Out-of-distribution (OOD) detection plays a vital role in enhancing the reliability of machine learning (ML) models. The emergence of large language models (LLMs) has catalyzed a paradigm shift within the ML community, showcasing their exceptional capabilities across diverse natural language processing tasks. While existing research has probed OOD detection with relative small-scale Transformers like BERT, RoBERTa and GPT-2, the stark differences in scales, pre-training objectives, and inference paradigms call into question the applicability of these findings to LLMs. This paper embarks on a pioneering empirical investigation of OOD detection in the domain of LLMs, focusing on LLaMA series ranging from 7B to 65B in size. We thoroughly evaluate commonly-used OOD detectors, scrutinizing their performance in both zero-grad and fine-tuning scenarios. Notably, we alter previous discriminative in-distribution fine-tuning into generative fine-tuning, aligning the pre-training objective of LLMs with downstream tasks. Our findings unveil that a simple cosine distance OOD detector demonstrates superior efficacy, outperforming other OOD detectors. We provide an intriguing explanation for this phenomenon by highlighting the isotropic nature of the embedding spaces of LLMs, which distinctly contrasts with the anisotropic property observed in smaller BERT family models. The new insight enhances our understanding of how LLMs detect OOD data, thereby enhancing their adaptability and reliability in dynamic environments. We have released the source code at \url{//github.com/Awenbocc/LLM-OOD} for other researchers to reproduce our results.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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Task planning is emerging as an important research topic alongside the development of large language models (LLMs). It aims to break down complex user requests into solvable sub-tasks, thereby fulfilling the original requests. In this context, the sub-tasks can be naturally viewed as a graph, where the nodes represent the sub-tasks, and the edges denote the dependencies among them. Consequently, task planning is a decision-making problem that involves selecting a connected path or subgraph within the corresponding graph and invoking it. In this paper, we explore graph learning-based methods for task planning, a direction that is orthogonal to the prevalent focus on prompt design. Our interest in graph learning stems from a theoretical discovery: the biases of attention and auto-regressive loss impede LLMs' ability to effectively navigate decision-making on graphs, which is adeptly addressed by graph neural networks (GNNs). This theoretical insight led us to integrate GNNs with LLMs to enhance overall performance. Extensive experiments demonstrate that GNN-based methods surpass existing solutions even without training, and minimal training can further enhance their performance. Additionally, our approach complements prompt engineering and fine-tuning techniques, with performance further enhanced by improved prompts or a fine-tuned model.
This paper delves into the capabilities of large language models (LLMs), specifically focusing on advancing the theoretical comprehension of chain-of-thought prompting. We investigate how LLMs can be effectively induced to generate a coherent chain of thoughts. To achieve this, we introduce a two-level hierarchical graphical model tailored for natural language generation. Within this framework, we establish a compelling geometrical convergence rate that gauges the likelihood of an LLM-generated chain of thoughts compared to those originating from the true language. Our findings provide a theoretical justification for the ability of LLMs to produce the correct sequence of thoughts (potentially) explaining performance gains in tasks demanding reasoning skills.
The ultimate goal of generative models is to characterize the data distribution perfectly. For image generation, common metrics of visual quality (e.g., FID), and the truthlikeness of generated images to the human eyes seem to suggest that we are close to achieving it. However, through distribution classification tasks, we find that, in the eyes of classifiers parameterized by neural networks, the strongest diffusion models are still far from this goal. Specifically, classifiers consistently and effortlessly distinguish between real and generated images in various settings. Further, we observe an intriguing discrepancy: classifiers can identify differences between diffusion models with similar performance (e.g., U-ViT-H vs. DiT-XL), but struggle to differentiate between the smallest and largest models in the same family (e.g., EDM2-XS vs. EDM2-XXL), whereas humans exhibit the opposite tendency. As an explanation, our comprehensive empirical study suggests that, unlike humans, classifiers tend to classify images through edge and high-frequency components. We believe that our methodology can serve as a probe to understand how generative models work and inspire further thought on how existing models can be improved and how the abuse of such models can be prevented.
There is a prevalent opinion in the recent literature that Diffusion-based models outperform GAN-based counterparts on the Image Super Resolution (ISR) problem. However, in most studies, Diffusion-based ISR models were trained longer and utilized larger networks than the GAN baselines. This raises the question of whether the superiority of Diffusion models is due to the Diffusion paradigm being better suited for the ISR task or if it is a consequence of the increased scale and computational resources used in contemporary studies. In our work, we compare Diffusion-based and GAN-based Super Resolution under controlled settings, where both approaches are matched in terms of architecture, model and dataset size, and computational budget. We show that a GAN-based model can achieve results comparable to a Diffusion-based model. Additionally, we explore the impact of design choices such as text conditioning and augmentation on the performance of ISR models, showcasing their effect on several downstream tasks. We will release the inference code and weights of our scaled GAN.
The rapid advancement in self-supervised learning (SSL) has highlighted its potential to leverage unlabeled data for learning rich visual representations. However, the existing SSL techniques, particularly those employing different augmentations of the same image, often rely on a limited set of simple transformations that are not representative of real-world data variations. This constrains the diversity and quality of samples, which leads to sub-optimal representations. In this paper, we introduce a novel framework that enriches the SSL paradigm by utilizing generative models to produce semantically consistent image augmentations. By directly conditioning generative models on a source image representation, our method enables the generation of diverse augmentations while maintaining the semantics of the source image, thus offering a richer set of data for self-supervised learning. Our extensive experimental results on various SSL methods demonstrate that our framework significantly enhances the quality of learned visual representations by up to 10\% Top-1 accuracy in downstream tasks. This research demonstrates that incorporating generative models into the SSL workflow opens new avenues for exploring the potential of synthetic data. This development paves the way for more robust and versatile representation learning techniques.
Recently, interpretable machine learning has re-explored concept bottleneck models (CBM). An advantage of this model class is the user's ability to intervene on predicted concept values, affecting the downstream output. In this work, we introduce a method to perform such concept-based interventions on pretrained neural networks, which are not interpretable by design, only given a small validation set with concept labels. Furthermore, we formalise the notion of intervenability as a measure of the effectiveness of concept-based interventions and leverage this definition to fine-tune black boxes. Empirically, we explore the intervenability of black-box classifiers on synthetic tabular and natural image benchmarks. We focus on backbone architectures of varying complexity, from simple, fully connected neural nets to Stable Diffusion. We demonstrate that the proposed fine-tuning improves intervention effectiveness and often yields better-calibrated predictions. To showcase the practical utility of our techniques, we apply them to deep chest X-ray classifiers and show that fine-tuned black boxes are more intervenable than CBMs. Lastly, we establish that our methods are still effective under vision-language-model-based concept annotations, alleviating the need for a human-annotated validation set.
Feature attribution methods are popular in interpretable machine learning. These methods compute the attribution of each input feature to represent its importance, but there is no consensus on the definition of "attribution", leading to many competing methods with little systematic evaluation, complicated in particular by the lack of ground truth attribution. To address this, we propose a dataset modification procedure to induce such ground truth. Using this procedure, we evaluate three common methods: saliency maps, rationales, and attentions. We identify several deficiencies and add new perspectives to the growing body of evidence questioning the correctness and reliability of these methods applied on datasets in the wild. We further discuss possible avenues for remedy and recommend new attribution methods to be tested against ground truth before deployment. The code is available at \url{//github.com/YilunZhou/feature-attribution-evaluation}.
Non-convex optimization is ubiquitous in modern machine learning. Researchers devise non-convex objective functions and optimize them using off-the-shelf optimizers such as stochastic gradient descent and its variants, which leverage the local geometry and update iteratively. Even though solving non-convex functions is NP-hard in the worst case, the optimization quality in practice is often not an issue -- optimizers are largely believed to find approximate global minima. Researchers hypothesize a unified explanation for this intriguing phenomenon: most of the local minima of the practically-used objectives are approximately global minima. We rigorously formalize it for concrete instances of machine learning problems.
Language model pre-training has proven to be useful in learning universal language representations. As a state-of-the-art language model pre-training model, BERT (Bidirectional Encoder Representations from Transformers) has achieved amazing results in many language understanding tasks. In this paper, we conduct exhaustive experiments to investigate different fine-tuning methods of BERT on text classification task and provide a general solution for BERT fine-tuning. Finally, the proposed solution obtains new state-of-the-art results on eight widely-studied text classification datasets.
Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.
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