \mathbb{R}^{d\times d}$ is an unknown matrix, we propose, analyze and empirically evaluate a novel design for uniformly bounding estimation error of the variance parameters, $\sigma_x^2$. We demonstrate this method on two adaptive experimental design problems under heteroskedastic noise, fixed confidence transductive best-arm identification and level-set identification and prove the first instance-dependent lower bounds in these settings. Lastly, we construct near-optimal algorithms and demonstrate the large improvements in sample complexity gained from accounting for heteroskedastic variance in these designs empirically.

Systematic compositionality, or the ability to adapt to novel situations by creating a mental model of the world using reusable pieces of knowledge, remains a significant challenge in machine learning. While there has been considerable progress in the language domain, efforts towards systematic visual imagination, or envisioning the dynamical implications of a visual observation, are in their infancy. We introduce the Systematic Visual Imagination Benchmark (SVIB), the first benchmark designed to address this problem head-on. SVIB offers a novel framework for a minimal world modeling problem, where models are evaluated based on their ability to generate one-step image-to-image transformations under a latent world dynamics. The framework provides benefits such as the possibility to jointly optimize for systematic perception and imagination, a range of difficulty levels, and the ability to control the fraction of possible factor combinations used during training. We provide a comprehensive evaluation of various baseline models on SVIB, offering insight into the current state-of-the-art in systematic visual imagination. We hope that this benchmark will help advance visual systematic compositionality.

Stochastic Gradient Descent (SGD) is arguably the most important single algorithm in modern machine learning. Although SGD with unbiased gradient estimators has been studied extensively over at least half a century, SGD variants relying on biased estimators are rare. Nevertheless, there has been an increased interest in this topic in recent years. However, existing literature on SGD with biased estimators lacks coherence since each new paper relies on a different set of assumptions, without any clear understanding of how they are connected, which may lead to confusion. We address this gap by establishing connections among the existing assumptions, and presenting a comprehensive map of the underlying relationships. Additionally, we introduce a new set of assumptions that is provably weaker than all previous assumptions, and use it to present a thorough analysis of BiasedSGD in both convex and non-convex settings, offering advantages over previous results. We also provide examples where biased estimators outperform their unbiased counterparts or where unbiased versions are simply not available. Finally, we demonstrate the effectiveness of our framework through experimental results that validate our theoretical findings.

Chain-of-thought prompting (CoT) and tool augmentation have been validated in recent work as effective practices for improving large language models (LLMs) to perform step-by-step reasoning on complex math-related tasks. However, most existing math reasoning datasets may not be able to fully evaluate and analyze the ability of LLMs in manipulating tools and performing reasoning, as they often only require very few invocations of tools or miss annotations for evaluating intermediate reasoning steps, thus supporting only outcome evaluation. To address the issue, we construct **CARP**, a new Chinese dataset consisting of 4,886 computation-intensive algebra problems with formulated annotations on intermediate steps, facilitating the evaluation of the intermediate reasoning process. In CARP, we test four LLMs with CoT prompting, and find that they are all prone to make mistakes at the early steps of the solution, leading to incorrect answers. Based on this finding, we propose a new approach that can facilitate the deliberation on reasoning steps with tool interfaces, namely **DELI**. In DELI, we first initialize a step-by-step solution based on retrieved exemplars, then iterate two deliberation procedures that check and refine the intermediate steps of the generated solution, from both tool manipulation and natural language reasoning perspectives, until solutions converge or the maximum iteration is achieved. Experimental results on CARP and six other datasets show that the proposed DELI mostly outperforms competitive baselines, and can further boost the performance of existing CoT methods. Our data and code are available at https://github.com/RUCAIBox/CARP.

We investigate safe multi-agent reinforcement learning, where agents seek to collectively maximize an aggregate sum of local objectives while satisfying their own safety constraints. The objective and constraints are described by general utilities, i.e., nonlinear functions of the long-term state-action occupancy measure, which encompass broader decision-making goals such as risk, exploration, or imitations. The exponential growth of the state-action space size with the number of agents presents challenges for global observability, further exacerbated by the global coupling arising from agents' safety constraints. To tackle this issue, we propose a primal-dual method utilizing shadow reward and $\kappa$-hop neighbor truncation under a form of correlation decay property, where $\kappa$ is the communication radius. In the exact setting, our algorithm converges to a first-order stationary point (FOSP) at the rate of $\mathcal{O}\left(T^{-2/3}\right)$. In the sample-based setting, we demonstrate that, with high probability, our algorithm requires $\widetilde{\mathcal{O}}\left(\epsilon^{-3.5}\right)$ samples to achieve an $\epsilon$-FOSP with an approximation error of $\mathcal{O}(\phi_0^{2\kappa})$, where $\phi_0\in (0,1)$. Finally, we demonstrate the effectiveness of our model through extensive numerical experiments.

Training recurrent neural networks (RNNs) has become a go-to approach for generating and evaluating mechanistic neural hypotheses for cognition. The ease and efficiency of training RNNs with backpropagation through time and the availability of robustly supported deep learning libraries has made RNN modeling more approachable and accessible to neuroscience. Yet, a major technical hindrance remains. Cognitive processes such as working memory and decision making involve neural population dynamics over a long period of time within a behavioral trial and across trials. It is difficult to train RNNs to accomplish tasks where neural representations and dynamics have long temporal dependencies without gating mechanisms such as LSTMs or GRUs which currently lack experimental support and prohibit direct comparison between RNNs and biological neural circuits. We tackled this problem based on the idea of specialized skip-connections through time to support the emergence of task-relevant dynamics, and subsequently reinstitute biological plausibility by reverting to the original architecture. We show that this approach enables RNNs to successfully learn cognitive tasks that prove impractical if not impossible to learn using conventional methods. Over numerous tasks considered here, we achieve less training steps and shorter wall-clock times, particularly in tasks that require learning long-term dependencies via temporal integration over long timescales or maintaining a memory of past events in hidden-states. Our methods expand the range of experimental tasks that biologically plausible RNN models can learn, thereby supporting the development of theory for the emergent neural mechanisms of computations involving long-term dependencies.

Vision-language models, such as contrastive language-image pre-training (CLIP), have demonstrated impressive results in natural image domains. However, these models often struggle when applied to specialized domains like remote sensing, and adapting to such domains is challenging due to the limited number of image-text pairs available for training. To address this, we propose S-CLIP, a semi-supervised learning method for training CLIP that utilizes additional unpaired images. S-CLIP employs two pseudo-labeling strategies specifically designed for contrastive learning and the language modality. The caption-level pseudo-label is given by a combination of captions of paired images, obtained by solving an optimal transport problem between unpaired and paired images. The keyword-level pseudo-label is given by a keyword in the caption of the nearest paired image, trained through partial label learning that assumes a candidate set of labels for supervision instead of the exact one. By combining these objectives, S-CLIP significantly enhances the training of CLIP using only a few image-text pairs, as demonstrated in various specialist domains, including remote sensing, fashion, scientific figures, and comics. For instance, S-CLIP improves CLIP by 10% for zero-shot classification and 4% for image-text retrieval on the remote sensing benchmark, matching the performance of supervised CLIP while using three times fewer image-text pairs.

Conventional statistical wisdom established a well-understood relationship between model complexity and prediction error, typically presented as a _U-shaped curve_ reflecting a transition between under- and overfitting regimes. However, motivated by the success of overparametrized neural networks, recent influential work has suggested this theory to be generally incomplete, introducing an additional regime that exhibits a second descent in test error as the parameter count $p$ grows past sample size $n$ -- a phenomenon dubbed _double descent_. While most attention has naturally been given to the deep-learning setting, double descent was shown to emerge more generally across non-neural models: known cases include _linear regression, trees, and boosting_. In this work, we take a closer look at the evidence surrounding these more classical statistical machine learning methods and challenge the claim that observed cases of double descent truly extend the limits of a traditional U-shaped complexity-generalization curve therein. We show that once careful consideration is given to _what is being plotted_ on the x-axes of their double descent plots, it becomes apparent that there are implicitly multiple, distinct complexity axes along which the parameter count grows. We demonstrate that the second descent appears exactly (and _only_) when and where the transition between these underlying axes occurs, and that its location is thus _not_ inherently tied to the interpolation threshold $p=n$. We then gain further insight by adopting a classical nonparametric statistics perspective. We interpret the investigated methods as _smoothers_ and propose a generalized measure for the _effective_ number of parameters they use _on unseen examples_, using which we find that their apparent double descent curves do indeed fold back into more traditional convex shapes -- providing a resolution to the ostensible tension between double descent and traditional statistical intuition.

This paper presents a case study on the design, administration, post-processing, and evaluation of surveys on large language models (LLMs). It comprises two components: (1) A statistical method for eliciting beliefs encoded in LLMs. We introduce statistical measures and evaluation metrics that quantify the probability of an LLM "making a choice", the associated uncertainty, and the consistency of that choice. (2) We apply this method to study what moral beliefs are encoded in different LLMs, especially in ambiguous cases where the right choice is not obvious. We design a large-scale survey comprising 680 high-ambiguity moral scenarios (e.g., "Should I tell a white lie?") and 687 low-ambiguity moral scenarios (e.g., "Should I stop for a pedestrian on the road?"). Each scenario includes a description, two possible actions, and auxiliary labels indicating violated rules (e.g., "do not kill"). We administer the survey to 28 open- and closed-source LLMs. We find that (a) in unambiguous scenarios, most models ``choose" actions that align with commonsense. In ambiguous cases, most models express uncertainty. (b) Some models are uncertain about choosing the commonsense action because their responses are sensitive to the question-wording. (c) Some models reflect clear preferences in ambiguous scenarios. Specifically, closed-source models tend to agree with each other.

Reinforcement learning (RL) is inspired by the way human infants and animals learn from the environment. The setting is somewhat idealized because, in actual tasks, other agents in the environment have their own goals and behave adaptively to the ego agent. To thrive in those environments, the agent needs to influence other agents so their actions become more helpful and less harmful. Research in computational economics distills two ways to influence others directly: by providing tangible goods (mechanism design) and by providing information (information design). This work investigates information design problems for a group of RL agents. The main challenges are two-fold. One is the information provided will immediately affect the transition of the agent trajectories, which introduces additional non-stationarity. The other is the information can be ignored, so the sender must provide information that the receiver is willing to respect. We formulate the Markov signaling game, and develop the notions of signaling gradient and the extended obedience constraints that address these challenges. Our algorithm is efficient on various mixed-motive tasks and provides further insights into computational economics. Our code is publicly available at https://github.com/YueLin301/InformationDesignMARL.

For embodied reinforcement learning (RL) agents interacting with the environment, it is desirable to have rapid policy adaptation to unseen visual observations, but achieving zero-shot adaptation capability is considered as a challenging problem in the RL context. To address the problem, we present a novel contrastive prompt ensemble (ConPE) framework which utilizes a pretrained vision-language model and a set of visual prompts, thus enables efficient policy learning and adaptation upon a wide range of environmental and physical changes encountered by embodied agents. Specifically, we devise a guided-attention-based ensemble approach with multiple visual prompts on the vision-language model to construct robust state representations. Each prompt is contrastively learned in terms of an individual domain factors that significantly affects the agent's egocentric perception and observation. For a given task, the attention-based ensemble and policy are jointly learned so that the resulting state representations not only generalize to various domains but are also optimized for learning the task. Through experiments, we show that ConPE outperforms other state-of-the-art algorithms for several embodied agent tasks including navigation in AI2THOR, manipulation in Metaworld, and autonomous driving in CARLA, while also improving the sample efficiency of policy learning and adaptation.

Higher-order relations are widespread in nature, with numerous phenomena involving complex interactions that extend beyond simple pairwise connections. As a result, advancements in higher-order processing can accelerate the growth of various fields requiring structured data. Current approaches typically represent these interactions using hypergraphs. We enhance this representation by introducing cellular sheaves for hypergraphs, a mathematical construction that adds extra structure to the conventional hypergraph while maintaining their local, higher-order connectivity. Drawing inspiration from existing Laplacians in the literature, we develop two unique formulations of sheaf hypergraph Laplacians: linear and non-linear. Our theoretical analysis demonstrates that incorporating sheaves into the hypergraph Laplacian provides a more expressive inductive bias than standard hypergraph diffusion, creating a powerful instrument for effectively modelling complex data structures. We employ these sheaf hypergraph Laplacians to design two categories of models: Sheaf Hypergraph Neural Networks and Sheaf Hypergraph Convolutional Networks. These models generalize classical Hypergraph Networks often found in the literature. Through extensive experimentation, we show that this generalization significantly improves performance, achieving top results on multiple benchmark datasets for hypergraph node classification.

In a model inversion (MI) attack, an adversary abuses access to a machine learning (ML) model to infer and reconstruct private training data. Remarkable progress has been made in the white-box and black-box setups, where the adversary has access to the complete model or the model's soft output respectively. However, there is very limited study in the most challenging but practically important setup: Label-only MI attacks, where the adversary only has access to the model's predicted label (hard label) without confidence scores nor any other model information. In this work, we propose LOKT, a novel approach for label-only MI attacks. Our idea is based on transfer of knowledge from the opaque target model to surrogate models. Subsequently, using these surrogate models, our approach can harness advanced white-box attacks. We propose knowledge transfer based on generative modelling, and introduce a new model, Target model-assisted ACGAN (T-ACGAN), for effective knowledge transfer. Our method casts the challenging label-only MI into the more tractable white-box setup. We provide analysis to support that surrogate models based on our approach serve as effective proxies for the target model for MI. Our experiments show that our method significantly outperforms existing SOTA Label-only MI attack by more than 15% across all MI benchmarks. Furthermore, our method compares favorably in terms of query budget. Our study highlights rising privacy threats for ML models even when minimal information (i.e., hard labels) is exposed. Our study highlights rising privacy threats for ML models even when minimal information (i.e., hard labels) is exposed. Our code, demo, models and reconstructed data are available at our project page: https://ngoc-nguyen-0.github.io/lokt/