Jiuhai Chen

Lichang Chen, Jiuhai Chen, Tom Goldstein et al.

Large language models~(LLMs) are instruction followers, but it can be challenging to find the best instruction for different situations, especially for black-box LLMs on which backpropagation is forbidden. Instead of directly optimizing the discrete instruction, we optimize a low-dimensional soft prompt applied to an open-source LLM to generate the instruction for the black-box LLM. On each iteration of the proposed method, which we call InstructZero, a soft prompt is converted into an instruction using the open-source LLM, which is then submitted to the black-box LLM for zero-shot evaluation, and the performance is sent to Bayesian optimization to produce new soft prompts improving the zero-shot performance. We evaluate InstructZero on different combinations of open-source LLMs and APIs including Vicuna and ChatGPT. Our results show that InstructZero outperforms SOTA auto-instruction methods across a variety of downstream tasks. Our code and data are publicly available at https://github.com/Lichang-Chen/InstructZero.

Ming Li, Yong Zhang, Zhitao Li et al.

In the realm of Large Language Models (LLMs), the balance between instruction data quality and quantity is a focal point. Recognizing this, we introduce a self-guided methodology for LLMs to autonomously discern and select cherry samples from open-source datasets, effectively minimizing manual curation and potential cost for instruction tuning an LLM. Our key innovation, the Instruction-Following Difficulty (IFD) metric, emerges as a pivotal metric to identify discrepancies between a model's expected responses and its intrinsic generation capability. Through the application of IFD, cherry samples can be pinpointed, leading to a marked uptick in model training efficiency. Empirical validations on datasets like Alpaca and WizardLM underpin our findings; with a mere $10\%$ of original data input, our strategy showcases improved results. This synthesis of self-guided cherry-picking and the IFD metric signifies a transformative leap in the instruction tuning of LLMs, promising both efficiency and resource-conscious advancements. Codes, data, and models are available: https://github.com/tianyi-lab/Cherry_LLM

Jiuhai Chen, Jonas Mueller, Vassilis N. Ioannidis et al.

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are commonly extracted from raw data which is of text or tabular (numeric/categorical) type in most real-world applications. The best models for such data types in most standard supervised learning settings with IID (non-graph) data are not simple neural network layers and thus are not easily incorporated into a GNN. Here we propose a robust stacking framework that fuses graph-aware propagation with arbitrary models intended for IID data, which are ensembled and stacked in multiple layers. Our layer-wise framework leverages bagging and stacking strategies to enjoy strong generalization, in a manner which effectively mitigates label leakage and overfitting. Across a variety of graph datasets with tabular/text node features, our method achieves comparable or superior performance relative to both tabular/text and graph neural network models, as well as existing state-of-the-art hybrid strategies that combine the two.

Jiuhai Chen, Lichang Chen, Chen Zhu et al.

Large language models (LLMs) are capable to perform complex reasoning by in-context learning (ICL) when provided with a few input-output demonstrations (demos) and more powerful when intermediate reasoning steps ("chain of thoughts (CoT)") of the demos are given. Is it necessary to use multi-demo in ICL? In this paper, we study ICL using fewer demos for each test query on the tasks in~\cite{wei2022chain}. Surprisingly, we do not observe significant degradation when using only one randomly chosen demo. To study this phenomenon, for each test query, we categorize demos into "correct demos" leading to the correct answer, and "wrong demos" resulting in wrong answers. Our analysis reveals an inherent bias in those widely studied datasets: most demos are correct for a majority of test queries, which explains the good performance of using one random demo. Moreover, ICL (with and w/o CoT) using only one correct demo significantly outperforms all-demo ICL adopted by most previous works, indicating the weakness of LLMs in finding correct demo(s) for input queries, which is difficult to evaluate on the biased datasets. Furthermore, we observe a counterintuitive behavior of ICL using multi-demo, i.e., its accuracy degrades(improves) when given more correct(wrong) demos. This implies that ICL can be easily misguided by interference among demos and their spurious correlations. Our analyses highlight several fundamental challenges that need to be addressed in LLMs training, ICL, and benchmark design.

Jiuhai Chen, Lichang Chen, Heng Huang et al.

Chain-of-Thought (CoT) prompting can effectively elicit complex multi-step reasoning from Large Language Models~(LLMs). For example, by simply adding CoT instruction ``Let's think step-by-step'' to each input query of MultiArith dataset, GPT-3's accuracy can be improved from 17.7\% to 78.7\%. However, it is not clear whether CoT is still effective on more recent instruction finetuned (IFT) LLMs such as ChatGPT. Surprisingly, on ChatGPT, CoT is no longer effective for certain tasks such as arithmetic reasoning while still keeping effective on other reasoning tasks. Moreover, on the former tasks, ChatGPT usually achieves the best performance and can generate CoT even without being instructed to do so. Hence, it is plausible that ChatGPT has already been trained on these tasks with CoT and thus memorized the instruction so it implicitly follows such an instruction when applied to the same queries, even without CoT. Our analysis reflects a potential risk of overfitting/bias toward instructions introduced in IFT, which becomes more common in training LLMs. In addition, it indicates possible leakage of the pretraining recipe, e.g., one can verify whether a dataset and instruction were used in training ChatGPT. Our experiments report new baseline results of ChatGPT on a variety of reasoning tasks and shed novel insights into LLM's profiling, instruction memorization, and pretraining dataset leakage.

Ming Li, Lichang Chen, Jiuhai Chen et al.

Recent advancements in Large Language Models (LLMs) have expanded the horizons of natural language understanding and generation. Notably, the output control and alignment with the input of LLMs can be refined through instruction tuning. However, as highlighted in several studies, low-quality data in the training set are usually detrimental to instruction tuning, resulting in inconsistent or even misleading LLM outputs. We propose a novel method, termed "reflection-tuning," which addresses the problem by self-improvement and judging capabilities of LLMs. This approach utilizes an oracle LLM to recycle the original training data by introspecting and enhancing the quality of instructions and responses in the data. Extensive experiments on widely used evaluation benchmarks show that LLMs trained with our recycled data outperform those trained with existing datasets in various benchmarks.

Jiuhai Chen, Zhiyang Xu, Xichen Pan et al.

Unifying image understanding and generation has gained growing attention in recent research on multimodal models. Although design choices for image understanding have been extensively studied, the optimal model architecture and training recipe for a unified framework with image generation remain underexplored. Motivated by the strong potential of autoregressive and diffusion models for high-quality generation and scalability, we conduct a comprehensive study of their use in unified multimodal settings, with emphasis on image representations, modeling objectives, and training strategies. Grounded in these investigations, we introduce a novel approach that employs a diffusion transformer to generate semantically rich CLIP image features, in contrast to conventional VAE-based representations. This design yields both higher training efficiency and improved generative quality. Furthermore, we demonstrate that a sequential pretraining strategy for unified models-first training on image understanding and subsequently on image generation-offers practical advantages by preserving image understanding capability while developing strong image generation ability. Finally, we carefully curate a high-quality instruction-tuning dataset BLIP3o-60k for image generation by prompting GPT-4o with a diverse set of captions covering various scenes, objects, human gestures, and more. Building on our innovative model design, training recipe, and datasets, we develop BLIP3-o, a suite of state-of-the-art unified multimodal models. BLIP3-o achieves superior performance across most of the popular benchmarks spanning both image understanding and generation tasks. To facilitate future research, we fully open-source our models, including code, model weights, training scripts, and pretraining and instruction tuning datasets.

Jiuhai Chen, Jonas Mueller

We introduce BSDetector, a method for detecting bad and speculative answers from a pretrained Large Language Model by estimating a numeric confidence score for any output it generated. Our uncertainty quantification technique works for any LLM accessible only via a black-box API, whose training data remains unknown. By expending a bit of extra computation, users of any LLM API can now get the same response as they would ordinarily, as well as a confidence estimate that cautions when not to trust this response. Experiments on both closed and open-form Question-Answer benchmarks reveal that BSDetector more accurately identifies incorrect LLM responses than alternative uncertainty estimation procedures (for both GPT-3 and ChatGPT). By sampling multiple responses from the LLM and considering the one with the highest confidence score, we can additionally obtain more accurate responses from the same LLM, without any extra training steps. In applications involving automated evaluation with LLMs, accounting for our confidence scores leads to more reliable evaluation in both human-in-the-loop and fully-automated settings (across both GPT 3.5 and 4).

Jiuhai Chen, Jianwei Yang, Haiping Wu et al.

We present Florence-VL, a new family of multimodal large language models (MLLMs) with enriched visual representations produced by Florence-2, a generative vision foundation model. Unlike the widely used CLIP-style vision transformer trained by contrastive learning, Florence-2 can capture different levels and aspects of visual features, which are more versatile to be adapted to diverse downstream tasks. We propose a novel feature-fusion architecture and an innovative training recipe that effectively integrates Florence-2's visual features into pretrained LLMs, such as Phi 3.5 and LLama 3. In particular, we propose "depth-breath fusion (DBFusion)" to fuse the visual features extracted from different depths and under multiple prompts. Our model training is composed of end-to-end pretraining of the whole model followed by finetuning of the projection layer and the LLM, on a carefully designed recipe of diverse open-source datasets that include high-quality image captions and instruction-tuning pairs. Our quantitative analysis and visualization of Florence-VL's visual features show its advantages over popular vision encoders on vision-language alignment, where the enriched depth and breath play important roles. Florence-VL achieves significant improvements over existing state-of-the-art MLLMs across various multi-modal and vision-centric benchmarks covering general VQA, perception, hallucination, OCR, Chart, knowledge-intensive understanding, etc. To facilitate future research, our models and the complete training recipe are open-sourced. https://github.com/JiuhaiChen/Florence-VL

Yongyuan Liang, Wei Chow, Feng Li et al.

Unified multimodal models (UMMs) have emerged as a powerful paradigm for seamlessly unifying text and image understanding and generation. However, prevailing evaluations treat these abilities in isolation, such that tasks with multimodal inputs and outputs are scored primarily through unimodal reasoning, i.e., textual benchmarks emphasize language-based reasoning, while visual benchmarks emphasize reasoning outcomes manifested in the pixels. We introduce ROVER to address this pressing need to test reciprocal cross-modal reasoning, the use of one modality to guide, verify, or refine outputs in the other, an ability central to the vision of unified multimodal intelligence. ROVER is a human-annotated benchmark that explicitly targets reciprocal cross-modal reasoning, which contains 1312 tasks grounded in 1876 images, spanning two complementary settings. Verbally-augmented reasoning for visual generation evaluates whether models can use verbal prompts and reasoning chains to guide faithful image synthesis. Visually-augmented reasoning for verbal generation evaluates whether models can generate intermediate visualizations that strengthen their own reasoning processes for question answering. Experiments on 17 unified models reveal two key findings: (i) Cross-modal reasoning determines visual generation quality, with interleaved models significantly outperforming non-interleaved ones; notably, combining strong unimodal models fails to achieve comparable reasoning. (ii) Models show dissociation between physical and symbolic reasoning: they succeed at interpreting perceptual concepts literally but fail to construct visual abstractions for symbolic tasks, where faulty reasoning harms performance. These results highlight reciprocal cross-modal reasoning as a critical frontier for enabling true omnimodal generation.

Jiuhai Chen, Le Xue, Zhiyang Xu et al.

We present BLIP3o-NEXT, a fully open-source foundation model in the BLIP3 series that advances the next frontier of native image generation. BLIP3o-NEXT unifies text-to-image generation and image editing within a single architecture, demonstrating strong image generation and image editing capabilities. In developing the state-of-the-art native image generation model, we identify four key insights: (1) Most architectural choices yield comparable performance; an architecture can be deemed effective provided it scales efficiently and supports fast inference; (2) The successful application of reinforcement learning can further push the frontier of native image generation; (3) Image editing still remains a challenging task, yet instruction following and the consistency between generated and reference images can be significantly enhanced through post-training and data engine; (4) Data quality and scale continue to be decisive factors that determine the upper bound of model performance. Building upon these insights, BLIP3o-NEXT leverages an Autoregressive + Diffusion architecture in which an autoregressive model first generates discrete image tokens conditioned on multimodal inputs, whose hidden states are then used as conditioning signals for a diffusion model to generate high-fidelity images. This architecture integrates the reasoning strength and instruction following of autoregressive models with the fine-detail rendering ability of diffusion models, achieving a new level of coherence and realism. Extensive evaluations of various text-to-image and image-editing benchmarks show that BLIP3o-NEXT achieves superior performance over existing models.

Lichang Chen, Chen Zhu, Davit Soselia et al.

In this work, we study the issue of reward hacking on the response length, a challenge emerging in Reinforcement Learning from Human Feedback (RLHF) on LLMs. A well-formatted, verbose but less helpful response from the LLMs can often deceive LLMs or even human evaluators to achieve high scores. The same issue also holds for some reward models in RL. To address the challenges in both training and evaluation, we establish a more reliable evaluation protocol for comparing different training configurations, which inspects the trade-off between LLM evaluation score and response length obtained by varying training hyperparameters. Based on this evaluation, we conduct large-scale studies, where the results shed insights into the efficacy of hyperparameters and tricks used in RL on mitigating length bias. We further propose to improve the reward model by jointly training two linear heads on shared feature representations to predict the rewards, one trained to correlate with length, and the other trained to decorrelate with length and therefore focus more on the actual content. We then discard the length head in RL to prevent reward hacking on length. Experiments demonstrate that our approach almost eliminates the reward correlation with length, and improves the obtained policy by a significant margin.

Xichen Pan, Satya Narayan Shukla, Aashu Singh et al.

Unified multimodal models aim to integrate understanding (text output) and generation (pixel output), but aligning these different modalities within a single architecture often demands complex training recipes and careful data balancing. We introduce MetaQueries, a set of learnable queries that act as an efficient interface between autoregressive multimodal LLMs (MLLMs) and diffusion models. MetaQueries connects the MLLM's latents to the diffusion decoder, enabling knowledge-augmented image generation by leveraging the MLLM's deep understanding and reasoning capabilities. Our method simplifies training, requiring only paired image-caption data and standard diffusion objectives. Notably, this transfer is effective even when the MLLM backbone remains frozen, thereby preserving its state-of-the-art multimodal understanding capabilities while achieving strong generative performance. Additionally, our method is flexible and can be easily instruction-tuned for advanced applications such as image editing and subject-driven generation.

Ming Li, Lichang Chen, Jiuhai Chen et al.

Instruction tuning is critical to large language models (LLMs) for achieving better instruction following and task adaptation capabilities but its success heavily relies on the training data quality. Many recent methods focus on improving the data quality but often overlook the compatibility of the data with the student model being finetuned. This paper introduces Selective Reflection-Tuning, a novel paradigm that synergizes a teacher LLM's reflection and introspection for improving existing data quality with the data selection capability of the student LLM, to automatically refine existing instruction-tuning data. This teacher-student collaboration produces high-quality and student-compatible instruction-response pairs, resulting in sample-efficient instruction tuning and LLMs of superior performance. Selective Reflection-Tuning is a data augmentation and synthesis that generally improves LLM finetuning and self-improvement without collecting brand-new data. We apply our method to Alpaca and WizardLM data and achieve much stronger and top-tier 7B and 13B LLMs.

Xiyao Wang, Jiuhai Chen, Zhaoyang Wang et al.

Large vision-language models (LVLMs) have achieved impressive results in visual question-answering and reasoning tasks through vision instruction tuning on specific datasets. However, there remains significant room for improvement in aligning visual and language modalities. Existing methods often depend on external models or data, leading to uncontrollable and unstable alignment results. In this paper, we propose SIMA, a self-improvement framework that enhances visual and language modality alignment without external dependencies. SIMA leverages existing vision instruction tuning datasets to self-generate responses, incorporating an in-context self-critic mechanism that constructs preference pairs for tuning. Crucially, our approach allows LVLMs to act as critics by designing effective critic prompts, eliminating the need for additional fine-tuning with external instruction data. We introduce three novel visual metrics within the self-critic process to guide judgment, significantly improving the accuracy of self-critic. Through extensive experiments across 14 hallucination and comprehensive benchmarks, we demonstrate that SIMA significantly improves LVLM's performance and outperforms previous approaches, achieving superior modality alignment.

Ming Li, Jiuhai Chen, Lichang Chen et al.

Making LLMs speak for different, especially minority groups of people, and generate statements supporting their diverse or even controversial perspectives is critical to creating an inclusive environment. However, existing LLMs lack sufficient controllability to the stance of their generated content, which often contains inconsistent, neutral, or biased statements. In this paper, we improve the controllability of LLMs in generating statements supporting an argument the user defined in the prompt. We find that multi-round debates between two LLMs with opposite stances generate higher-quality and more salient statements for each, which are important training data to improve the controllability of LLMs. Motivated by this, we develop a novel debate & tuning (DEBATUNE) pipeline finetuning LLMs to generate the statements obtained via debate. To examine DEBATUNE, we curate the largest dataset of debate topics so far, which covers 710 controversial topics and corresponding arguments for each topic. Evaluations by the GPT-4 judge with a novel controversy controllability metric show that LLMs' capability of generating diverse perspectives is significantly improved by DEBATUNE. Moreover, such controllability can be generalized to unseen topics, generating high-quality statements supporting controversial arguments.

Yijun Liang, Ming Li, Chenrui Fan et al.

Color plays an important role in human perception and usually provides critical clues in visual reasoning. However, it is unclear whether and how vision-language models (VLMs) can perceive, understand, and leverage color as humans. This paper introduces ColorBench, an innovative benchmark meticulously crafted to assess the capabilities of VLMs in color understanding, including color perception, reasoning, and robustness. By curating a suite of diverse test scenarios, with grounding in real applications, ColorBench evaluates how these models perceive colors, infer meanings from color-based cues, and maintain consistent performance under varying color transformations. Through an extensive evaluation of 32 VLMs with varying language models and vision encoders, our paper reveals some undiscovered findings: (i) The scaling law (larger models are better) still holds on ColorBench, while the language model plays a more important role than the vision encoder. (ii) However, the performance gaps across models are relatively small, indicating that color understanding has been largely neglected by existing VLMs. (iii) CoT reasoning improves color understanding accuracies and robustness, though they are vision-centric tasks. (iv) Color clues are indeed leveraged by VLMs on ColorBench but they can also mislead models in some tasks. These findings highlight the critical limitations of current VLMs and underscore the need to enhance color comprehension. Our ColorBenchcan serve as a foundational tool for advancing the study of human-level color understanding of multimodal AI.

Zhiyang Xu, Jiuhai Chen, Zhaojiang Lin et al.

Recent advances in large language models (LLMs) have enabled multimodal foundation models to tackle both image understanding and generation within a unified framework. Despite these gains, unified models often underperform compared to specialized models in either task. A key challenge in developing unified models lies in the inherent differences between the visual features needed for image understanding versus generation, as well as the distinct training processes required for each modality. In this work, we introduce Pisces, an auto-regressive multimodal foundation model that addresses this challenge through a novel decoupled visual encoding architecture and tailored training techniques optimized for multimodal generation. Combined with meticulous data curation, pretraining, and finetuning, Pisces achieves competitive performance in both image understanding and image generation. We evaluate Pisces on over 20 public benchmarks for image understanding, where it demonstrates strong performance across a wide range of tasks. Additionally, on GenEval, a widely adopted benchmark for image generation, Pisces exhibits robust generative capabilities. Our extensive analysis reveals the synergistic relationship between image understanding and generation, and the benefits of using separate visual encoders, advancing the field of unified multimodal models.

Ying Shen, Zhiyang Xu, Jiuhai Chen et al.

Recent advances in multimodal foundation models unifying image understanding and generation have opened exciting avenues for tackling a wide range of vision-language tasks within a single framework. Despite progress, existing unified models typically require extensive pretraining and struggle to achieve the same level of performance compared to models dedicated to each task. Additionally, many of these models suffer from slow image generation speeds, limiting their practical deployment in real-time or resource-constrained settings. In this work, we propose Layerwise Timestep-Expert Flow-based Transformer (LaTtE-Flow), a novel and efficient architecture that unifies image understanding and generation within a single multimodal model. LaTtE-Flow builds upon powerful pretrained Vision-Language Models (VLMs) to inherit strong multimodal understanding capabilities, and extends them with a novel Layerwise Timestep Experts flow-based architecture for efficient image generation. LaTtE-Flow distributes the flow-matching process across specialized groups of Transformer layers, each responsible for a distinct subset of timesteps. This design significantly improves sampling efficiency by activating only a small subset of layers at each sampling timestep. To further enhance performance, we propose a Timestep-Conditioned Residual Attention mechanism for efficient information reuse across layers. Experiments demonstrate that LaTtE-Flow achieves strong performance on multimodal understanding tasks, while achieving competitive image generation quality with around 6x faster inference speed compared to recent unified multimodal models.

Dang Nguyen, Jiuhai Chen, Tianyi Zhou

Large language models (LLMs), despite their breakthroughs on many challenging benchmark tasks, lean to generate verbose responses and lack the controllability of output complexity, which is usually preferred by human users in practice. In this paper, we study how to precisely control multiple linguistic complexities of LLM output by finetuning using off-the-shelf data. To this end, we propose multi-control tuning (MCTune), which includes multiple linguistic complexity values of ground-truth responses as controls in the input for instruction tuning. We finetune LLaMA2-7B on Alpaca-GPT4 and WizardLM datasets. Evaluations on widely used benchmarks demonstrate that our method does not only improve LLMs' multi-complexity controllability substantially but also retains or even enhances the quality of the responses as a side benefit.

Jiuhai Chen, Rifaa Qadri, Yuxin Wen et al.

Most public instruction finetuning datasets are relatively small compared to the closed source datasets used to train industry models. To study questions about finetuning at scale, such as curricula and learning rate cooldown schedules, there is a need for industrial-scale datasets. However, this scale necessitates a data generation process that is almost entirely automated. In this work, we study methods for generating large instruction datasets from a single prompt. With little human oversight, we get LLMs to write diverse sets of instruction examples ranging from simple completion tasks to complex multi-turn dialogs across a variety of subject areas. When finetuning a Llama-3 8B base model, our dataset meets or exceeds both WizardLM and Ultrachat on both knowledge-intensive leaderboard tasks as well as conversational evaluations. We release our dataset, the "generator" prompts that created it, and our finetuned model checkpoints.

Lichang Chen, Jiuhai Chen, Chenxi Liu et al.

Reinforcement learning with human feedback~(RLHF) is critical for aligning Large Language Models (LLMs) with human preference. Compared to the widely studied offline version of RLHF, \emph{e.g.} direct preference optimization (DPO), recent works have shown that the online variants achieve even better alignment. However, online alignment requires on-the-fly generation of new training data, which is costly, hard to parallelize, and suffers from varying quality and utility. In this paper, we propose a more efficient data exploration strategy for online preference tuning (OPTune), which does not rely on human-curated or pre-collected teacher responses but dynamically samples informative responses for on-policy preference alignment. During data generation, OPTune only selects prompts whose (re)generated responses can potentially provide more informative and higher-quality training signals than the existing responses. In the training objective, OPTune reweights each generated response (pair) by its utility in improving the alignment so that learning can be focused on the most helpful samples. Throughout our evaluations, OPTune'd LLMs maintain the instruction-following benefits provided by standard preference tuning whilst enjoying 1.27-1.56x faster training speed due to the efficient data exploration strategy.

Jiuhai Chen, Jonas Mueller

Large Language Models have become the de facto approach to sequence-to-sequence text generation tasks, but for specialized tasks/domains, a pretrained LLM lacks specific capabilities to produce accurate or well-formatted responses. Supervised fine-tuning specializes a LLM by training it on dataset of example prompts with target responses, but real-world data tends to be noisy. While many fine-tuning algorithms exist, here we consider a \emph{data-centric AI} perspective on LLM fine-tuning, studying how to \emph{systematically} curate the training dataset to improve the LLM produced via \emph{any} fine-tuning algorithm. We introduce an automated data curation pipeline CLEAR (Confidence-based LLM Evaluation And Rectification) for instruction tuning datasets, that can be used with any LLM and fine-tuning procedure. CLEAR estimates which training data is low-quality and either filters or corrects it. Automatically identifying which data to filter or correct is done via LLM-derived confidence estimates, to ensure only confident modifications to the dataset. Unlike existing data curation techniques, CLEAR is a comprehensive framework that can improve a dataset (and trained model outputs) without additional fine-tuning computations. We don't assume access to a stronger LLM than the model being fine-tuned (e.g.\ relying on GPT-4 when fine-tuning GPT-3.5), to see whether CLEAR can meaningfully improve the capabilities of any LLM. Experiments reveal that CLEAR consistently improves the performance of fine-tuned models across many datasets and models (like GPT-3.5 and Llama2).

Jiuhai Chen, Chen Zhu, Bin Dai

Self-supervised learning (SSL) has achieved great success in a variety of computer vision tasks. However, the mechanism of how SSL works in these tasks remains a mystery. In this paper, we study how SSL can enhance the performance of the out-of-distribution (OOD) detection task. We first point out two general properties that a good OOD detector should have: 1) the overall feature space should be large and 2) the inlier feature space should be small. Then we demonstrate that SSL can indeed increase the intrinsic dimension of the overall feature space. In the meantime, SSL even has the potential to shrink the inlier feature space. As a result, there will be more space spared for the outliers, making OOD detection much easier. The conditions when SSL can shrink the inlier feature space is also discussed and validated. By understanding the role of SSL in the OOD detection task, our study can provide a guideline for designing better OOD detection algorithms. Moreover, this work can also shed light to other tasks where SSL can improve the performance.

Jiuhai Chen, Jonas Mueller, Vassilis N. Ioannidis et al.

For supervised learning with tabular data, decision tree ensembles produced via boosting techniques generally dominate real-world applications involving iid training/test sets. However for graph data where the iid assumption is violated due to structured relations between samples, it remains unclear how to best incorporate this structure within existing boosting pipelines. To this end, we propose a generalized framework for iterating boosting with graph propagation steps that share node/sample information across edges connecting related samples. Unlike previous efforts to integrate graph-based models with boosting, our approach is anchored in a principled meta loss function such that provable convergence can be guaranteed under relatively mild assumptions. Across a variety of non-iid graph datasets with tabular node features, our method achieves comparable or superior performance than both tabular and graph neural network models, as well as existing hybrid strategies that combine the two. Beyond producing better predictive performance than recently proposed graph models, our proposed techniques are easy to implement, computationally more efficient, and enjoy stronger theoretical guarantees (which make our results more reproducible).

Yangkun Wang, Jiarui Jin, Weinan Zhang et al.

Graph neural networks (GNNs) and label propagation represent two interrelated modeling strategies designed to exploit graph structure in tasks such as node property prediction. The former is typically based on stacked message-passing layers that share neighborhood information to transform node features into predictive embeddings. In contrast, the latter involves spreading label information to unlabeled nodes via a parameter-free diffusion process, but operates independently of the node features. Given then that the material difference is merely whether features or labels are smoothed across the graph, it is natural to consider combinations of the two for improving performance. In this regard, it has recently been proposed to use a randomly-selected portion of the training labels as GNN inputs, concatenated with the original node features for making predictions on the remaining labels. This so-called label trick accommodates the parallel use of features and labels, and is foundational to many of the top-ranking submissions on the Open Graph Benchmark (OGB) leaderboard. And yet despite its wide-spread adoption, thus far there has been little attempt to carefully unpack exactly what statistical properties the label trick introduces into the training pipeline, intended or otherwise. To this end, we prove that under certain simplifying assumptions, the stochastic label trick can be reduced to an interpretable, deterministic training objective composed of two factors. The first is a data-fitting term that naturally resolves potential label leakage issues, while the second serves as a regularization factor conditioned on graph structure that adapts to graph size and connectivity. Later, we leverage this perspective to motivate a broader range of label trick use cases, and provide experiments to verify the efficacy of these extensions.

Yiwei Wang, Jiuhai Chen, Chun Liu et al.

We introduce a new variational inference (VI) framework, called energetic variational inference (EVI). It minimizes the VI objective function based on a prescribed energy-dissipation law. Using the EVI framework, we can derive many existing Particle-based Variational Inference (ParVI) methods, including the popular Stein Variational Gradient Descent (SVGD) approach. More importantly, many new ParVI schemes can be created under this framework. For illustration, we propose a new particle-based EVI scheme, which performs the particle-based approximation of the density first and then uses the approximated density in the variational procedure, or "Approximation-then-Variation" for short. Thanks to this order of approximation and variation, the new scheme can maintain the variational structure at the particle level, and can significantly decrease the KL-divergence in each iteration. Numerical experiments show the proposed method outperforms some existing ParVI methods in terms of fidelity to the target distribution.