OpenRaiser/Intern-Atlas huggingface dataset:
On the Importance of Feature Separability in Predicting Out-Of-Distribution Error
Venue: Conference NeurIPS 2023
Year: 2023

Estimating the generalization performance is practically challenging on out-of-distribution (OOD) data without ground-truth labels. While previous methods emphasize the connection between distribution difference and OOD accuracy, we show that a large domain gap not necessarily leads to a low test accuracy. In this paper, we investigate this problem from the perspective of feature separability empirically and theoretically. Specifically, we propose a dataset-level score based upon feature dispersion to estimate the test accuracy under distribution shift. Our method is inspired by desirable properties of features in representation learning: high inter-class dispersion and high intra-class compactness. Our analysis shows that inter-class dispersion is strongly correlated with the model accuracy, while intra-class compactness does not reflect the generalization performance on OOD data. Extensive experiments demonstrate the superiority of our method in both prediction performance and computational efficiency.
The Transient Nature of Emergent In-Context Learning in Transformers
Venue: Conference NeurIPS 2023
Year: 2023

Transformer neural networks can exhibit a surprising capacity for in-context learning (ICL) despite not being explicitly trained for it. Prior work has provided a deeper understanding of how ICL emerges in transformers, e.g. through the lens of mechanistic interpretability, Bayesian inference, or by examining the distributional properties of training data. However, in each of these cases, ICL is treated largely as a persistent phenomenon; namely, once ICL emerges, it is assumed to persist asymptotically. Here, we show that the emergence of ICL during transformer training is, in fact, often transient. We train transformers on synthetic data designed so that both ICL and in-weights learning (IWL) strategies can lead to correct predictions. We find that ICL first emerges, then disappears and gives way to IWL, all while the training loss decreases, indicating an asymptotic preference for IWL. The transient nature of ICL is observed in transformers across a range of model sizes and datasets, raising the question of how much to "overtrain" transformers when seeking compact, cheaper-to-run models. We find that L2 regularization may offer a path to more persistent ICL that removes the need for early stopping based on ICL-style validation tasks. Finally, we present initial evidence that ICL transience may be caused by competition between ICL and IWL circuits.
When is Agnostic Reinforcement Learning Statistically Tractable?
Venue: Conference NeurIPS 2023
Year: 2023

We study the problem of agnostic PAC reinforcement learning (RL): given a policy class $Π$, how many rounds of interaction with an unknown MDP (with a potentially large state and action space) are required to learn an $ε$-suboptimal policy with respect to $Π$? Towards that end, we introduce a new complexity measure, called the \emph{spanning capacity}, that depends solely on the set $Π$ and is independent of the MDP dynamics. With a generative model, we show that for any policy class $Π$, bounded spanning capacity characterizes PAC learnability. However, for online RL, the situation is more subtle. We show there exists a policy class $Π$ with a bounded spanning capacity that requires a superpolynomial number of samples to learn. This reveals a surprising separation for agnostic learnability between generative access and online access models (as well as between deterministic/stochastic MDPs under online access). On the positive side, we identify an additional \emph{sunflower} structure, which in conjunction with bounded spanning capacity enables statistically efficient online RL via a new algorithm called POPLER, which takes inspiration from classical importance sampling methods as well as techniques for reachable-state identification and policy evaluation in reward-free exploration.
Imagine the Unseen World: A Benchmark for Systematic Generalization in Visual World Models
Venue: Conference NeurIPS 2023
Year: 2023

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.
Convolutional Visual Prompt for Robust Visual Perception
Venue: Conference NeurIPS 2023
Year: 2023

Vision models are often vulnerable to out-of-distribution (OOD) samples without adapting. While visual prompts offer a lightweight method of input-space adaptation for large-scale vision models, they rely on a high-dimensional additive vector and labeled data. This leads to overfitting when adapting models in a self-supervised test-time setting without labels. We introduce convolutional visual prompts (CVP) for label-free test-time adaptation for robust visual perception. The structured nature of CVP demands fewer trainable parameters, less than 1\% compared to standard visual prompts, combating overfitting. Extensive experiments and analysis on a wide variety of OOD visual perception tasks show that our approach is effective, improving robustness by up to 5.87% over several large-scale models.
LVM-Med: Learning Large-Scale Self-Supervised Vision Models for Medical Imaging via Second-order Graph Matching
Venue: Conference NeurIPS 2023
Year: 2023

Obtaining large pre-trained models that can be fine-tuned to new tasks with limited annotated samples has remained an open challenge for medical imaging data. While pre-trained deep networks on ImageNet and vision-language foundation models trained on web-scale data are prevailing approaches, their effectiveness on medical tasks is limited due to the significant domain shift between natural and medical images. To bridge this gap, we introduce LVM-Med, the first family of deep networks trained on large-scale medical datasets. We have collected approximately 1.3 million medical images from 55 publicly available datasets, covering a large number of organs and modalities such as CT, MRI, X-ray, and Ultrasound. We benchmark several state-of-the-art self-supervised algorithms on this dataset and propose a novel self-supervised contrastive learning algorithm using a graph-matching formulation. The proposed approach makes three contributions: (i) it integrates prior pair-wise image similarity metrics based on local and global information; (ii) it captures the structural constraints of feature embeddings through a loss function constructed via a combinatorial graph-matching objective; and (iii) it can be trained efficiently end-to-end using modern gradient-estimation techniques for black-box solvers. We thoroughly evaluate the proposed LVM-Med on 15 downstream medical tasks ranging from segmentation and classification to object detection, and both for the in and out-of-distribution settings. LVM-Med empirically outperforms a number of state-of-the-art supervised, self-supervised, and foundation models. For challenging tasks such as Brain Tumor Classification or Diabetic Retinopathy Grading, LVM-Med improves previous vision-language models trained on 1 billion masks by 6-7% while using only a ResNet-50.
Lending Interaction Wings to Recommender Systems with Conversational Agents
Venue: Conference NeurIPS 2023
Year: 2023

Recommender systems trained on offline historical user behaviors are embracing conversational techniques to online query user preference. Unlike prior conversational recommendation approaches that systemically combine conversational and recommender parts through a reinforcement learning framework, we propose CORE, a new offline-training and online-checking paradigm that bridges a COnversational agent and REcommender systems via a unified uncertainty minimization framework. It can benefit any recommendation platform in a plug-and-play style. Here, CORE treats a recommender system as an offline relevance score estimator to produce an estimated relevance score for each item; while a conversational agent is regarded as an online relevance score checker to check these estimated scores in each session. We define uncertainty as the summation of unchecked relevance scores. In this regard, the conversational agent acts to minimize uncertainty via querying either attributes or items. Based on the uncertainty minimization framework, we derive the expected certainty gain of querying each attribute and item, and develop a novel online decision tree algorithm to decide what to query at each turn. Experimental results on 8 industrial datasets show that CORE could be seamlessly employed on 9 popular recommendation approaches. We further demonstrate that our conversational agent could communicate as a human if empowered by a pre-trained large language model.
High-Fidelity Audio Compression with Improved RVQGAN
Venue: Conference NeurIPS 2023
Year: 2023

Language models have been successfully used to model natural signals, such as images, speech, and music. A key component of these models is a high quality neural compression model that can compress high-dimensional natural signals into lower dimensional discrete tokens. To that end, we introduce a high-fidelity universal neural audio compression algorithm that achieves ~90x compression of 44.1 KHz audio into tokens at just 8kbps bandwidth. We achieve this by combining advances in high-fidelity audio generation with better vector quantization techniques from the image domain, along with improved adversarial and reconstruction losses. We compress all domains (speech, environment, music, etc.) with a single universal model, making it widely applicable to generative modeling of all audio. We compare with competing audio compression algorithms, and find our method outperforms them significantly. We provide thorough ablations for every design choice, as well as open-source code and trained model weights. We hope our work can lay the foundation for the next generation of high-fidelity audio modeling.
Comparing Apples to Oranges: Learning Similarity Functions for Data Produced by Different Distributions
Venue: Conference NeurIPS 2023
Year: 2023

Similarity functions measure how comparable pairs of elements are, and play a key role in a wide variety of applications, e.g., notions of Individual Fairness abiding by the seminal paradigm of Dwork et al., as well as Clustering problems. However, access to an accurate similarity function should not always be considered guaranteed, and this point was even raised by Dwork et al. For instance, it is reasonable to assume that when the elements to be compared are produced by different distributions, or in other words belong to different ``demographic'' groups, knowledge of their true similarity might be very difficult to obtain. In this work, we present an efficient sampling framework that learns these across-groups similarity functions, using only a limited amount of experts' feedback. We show analytical results with rigorous theoretical bounds, and empirically validate our algorithms via a large suite of experiments.
Scalable Transformer for PDE Surrogate Modeling
Venue: Conference NeurIPS 2023
Year: 2023

Transformer has shown state-of-the-art performance on various applications and has recently emerged as a promising tool for surrogate modeling of partial differential equations (PDEs). Despite the introduction of linear-complexity attention, applying Transformer to problems with a large number of grid points can be numerically unstable and computationally expensive. In this work, we propose Factorized Transformer (FactFormer), which is based on an axial factorized kernel integral. Concretely, we introduce a learnable projection operator that decomposes the input function into multiple sub-functions with one-dimensional domain. These sub-functions are then evaluated and used to compute the instance-based kernel with an axial factorized scheme. We showcase that the proposed model is able to simulate 2D Kolmogorov flow on a $256\times 256$ grid and 3D smoke buoyancy on a $64\times64\times64$ grid with good accuracy and efficiency. The proposed factorized scheme can serve as a computationally efficient low-rank surrogate for the full attention scheme when dealing with multi-dimensional problems.
Two Sides of The Same Coin: Bridging Deep Equilibrium Models and Neural ODEs via Homotopy Continuation
Venue: Conference NeurIPS 2023
Year: 2023

Deep Equilibrium Models (DEQs) and Neural Ordinary Differential Equations (Neural ODEs) are two branches of implicit models that have achieved remarkable success owing to their superior performance and low memory consumption. While both are implicit models, DEQs and Neural ODEs are derived from different mathematical formulations. Inspired by homotopy continuation, we establish a connection between these two models and illustrate that they are actually two sides of the same coin. Homotopy continuation is a classical method of solving nonlinear equations based on a corresponding ODE. Given this connection, we proposed a new implicit model called HomoODE that inherits the property of high accuracy from DEQs and the property of stability from Neural ODEs. Unlike DEQs, which explicitly solve an equilibrium-point-finding problem via Newton's methods in the forward pass, HomoODE solves the equilibrium-point-finding problem implicitly using a modified Neural ODE via homotopy continuation. Further, we developed an acceleration method for HomoODE with a shared learnable initial point. It is worth noting that our model also provides a better understanding of why Augmented Neural ODEs work as long as the augmented part is regarded as the equilibrium point to find. Comprehensive experiments with several image classification tasks demonstrate that HomoODE surpasses existing implicit models in terms of both accuracy and memory consumption.
Emergent and Predictable Memorization in Large Language Models
Venue: Conference NeurIPS 2023
Year: 2023

Memorization, or the tendency of large language models (LLMs) to output entire sequences from their training data verbatim, is a key concern for safely deploying language models. In particular, it is vital to minimize a model's memorization of sensitive datapoints such as those containing personal identifiable information (PII). The prevalence of such undesirable memorization can pose issues for model trainers, and may even require discarding an otherwise functional model. We therefore seek to predict which sequences will be memorized before a large model's full train-time by extrapolating the memorization behavior of lower-compute trial runs. We measure memorization of the Pythia model suite and plot scaling laws for forecasting memorization, allowing us to provide equi-compute recommendations to maximize the reliability (recall) of such predictions. We additionally provide further novel discoveries on the distribution of memorization scores across models and data. We release all code and data necessary to reproduce the results in this paper at https://github.com/EleutherAI/pythia
Mind2Web: Towards a Generalist Agent for the Web
Venue: Conference NeurIPS 2023
Year: 2023

We introduce Mind2Web, the first dataset for developing and evaluating generalist agents for the web that can follow language instructions to complete complex tasks on any website. Existing datasets for web agents either use simulated websites or only cover a limited set of websites and tasks, thus not suitable for generalist web agents. With over 2,000 open-ended tasks collected from 137 websites spanning 31 domains and crowdsourced action sequences for the tasks, Mind2Web provides three necessary ingredients for building generalist web agents: 1) diverse domains, websites, and tasks, 2) use of real-world websites instead of simulated and simplified ones, and 3) a broad spectrum of user interaction patterns. Based on Mind2Web, we conduct an initial exploration of using large language models (LLMs) for building generalist web agents. While the raw HTML of real-world websites are often too large to be fed to LLMs, we show that first filtering it with a small LM significantly improves the effectiveness and efficiency of LLMs. Our solution demonstrates a decent level of performance, even on websites or entire domains the model has never seen before, but there is still a substantial room to improve towards truly generalizable agents. We open-source our dataset, model implementation, and trained models (https://osu-nlp-group.github.io/Mind2Web) to facilitate further research on building a generalist agent for the web.
MultiMoDN—Multimodal, Multi-Task, Interpretable Modular Networks
Venue: Conference NeurIPS 2023
Year: 2023

Predicting multiple real-world tasks in a single model often requires a particularly diverse feature space. Multimodal (MM) models aim to extract the synergistic predictive potential of multiple data types to create a shared feature space with aligned semantic meaning across inputs of drastically varying sizes (i.e. images, text, sound). Most current MM architectures fuse these representations in parallel, which not only limits their interpretability but also creates a dependency on modality availability. We present MultiModN, a multimodal, modular network that fuses latent representations in a sequence of any number, combination, or type of modality while providing granular real-time predictive feedback on any number or combination of predictive tasks. MultiModN's composable pipeline is interpretable-by-design, as well as innately multi-task and robust to the fundamental issue of biased missingness. We perform four experiments on several benchmark MM datasets across 10 real-world tasks (predicting medical diagnoses, academic performance, and weather), and show that MultiModN's sequential MM fusion does not compromise performance compared with a baseline of parallel fusion. By simulating the challenging bias of missing not-at-random (MNAR), this work shows that, contrary to MultiModN, parallel fusion baselines erroneously learn MNAR and suffer catastrophic failure when faced with different patterns of MNAR at inference. To the best of our knowledge, this is the first inherently MNAR-resistant approach to MM modeling. In conclusion, MultiModN provides granular insights, robustness, and flexibility without compromising performance.
Topological Parallax: A Geometric Specification for Deep Perception Models
Venue: Conference NeurIPS 2023
Year: 2023

For safety and robustness of AI systems, we introduce topological parallax as a theoretical and computational tool that compares a trained model to a reference dataset to determine whether they have similar multiscale geometric structure. Our proofs and examples show that this geometric similarity between dataset and model is essential to trustworthy interpolation and perturbation, and we conjecture that this new concept will add value to the current debate regarding the unclear relationship between overfitting and generalization in applications of deep-learning. In typical DNN applications, an explicit geometric description of the model is impossible, but parallax can estimate topological features (components, cycles, voids, etc.) in the model by examining the effect on the Rips complex of geodesic distortions using the reference dataset. Thus, parallax indicates whether the model shares similar multiscale geometric features with the dataset. Parallax presents theoretically via topological data analysis [TDA] as a bi-filtered persistence module, and the key properties of this module are stable under perturbation of the reference dataset.
TransHP: Image Classification with Hierarchical Prompting
Venue: Conference NeurIPS 2023
Year: 2023

This paper explores a hierarchical prompting mechanism for the hierarchical image classification (HIC) task. Different from prior HIC methods, our hierarchical prompting is the first to explicitly inject ancestor-class information as a tokenized hint that benefits the descendant-class discrimination. We think it well imitates human visual recognition, i.e., humans may use the ancestor class as a prompt to draw focus on the subtle differences among descendant classes. We model this prompting mechanism into a Transformer with Hierarchical Prompting (TransHP). TransHP consists of three steps: 1) learning a set of prompt tokens to represent the coarse (ancestor) classes, 2) on-the-fly predicting the coarse class of the input image at an intermediate block, and 3) injecting the prompt token of the predicted coarse class into the intermediate feature. Though the parameters of TransHP maintain the same for all input images, the injected coarse-class prompt conditions (modifies) the subsequent feature extraction and encourages a dynamic focus on relatively subtle differences among the descendant classes. Extensive experiments show that TransHP improves image classification on accuracy (e.g., improving ViT-B/16 by +2.83% ImageNet classification accuracy), training data efficiency (e.g., +12.69% improvement under 10% ImageNet training data), and model explainability. Moreover, TransHP also performs favorably against prior HIC methods, showing that TransHP well exploits the hierarchical information. The code is available at: https://github.com/WangWenhao0716/TransHP.
Learning to Discover Skills through Guidance
Venue: Conference NeurIPS 2023
Year: 2023

In the field of unsupervised skill discovery (USD), a major challenge is limited exploration, primarily due to substantial penalties when skills deviate from their initial trajectories. To enhance exploration, recent methodologies employ auxiliary rewards to maximize the epistemic uncertainty or entropy of states. However, we have identified that the effectiveness of these rewards declines as the environmental complexity rises. Therefore, we present a novel USD algorithm, skill discovery with guidance (DISCO-DANCE), which (1) selects the guide skill that possesses the highest potential to reach unexplored states, (2) guides other skills to follow guide skill, then (3) the guided skills are dispersed to maximize their discriminability in unexplored states. Empirical evaluation demonstrates that DISCO-DANCE outperforms other USD baselines in challenging environments, including two navigation benchmarks and a continuous control benchmark. Qualitative visualizations and code of DISCO-DANCE are available at https://mynsng.github.io/discodance.