OpenRaiser/Intern-Atlas huggingface dataset:
Out-of-Distribution Detection by Leveraging Between-Layer Transformation Smoothness
Venue: Conference ICLR 2024
Year: 2024

Effective out-of-distribution (OOD) detection is crucial for reliable machine learning models, yet most current methods are limited in practical use due to requirements like access to training data or intervention in training. We present a novel method for detecting OOD data in Transformers based on transformation smoothness between intermediate layers of a network (BLOOD), which is applicable to pre-trained models without access to training data. BLOOD utilizes the tendency of between-layer representation transformations of in-distribution (ID) data to be smoother than the corresponding transformations of OOD data, a property that we also demonstrate empirically. We evaluate BLOOD on several text classification tasks with Transformer networks and demonstrate that it outperforms methods with comparable resource requirements. Our analysis also suggests that when learning simpler tasks, OOD data transformations maintain their original sharpness, whereas sharpness increases with more complex tasks.
PAC-FNO: Parallel-Structured All-Component Fourier Neural Operators for Recognizing Low-Quality Images
Venue: Conference ICLR 2024
Year: 2024

A standard practice in developing image recognition models is to train a model on a specific image resolution and then deploy it. However, in real-world inference, models often encounter images different from the training sets in resolution and/or subject to natural variations such as weather changes, noise types and compression artifacts. While traditional solutions involve training multiple models for different resolutions or input variations, these methods are computationally expensive and thus do not scale in practice. To this end, we propose a novel neural network model, parallel-structured and all-component Fourier neural operator (PAC-FNO), that addresses the problem. Unlike conventional feed-forward neural networks, PAC-FNO operates in the frequency domain, allowing it to handle images of varying resolutions within a single model. We also propose a two-stage algorithm for training PAC-FNO with a minimal modification to the original, downstream model. Moreover, the proposed PAC-FNO is ready to work with existing image recognition models. Extensively evaluating methods with seven image recognition benchmarks, we show that the proposed PAC-FNO improves the performance of existing baseline models on images with various resolutions by up to 77.1% and various types of natural variations in the images at inference.
Ground-A-Video: Zero-shot Grounded Video Editing using Text-to-image Diffusion Models
Venue: Conference ICLR 2024
Year: 2024

Recent endeavors in video editing have showcased promising results in single-attribute editing or style transfer tasks, either by training text-to-video (T2V) models on text-video data or adopting training-free methods. However, when confronted with the complexities of multi-attribute editing scenarios, they exhibit shortcomings such as omitting or overlooking intended attribute changes, modifying the wrong elements of the input video, and failing to preserve regions of the input video that should remain intact. To address this, here we present a novel grounding-guided video-to-video translation framework called Ground-A-Video for multi-attribute video editing. Ground-A-Video attains temporally consistent multi-attribute editing of input videos in a training-free manner without aforementioned shortcomings. Central to our method is the introduction of Cross-Frame Gated Attention which incorporates groundings information into the latent representations in a temporally consistent fashion, along with Modulated Cross-Attention and optical flow guided inverted latents smoothing. Extensive experiments and applications demonstrate that Ground-A-Video's zero-shot capacity outperforms other baseline methods in terms of edit-accuracy and frame consistency. Further results and code are available at our project page (http://ground-a-video.github.io).
Language Model Decoding as Direct Metrics Optimization
Venue: Conference ICLR 2024
Year: 2024

Despite the remarkable advances in language modeling, current mainstream decoding methods still struggle to generate texts that align with human texts across different aspects. In particular, sampling-based methods produce less-repetitive texts which are often disjunctive in discourse, while search-based methods maintain topic coherence at the cost of increased repetition. Overall, these methods fall short in achieving holistic alignment across a broad range of aspects. In this work, we frame decoding from a language model as an optimization problem with the goal of strictly matching the expected performance with human texts measured by multiple metrics of desired aspects simultaneously. The resulting decoding distribution enjoys an analytical solution that scales the input language model distribution via a sequence-level energy function defined by these metrics. And most importantly, we prove that this induced distribution is guaranteed to improve the perplexity on human texts, which suggests a better approximation to the underlying distribution of human texts. To facilitate tractable sampling from this globally normalized distribution, we adopt the Sampling-Importance-Resampling technique. Experiments on various domains and model scales demonstrate the superiority of our method in metrics alignment with human texts and human evaluation over strong baselines.
Towards Diverse Behaviors: A Benchmark for Imitation Learning with Human Demonstrations
Venue: Conference ICLR 2024
Year: 2024

Imitation learning with human data has demonstrated remarkable success in teaching robots in a wide range of skills. However, the inherent diversity in human behavior leads to the emergence of multi-modal data distributions, thereby presenting a formidable challenge for existing imitation learning algorithms. Quantifying a model's capacity to capture and replicate this diversity effectively is still an open problem. In this work, we introduce simulation benchmark environments and the corresponding Datasets with Diverse human Demonstrations for Imitation Learning (D3IL), designed explicitly to evaluate a model's ability to learn multi-modal behavior. Our environments are designed to involve multiple sub-tasks that need to be solved, consider manipulation of multiple objects which increases the diversity of the behavior and can only be solved by policies that rely on closed loop sensory feedback. Other available datasets are missing at least one of these challenging properties. To address the challenge of diversity quantification, we introduce tractable metrics that provide valuable insights into a model's ability to acquire and reproduce diverse behaviors. These metrics offer a practical means to assess the robustness and versatility of imitation learning algorithms. Furthermore, we conduct a thorough evaluation of state-of-the-art methods on the proposed task suite. This evaluation serves as a benchmark for assessing their capability to learn diverse behaviors. Our findings shed light on the effectiveness of these methods in tackling the intricate problem of capturing and generalizing multi-modal human behaviors, offering a valuable reference for the design of future imitation learning algorithms.
Negative Label Guided OOD Detection with Pretrained Vision-Language Models
Venue: Conference ICLR 2024
Year: 2024

Out-of-distribution (OOD) detection aims at identifying samples from unknown classes, playing a crucial role in trustworthy models against errors on unexpected inputs. Extensive research has been dedicated to exploring OOD detection in the vision modality. Vision-language models (VLMs) can leverage both textual and visual information for various multi-modal applications, whereas few OOD detection methods take into account information from the text modality. In this paper, we propose a novel post hoc OOD detection method, called NegLabel, which takes a vast number of negative labels from extensive corpus databases. We design a novel scheme for the OOD score collaborated with negative labels. Theoretical analysis helps to understand the mechanism of negative labels. Extensive experiments demonstrate that our method NegLabel achieves state-of-the-art performance on various OOD detection benchmarks and generalizes well on multiple VLM architectures. Furthermore, our method NegLabel exhibits remarkable robustness against diverse domain shifts. The codes are available at https://github.com/tmlr-group/NegLabel.
DOS: Diverse Outlier Sampling for Out-of-Distribution Detection
Venue: Conference ICLR 2024
Year: 2024

Modern neural networks are known to give overconfident prediction for out-of-distribution inputs when deployed in the open world. It is common practice to leverage a surrogate outlier dataset to regularize the model during training, and recent studies emphasize the role of uncertainty in designing the sampling strategy for outlier dataset. However, the OOD samples selected solely based on predictive uncertainty can be biased towards certain types, which may fail to capture the full outlier distribution. In this work, we empirically show that diversity is critical in sampling outliers for OOD detection performance. Motivated by the observation, we propose a straightforward and novel sampling strategy named DOS (Diverse Outlier Sampling) to select diverse and informative outliers. Specifically, we cluster the normalized features at each iteration, and the most informative outlier from each cluster is selected for model training with absent category loss. With DOS, the sampled outliers efficiently shape a globally compact decision boundary between ID and OOD data. Extensive experiments demonstrate the superiority of DOS, reducing the average FPR95 by up to 25.79% on CIFAR-100 with TI-300K.
A Black-box Approach for Non-stationary Multi-agent Reinforcement Learning
Venue: Conference ICLR 2024
Year: 2024

We investigate learning the equilibria in non-stationary multi-agent systems and address the challenges that differentiate multi-agent learning from single-agent learning. Specifically, we focus on games with bandit feedback, where testing an equilibrium can result in substantial regret even when the gap to be tested is small, and the existence of multiple optimal solutions (equilibria) in stationary games poses extra challenges. To overcome these obstacles, we propose a versatile black-box approach applicable to a broad spectrum of problems, such as general-sum games, potential games, and Markov games, when equipped with appropriate learning and testing oracles for stationary environments. Our algorithms can achieve $\widetilde{O}\left(Δ^{1/4}T^{3/4}\right)$ regret when the degree of nonstationarity, as measured by total variation $Δ$, is known, and $\widetilde{O}\left(Δ^{1/5}T^{4/5}\right)$ regret when $Δ$ is unknown, where $T$ is the number of rounds. Meanwhile, our algorithm inherits the favorable dependence on number of agents from the oracles. As a side contribution that may be independent of interest, we show how to test for various types of equilibria by a black-box reduction to single-agent learning, which includes Nash equilibria, correlated equilibria, and coarse correlated equilibria.
GraphCare: Enhancing Healthcare Predictions with Personalized Knowledge Graphs
Venue: Conference ICLR 2024
Year: 2024

Clinical predictive models often rely on patients' electronic health records (EHR), but integrating medical knowledge to enhance predictions and decision-making is challenging. This is because personalized predictions require personalized knowledge graphs (KGs), which are difficult to generate from patient EHR data. To address this, we propose \textsc{GraphCare}, an open-world framework that uses external KGs to improve EHR-based predictions. Our method extracts knowledge from large language models (LLMs) and external biomedical KGs to build patient-specific KGs, which are then used to train our proposed Bi-attention AugmenTed (BAT) graph neural network (GNN) for healthcare predictions. On two public datasets, MIMIC-III and MIMIC-IV, \textsc{GraphCare} surpasses baselines in four vital healthcare prediction tasks: mortality, readmission, length of stay (LOS), and drug recommendation. On MIMIC-III, it boosts AUROC by 17.6\% and 6.6\% for mortality and readmission, and F1-score by 7.9\% and 10.8\% for LOS and drug recommendation, respectively. Notably, \textsc{GraphCare} demonstrates a substantial edge in scenarios with limited data availability. Our findings highlight the potential of using external KGs in healthcare prediction tasks and demonstrate the promise of \textsc{GraphCare} in generating personalized KGs for promoting personalized medicine.
Principled Federated Domain Adaptation: Gradient Projection and Auto-Weighting
Venue: Conference ICLR 2024
Year: 2024

Federated Domain Adaptation (FDA) describes the federated learning (FL) setting where source clients and a server work collaboratively to improve the performance of a target client where limited data is available. The domain shift between the source and target domains, coupled with limited data of the target client, makes FDA a challenging problem, e.g., common techniques such as federated averaging and fine-tuning fail due to domain shift and data scarcity. To theoretically understand the problem, we introduce new metrics that characterize the FDA setting and a theoretical framework with novel theorems for analyzing the performance of server aggregation rules. Further, we propose a novel lightweight aggregation rule, Federated Gradient Projection ($\texttt{FedGP}$), which significantly improves the target performance with domain shift and data scarcity. Moreover, our theory suggests an $\textit{auto-weighting scheme}$ that finds the optimal combinations of the source and target gradients. This scheme improves both $\texttt{FedGP}$ and a simpler heuristic aggregation rule. Extensive experiments verify the theoretical insights and illustrate the effectiveness of the proposed methods in practice.
Large Brain Model for Learning Generic Representations with Tremendous EEG Data in BCI
Venue: Conference ICLR 2024
Year: 2024

The current electroencephalogram (EEG) based deep learning models are typically designed for specific datasets and applications in brain-computer interaction (BCI), limiting the scale of the models and thus diminishing their perceptual capabilities and generalizability. Recently, Large Language Models (LLMs) have achieved unprecedented success in text processing, prompting us to explore the capabilities of Large EEG Models (LEMs). We hope that LEMs can break through the limitations of different task types of EEG datasets, and obtain universal perceptual capabilities of EEG signals through unsupervised pre-training. Then the models can be fine-tuned for different downstream tasks. However, compared to text data, the volume of EEG datasets is generally small and the format varies widely. For example, there can be mismatched numbers of electrodes, unequal length data samples, varied task designs, and low signal-to-noise ratio. To overcome these challenges, we propose a unified foundation model for EEG called Large Brain Model (LaBraM). LaBraM enables cross-dataset learning by segmenting the EEG signals into EEG channel patches. Vector-quantized neural spectrum prediction is used to train a semantically rich neural tokenizer that encodes continuous raw EEG channel patches into compact neural codes. We then pre-train neural Transformers by predicting the original neural codes for the masked EEG channel patches. The LaBraMs were pre-trained on about 2,500 hours of various types of EEG signals from around 20 datasets and validated on multiple different types of downstream tasks. Experiments on abnormal detection, event type classification, emotion recognition, and gait prediction show that our LaBraM outperforms all compared SOTA methods in their respective fields. Our code is available at https://github.com/935963004/LaBraM.
Space Group Constrained Crystal Generation
Venue: Conference ICLR 2024
Year: 2024

Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods seldom consider the space group constraint which is crucial in describing the geometry of crystals and closely relevant to many desirable properties. However, considering space group constraint is challenging owing to its diverse and nontrivial forms. In this paper, we reduce the space group constraint into an equivalent formulation that is more tractable to be handcrafted into the generation process. In particular, we translate the space group constraint into two parts: the basis constraint of the invariant logarithmic space of the lattice matrix and the Wyckoff position constraint of the fractional coordinates. Upon the derived constraints, we then propose DiffCSP++, a novel diffusion model that has enhanced a previous work DiffCSP by further taking space group constraint into account. Experiments on several popular datasets verify the benefit of the involvement of the space group constraint, and show that our DiffCSP++ achieves promising performance on crystal structure prediction, ab initio crystal generation and controllable generation with customized space groups.
NAISR: A 3D Neural Additive Model for Interpretable Shape Representation
Venue: Conference ICLR 2024
Year: 2024

Deep implicit functions (DIFs) have emerged as a powerful paradigm for many computer vision tasks such as 3D shape reconstruction, generation, registration, completion, editing, and understanding. However, given a set of 3D shapes with associated covariates there is at present no shape representation method which allows to precisely represent the shapes while capturing the individual dependencies on each covariate. Such a method would be of high utility to researchers to discover knowledge hidden in a population of shapes. For scientific shape discovery, we propose a 3D Neural Additive Model for Interpretable Shape Representation ($\texttt{NAISR}$) which describes individual shapes by deforming a shape atlas in accordance to the effect of disentangled covariates. Our approach captures shape population trends and allows for patient-specific predictions through shape transfer. $\texttt{NAISR}$ is the first approach to combine the benefits of deep implicit shape representations with an atlas deforming according to specified covariates. We evaluate $\texttt{NAISR}$ with respect to shape reconstruction, shape disentanglement, shape evolution, and shape transfer on three datasets: 1) $\textit{Starman}$, a simulated 2D shape dataset; 2) the ADNI hippocampus 3D shape dataset; and 3) a pediatric airway 3D shape dataset. Our experiments demonstrate that $\textit{Starman}$ achieves excellent shape reconstruction performance while retaining interpretability. Our code is available at $\href{https://github.com/uncbiag/NAISR}{https://github.com/uncbiag/NAISR}$.
SWE-bench: Can Language Models Resolve Real-world Github Issues?
Venue: Conference ICLR 2024
Year: 2024

Language models have outpaced our ability to evaluate them effectively, but for their future development it is essential to study the frontier of their capabilities. We find real-world software engineering to be a rich, sustainable, and challenging testbed for evaluating the next generation of language models. To this end, we introduce SWE-bench, an evaluation framework consisting of $2,294$ software engineering problems drawn from real GitHub issues and corresponding pull requests across $12$ popular Python repositories. Given a codebase along with a description of an issue to be resolved, a language model is tasked with editing the codebase to address the issue. Resolving issues in SWE-bench frequently requires understanding and coordinating changes across multiple functions, classes, and even files simultaneously, calling for models to interact with execution environments, process extremely long contexts and perform complex reasoning that goes far beyond traditional code generation tasks. Our evaluations show that both state-of-the-art proprietary models and our fine-tuned model SWE-Llama can resolve only the simplest issues. The best-performing model, Claude 2, is able to solve a mere $1.96$% of the issues. Advances on SWE-bench represent steps towards LMs that are more practical, intelligent, and autonomous.
Can Large Language Models Infer Causation from Correlation?
Venue: Conference ICLR 2024
Year: 2024

Causal inference is one of the hallmarks of human intelligence. While the field of CausalNLP has attracted much interest in the recent years, existing causal inference datasets in NLP primarily rely on discovering causality from empirical knowledge (e.g., commonsense knowledge). In this work, we propose the first benchmark dataset to test the pure causal inference skills of large language models (LLMs). Specifically, we formulate a novel task Corr2Cause, which takes a set of correlational statements and determines the causal relationship between the variables. We curate a large-scale dataset of more than 200K samples, on which we evaluate seventeen existing LLMs. Through our experiments, we identify a key shortcoming of LLMs in terms of their causal inference skills, and show that these models achieve almost close to random performance on the task. This shortcoming is somewhat mitigated when we try to re-purpose LLMs for this skill via finetuning, but we find that these models still fail to generalize -- they can only perform causal inference in in-distribution settings when variable names and textual expressions used in the queries are similar to those in the training set, but fail in out-of-distribution settings generated by perturbing these queries. Corr2Cause is a challenging task for LLMs, and would be helpful in guiding future research on improving LLMs' pure reasoning skills and generalizability. Our data is at https://huggingface.co/datasets/causalnlp/corr2cause. Our code is at https://github.com/causalNLP/corr2cause.
Unified Language-Vision Pretraining in LLM with Dynamic Discrete Visual Tokenization
Venue: Conference ICLR 2024
Year: 2024

Recently, the remarkable advance of the Large Language Model (LLM) has inspired researchers to transfer its extraordinary reasoning capability to both vision and language data. However, the prevailing approaches primarily regard the visual input as a prompt and focus exclusively on optimizing the text generation process conditioned upon vision content by a frozen LLM. Such an inequitable treatment of vision and language heavily constrains the model's potential. In this paper, we break through this limitation by representing both vision and language in a unified form. Specifically, we introduce a well-designed visual tokenizer to translate the non-linguistic image into a sequence of discrete tokens like a foreign language that LLM can read. The resulting visual tokens encompass high-level semantics worthy of a word and also support dynamic sequence length varying from the image. Coped with this tokenizer, the presented foundation model called LaVIT can handle both image and text indiscriminately under the same generative learning paradigm. This unification empowers LaVIT to serve as an impressive generalist interface to understand and generate multi-modal content simultaneously. Extensive experiments further showcase that it outperforms the existing models by a large margin on massive vision-language tasks. Our code and models are available at https://github.com/jy0205/LaVIT.