OpenRaiser/Intern-Atlas huggingface dataset:
SEGA: Instructing Text-to-Image Models using Semantic Guidance
Venue: Conference NeurIPS 2023
Year: 2023

Text-to-image diffusion models have recently received a lot of interest for their astonishing ability to produce high-fidelity images from text only. However, achieving one-shot generation that aligns with the user's intent is nearly impossible, yet small changes to the input prompt often result in very different images. This leaves the user with little semantic control. To put the user in control, we show how to interact with the diffusion process to flexibly steer it along semantic directions. This semantic guidance (SEGA) generalizes to any generative architecture using classifier-free guidance. More importantly, it allows for subtle and extensive edits, changes in composition and style, as well as optimizing the overall artistic conception. We demonstrate SEGA's effectiveness on both latent and pixel-based diffusion models such as Stable Diffusion, Paella, and DeepFloyd-IF using a variety of tasks, thus providing strong evidence for its versatility, flexibility, and improvements over existing methods.
Learning Sample Difficulty from Pre-trained Models for Reliable Prediction
Venue: Conference NeurIPS 2023
Year: 2023

Large-scale pre-trained models have achieved remarkable success in many applications, but how to leverage them to improve the prediction reliability of downstream models is undesirably under-explored. Moreover, modern neural networks have been found to be poorly calibrated and make overconfident predictions regardless of inherent sample difficulty and data uncertainty. To address this issue, we propose to utilize large-scale pre-trained models to guide downstream model training with sample difficulty-aware entropy regularization. Pre-trained models that have been exposed to large-scale datasets and do not overfit the downstream training classes enable us to measure each training sample's difficulty via feature-space Gaussian modeling and relative Mahalanobis distance computation. Importantly, by adaptively penalizing overconfident prediction based on the sample difficulty, we simultaneously improve accuracy and uncertainty calibration across challenging benchmarks (e.g., +0.55% ACC and -3.7% ECE on ImageNet1k using ResNet34), consistently surpassing competitive baselines for reliable prediction. The improved uncertainty estimate further improves selective classification (abstaining from erroneous predictions) and out-of-distribution detection.
Seeing is not always believing: Benchmarking Human and Model Perception of AI-Generated Images
Venue: Conference NeurIPS 2023
Year: 2023

Photos serve as a way for humans to record what they experience in their daily lives, and they are often regarded as trustworthy sources of information. However, there is a growing concern that the advancement of artificial intelligence (AI) technology may produce fake photos, which can create confusion and diminish trust in photographs. This study aims to comprehensively evaluate agents for distinguishing state-of-the-art AI-generated visual content. Our study benchmarks both human capability and cutting-edge fake image detection AI algorithms, using a newly collected large-scale fake image dataset Fake2M. In our human perception evaluation, titled HPBench, we discovered that humans struggle significantly to distinguish real photos from AI-generated ones, with a misclassification rate of 38.7%. Along with this, we conduct the model capability of AI-Generated images detection evaluation MPBench and the top-performing model from MPBench achieves a 13% failure rate under the same setting used in the human evaluation. We hope that our study can raise awareness of the potential risks of AI-generated images and facilitate further research to prevent the spread of false information. More information can refer to https://github.com/Inf-imagine/Sentry.
FORB: A Flat Object Retrieval Benchmark for Universal Image Embedding
Venue: Conference NeurIPS 2023
Year: 2023

Image retrieval is a fundamental task in computer vision. Despite recent advances in this field, many techniques have been evaluated on a limited number of domains, with a small number of instance categories. Notably, most existing works only consider domains like 3D landmarks, making it difficult to generalize the conclusions made by these works to other domains, e.g., logo and other 2D flat objects. To bridge this gap, we introduce a new dataset for benchmarking visual search methods on flat images with diverse patterns. Our flat object retrieval benchmark (FORB) supplements the commonly adopted 3D object domain, and more importantly, it serves as a testbed for assessing the image embedding quality on out-of-distribution domains. In this benchmark we investigate the retrieval accuracy of representative methods in terms of candidate ranks, as well as matching score margin, a viewpoint which is largely ignored by many works. Our experiments not only highlight the challenges and rich heterogeneity of FORB, but also reveal the hidden properties of different retrieval strategies. The proposed benchmark is a growing project and we expect to expand in both quantity and variety of objects. The dataset and supporting codes are available at https://github.com/pxiangwu/FORB/.
Intra-Modal Proxy Learning for Zero-Shot Visual Categorization with CLIP
Venue: Conference NeurIPS 2023
Year: 2023

Vision-language pre-training methods, e.g., CLIP, demonstrate an impressive zero-shot performance on visual categorizations with the class proxy from the text embedding of the class name. However, the modality gap between the text and vision space can result in a sub-optimal performance. We theoretically show that the gap cannot be reduced sufficiently by minimizing the contrastive loss in CLIP and the optimal proxy for vision tasks may reside only in the vision space. Therefore, given unlabeled target vision data, we propose to learn the vision proxy directly with the help from the text proxy for zero-shot transfer. Moreover, according to our theoretical analysis, strategies are developed to further refine the pseudo label obtained by the text proxy to facilitate the intra-modal proxy learning (InMaP) for vision. Experiments on extensive downstream tasks confirm the effectiveness and efficiency of our proposal. Concretely, InMaP can obtain the vision proxy within one minute on a single GPU while improving the zero-shot accuracy from $77.02\%$ to $80.21\%$ on ImageNet with ViT-L/14@336 pre-trained by CLIP. Code is available at \url{https://github.com/idstcv/InMaP}.
Overcoming Recency Bias of Normalization Statistics in Continual Learning: Balance and Adaptation
Venue: Conference NeurIPS 2023
Year: 2023

Continual learning entails learning a sequence of tasks and balancing their knowledge appropriately. With limited access to old training samples, much of the current work in deep neural networks has focused on overcoming catastrophic forgetting of old tasks in gradient-based optimization. However, the normalization layers provide an exception, as they are updated interdependently by the gradient and statistics of currently observed training samples, which require specialized strategies to mitigate recency bias. In this work, we focus on the most popular Batch Normalization (BN) and provide an in-depth theoretical analysis of its sub-optimality in continual learning. Our analysis demonstrates the dilemma between balance and adaptation of BN statistics for incremental tasks, which potentially affects training stability and generalization. Targeting on these particular challenges, we propose Adaptive Balance of BN (AdaB$^2$N), which incorporates appropriately a Bayesian-based strategy to adapt task-wise contributions and a modified momentum to balance BN statistics, corresponding to the training and testing stages. By implementing BN in a continual learning fashion, our approach achieves significant performance gains across a wide range of benchmarks, particularly for the challenging yet realistic online scenarios (e.g., up to 7.68%, 6.86% and 4.26% on Split CIFAR-10, Split CIFAR-100 and Split Mini-ImageNet, respectively). Our code is available at https://github.com/lvyilin/AdaB2N.
Optimize Planning Heuristics to Rank, not to Estimate Cost-to-Goal
Venue: Conference NeurIPS 2023
Year: 2023

In imitation learning for planning, parameters of heuristic functions are optimized against a set of solved problem instances. This work revisits the necessary and sufficient conditions of strictly optimally efficient heuristics for forward search algorithms, mainly A* and greedy best-first search, which expand only states on the returned optimal path. It then proposes a family of loss functions based on ranking tailored for a given variant of the forward search algorithm. Furthermore, from a learning theory point of view, it discusses why optimizing cost-to-goal \hstar\ is unnecessarily difficult. The experimental comparison on a diverse set of problems unequivocally supports the derived theory.
Goal-Conditioned Predictive Coding for Offline Reinforcement Learning
Venue: Conference NeurIPS 2023
Year: 2023

Recent work has demonstrated the effectiveness of formulating decision making as supervised learning on offline-collected trajectories. Powerful sequence models, such as GPT or BERT, are often employed to encode the trajectories. However, the benefits of performing sequence modeling on trajectory data remain unclear. In this work, we investigate whether sequence modeling has the ability to condense trajectories into useful representations that enhance policy learning. We adopt a two-stage framework that first leverages sequence models to encode trajectory-level representations, and then learns a goal-conditioned policy employing the encoded representations as its input. This formulation allows us to consider many existing supervised offline RL methods as specific instances of our framework. Within this framework, we introduce Goal-Conditioned Predictive Coding (GCPC), a sequence modeling objective that yields powerful trajectory representations and leads to performant policies. Through extensive empirical evaluations on AntMaze, FrankaKitchen and Locomotion environments, we observe that sequence modeling can have a significant impact on challenging decision making tasks. Furthermore, we demonstrate that GCPC learns a goal-conditioned latent representation encoding the future trajectory, which enables competitive performance on all three benchmarks.
Exposing Attention Glitches with Flip-Flop Language Modeling
Venue: Conference NeurIPS 2023
Year: 2023

Why do large language models sometimes output factual inaccuracies and exhibit erroneous reasoning? The brittleness of these models, particularly when executing long chains of reasoning, currently seems to be an inevitable price to pay for their advanced capabilities of coherently synthesizing knowledge, pragmatics, and abstract thought. Towards making sense of this fundamentally unsolved problem, this work identifies and analyzes the phenomenon of attention glitches, in which the Transformer architecture's inductive biases intermittently fail to capture robust reasoning. To isolate the issue, we introduce flip-flop language modeling (FFLM), a parametric family of synthetic benchmarks designed to probe the extrapolative behavior of neural language models. This simple generative task requires a model to copy binary symbols over long-range dependencies, ignoring the tokens in between. We find that Transformer FFLMs suffer from a long tail of sporadic reasoning errors, some of which we can eliminate using various regularization techniques. Our preliminary mechanistic analyses show why the remaining errors may be very difficult to diagnose and resolve. We hypothesize that attention glitches account for (some of) the closed-domain hallucinations in natural LLMs.
Information Design in Multi-Agent Reinforcement Learning
Venue: Conference NeurIPS 2023
Year: 2023

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.
Gaussian Mixture Solvers for Diffusion Models
Venue: Conference NeurIPS 2023
Year: 2023

Recently, diffusion models have achieved great success in generative tasks. Sampling from diffusion models is equivalent to solving the reverse diffusion stochastic differential equations (SDEs) or the corresponding probability flow ordinary differential equations (ODEs). In comparison, SDE-based solvers can generate samples of higher quality and are suited for image translation tasks like stroke-based synthesis. During inference, however, existing SDE-based solvers are severely constrained by the efficiency-effectiveness dilemma. Our investigation suggests that this is because the Gaussian assumption in the reverse transition kernel is frequently violated (even in the case of simple mixture data) given a limited number of discretization steps. To overcome this limitation, we introduce a novel class of SDE-based solvers called \emph{Gaussian Mixture Solvers (GMS)} for diffusion models. Our solver estimates the first three-order moments and optimizes the parameters of a Gaussian mixture transition kernel using generalized methods of moments in each step during sampling. Empirically, our solver outperforms numerous SDE-based solvers in terms of sample quality in image generation and stroke-based synthesis in various diffusion models, which validates the motivation and effectiveness of GMS. Our code is available at https://github.com/Guohanzhong/GMS.
Trade-off Between Efficiency and Consistency for Removal-based Explanations
Venue: Conference NeurIPS 2023
Year: 2023

In the current landscape of explanation methodologies, most predominant approaches, such as SHAP and LIME, employ removal-based techniques to evaluate the impact of individual features by simulating various scenarios with specific features omitted. Nonetheless, these methods primarily emphasize efficiency in the original context, often resulting in general inconsistencies. In this paper, we demonstrate that such inconsistency is an inherent aspect of these approaches by establishing the Impossible Trinity Theorem, which posits that interpretability, efficiency, and consistency cannot hold simultaneously. Recognizing that the attainment of an ideal explanation remains elusive, we propose the utilization of interpretation error as a metric to gauge inefficiencies and inconsistencies. To this end, we present two novel algorithms founded on the standard polynomial basis, aimed at minimizing interpretation error. Our empirical findings indicate that the proposed methods achieve a substantial reduction in interpretation error, up to 31.8 times lower when compared to alternative techniques. Code is available at https://github.com/trusty-ai/efficient-consistent-explanations.
Provably Robust Temporal Difference Learning for Heavy-Tailed Rewards
Venue: Conference NeurIPS 2023
Year: 2023

In a broad class of reinforcement learning applications, stochastic rewards have heavy-tailed distributions, which lead to infinite second-order moments for stochastic (semi)gradients in policy evaluation and direct policy optimization. In such instances, the existing RL methods may fail miserably due to frequent statistical outliers. In this work, we establish that temporal difference (TD) learning with a dynamic gradient clipping mechanism, and correspondingly operated natural actor-critic (NAC), can be provably robustified against heavy-tailed reward distributions. It is shown in the framework of linear function approximation that a favorable tradeoff between bias and variability of the stochastic gradients can be achieved with this dynamic gradient clipping mechanism. In particular, we prove that robust versions of TD learning achieve sample complexities of order $\mathcal{O}(\varepsilon^{-\frac{1}{p}})$ and $\mathcal{O}(\varepsilon^{-1-\frac{1}{p}})$ with and without the full-rank assumption on the feature matrix, respectively, under heavy-tailed rewards with finite moments of order $(1+p)$ for some $p\in(0,1]$, both in expectation and with high probability. We show that a robust variant of NAC based on Robust TD learning achieves $\tilde{\mathcal{O}}(\varepsilon^{-4-\frac{2}{p}})$ sample complexity. We corroborate our theoretical results with numerical experiments.
Class-Distribution-Aware Pseudo-Labeling for Semi-Supervised Multi-Label Learning
Venue: Conference NeurIPS 2023
Year: 2023

Pseudo-labeling has emerged as a popular and effective approach for utilizing unlabeled data. However, in the context of semi-supervised multi-label learning (SSMLL), conventional pseudo-labeling methods encounter difficulties when dealing with instances associated with multiple labels and an unknown label count. These limitations often result in the introduction of false positive labels or the neglect of true positive ones. To overcome these challenges, this paper proposes a novel solution called Class-Aware Pseudo-Labeling (CAP) that performs pseudo-labeling in a class-aware manner. The proposed approach introduces a regularized learning framework incorporating class-aware thresholds, which effectively control the assignment of positive and negative pseudo-labels for each class. Notably, even with a small proportion of labeled examples, our observations demonstrate that the estimated class distribution serves as a reliable approximation. Motivated by this finding, we develop a class-distribution-aware thresholding strategy to ensure the alignment of pseudo-label distribution with the true distribution. The correctness of the estimated class distribution is theoretically verified, and a generalization error bound is provided for our proposed method. Extensive experiments on multiple benchmark datasets confirm the efficacy of CAP in addressing the challenges of SSMLL problems.
Adaptive Data Analysis in a Balanced Adversarial Model
Venue: Conference NeurIPS 2023
Year: 2023

In adaptive data analysis, a mechanism gets $n$ i.i.d. samples from an unknown distribution $D$, and is required to provide accurate estimations to a sequence of adaptively chosen statistical queries with respect to $D$. Hardt and Ullman (FOCS 2014) and Steinke and Ullman (COLT 2015) showed that in general, it is computationally hard to answer more than $Θ(n^2)$ adaptive queries, assuming the existence of one-way functions. However, these negative results strongly rely on an adversarial model that significantly advantages the adversarial analyst over the mechanism, as the analyst, who chooses the adaptive queries, also chooses the underlying distribution $D$. This imbalance raises questions with respect to the applicability of the obtained hardness results -- an analyst who has complete knowledge of the underlying distribution $D$ would have little need, if at all, to issue statistical queries to a mechanism which only holds a finite number of samples from $D$. We consider more restricted adversaries, called \emph{balanced}, where each such adversary consists of two separated algorithms: The \emph{sampler} who is the entity that chooses the distribution and provides the samples to the mechanism, and the \emph{analyst} who chooses the adaptive queries, but has no prior knowledge of the underlying distribution (and hence has no a priori advantage with respect to the mechanism). We improve the quality of previous lower bounds by revisiting them using an efficient \emph{balanced} adversary, under standard public-key cryptography assumptions. We show that these stronger hardness assumptions are unavoidable in the sense that any computationally bounded \emph{balanced} adversary that has the structure of all known attacks, implies the existence of public-key cryptography.
Accelerating Molecular Graph Neural Networks via Knowledge Distillation
Venue: Conference NeurIPS 2023
Year: 2023

Recent advances in graph neural networks (GNNs) have enabled more comprehensive modeling of molecules and molecular systems, thereby enhancing the precision of molecular property prediction and molecular simulations. Nonetheless, as the field has been progressing to bigger and more complex architectures, state-of-the-art GNNs have become largely prohibitive for many large-scale applications. In this paper, we explore the utility of knowledge distillation (KD) for accelerating molecular GNNs. To this end, we devise KD strategies that facilitate the distillation of hidden representations in directional and equivariant GNNs, and evaluate their performance on the regression task of energy and force prediction. We validate our protocols across different teacher-student configurations and datasets, and demonstrate that they can consistently boost the predictive accuracy of student models without any modifications to their architecture. Moreover, we conduct comprehensive optimization of various components of our framework, and investigate the potential of data augmentation to further enhance performance. All in all, we manage to close the gap in predictive accuracy between teacher and student models by as much as 96.7% and 62.5% for energy and force prediction respectively, while fully preserving the inference throughput of the more lightweight models.
No Train No Gain: Revisiting Efficient Training Algorithms For Transformer-based Language Models
Venue: Conference NeurIPS 2023
Year: 2023

The computation necessary for training Transformer-based language models has skyrocketed in recent years. This trend has motivated research on efficient training algorithms designed to improve training, validation, and downstream performance faster than standard training. In this work, we revisit three categories of such algorithms: dynamic architectures (layer stacking, layer dropping), batch selection (selective backprop, RHO loss), and efficient optimizers (Lion, Sophia). When pre-training BERT and T5 with a fixed computation budget using such methods, we find that their training, validation, and downstream gains vanish compared to a baseline with a fully-decayed learning rate. We define an evaluation protocol that enables computation to be done on arbitrary machines by mapping all computation time to a reference machine which we call reference system time. We discuss the limitations of our proposed protocol and release our code to encourage rigorous research in efficient training procedures: https://github.com/JeanKaddour/NoTrainNoGain.