Uncertainty Decomposition and Quantification for In-Context Learning of Large Language Models

In-context learning has emerged as a groundbreaking ability of Large Language Models (LLMs) and revolutionized various fields by providing a few task-relevant demonstrations in the prompt. However, trustworthy issues with LLM's response, such as hallucination, have also been actively discussed. Existing works have been devoted to quantifying the uncertainty in LLM's response, but they often overlook the complex nature of LLMs and the uniqueness of in-context learning. In this work, we delve into the predictive uncertainty of LLMs associated with in-context learning, highlighting that such uncertainties may stem from both the provided demonstrations (aleatoric uncertainty) and ambiguities tied to the model's configurations (epistemic uncertainty). We propose a novel formulation and corresponding estimation method to quantify both types of uncertainties. The proposed method offers an unsupervised way to understand the prediction of in-context learning in a plug-and-play fashion. Extensive experiments are conducted to demonstrate the effectiveness of the decomposition. The code and data are available at: \url{https://github.com/lingchen0331/UQ_ICL}.

Chatbot Meets Pipeline: Augment Large Language Model with Definite Finite Automaton

This paper introduces the Definite Finite Automaton augmented large language model (DFA-LLM), a novel framework designed to enhance the capabilities of conversational agents using large language models (LLMs). Traditional LLMs face challenges in generating regulated and compliant responses in special scenarios with predetermined response guidelines, like emotional support and customer service. Our framework addresses these challenges by embedding a Definite Finite Automaton (DFA), learned from training dialogues, within the LLM. This structured approach enables the LLM to adhere to a deterministic response pathway, guided by the DFA. The advantages of DFA-LLM include an interpretable structure through human-readable DFA, context-aware retrieval for responses in conversations, and plug-and-play compatibility with existing LLMs. Extensive benchmarks validate DFA-LLM's effectiveness, indicating its potential as a valuable contribution to the conversational agent.

How to Overcome Curse-of-Dimensionality for Out-of-Distribution Detection?

Machine learning models deployed in the wild can be challenged by out-of-distribution (OOD) data from unknown classes. Recent advances in OOD detection rely on distance measures to distinguish samples that are relatively far away from the in-distribution (ID) data. Despite the promise, distance-based methods can suffer from the curse-of-dimensionality problem, which limits the efficacy in high-dimensional feature space. To combat this problem, we propose a novel framework, Subspace Nearest Neighbor (SNN), for OOD detection. In training, our method regularizes the model and its feature representation by leveraging the most relevant subset of dimensions (i.e. subspace). Subspace learning yields highly distinguishable distance measures between ID and OOD data. We provide comprehensive experiments and ablations to validate the efficacy of SNN. Compared to the current best distance-based method, SNN reduces the average FPR95 by 15.96% on the CIFAR-100 benchmark.

A Graph-Theoretic Framework for Understanding Open-World Semi-Supervised Learning

Open-world semi-supervised learning aims at inferring both known and novel classes in unlabeled data, by harnessing prior knowledge from a labeled set with known classes. Despite its importance, there is a lack of theoretical foundations for this problem. This paper bridges the gap by formalizing a graph-theoretic framework tailored for the open-world setting, where the clustering can be theoretically characterized by graph factorization. Our graph-theoretic framework illuminates practical algorithms and provides guarantees. In particular, based on our graph formulation, we apply the algorithm called Spectral Open-world Representation Learning (SORL), and show that minimizing our loss is equivalent to performing spectral decomposition on the graph. Such equivalence allows us to derive a provable error bound on the clustering performance for both known and novel classes, and analyze rigorously when labeled data helps. Empirically, SORL can match or outperform several strong baselines on common benchmark datasets, which is appealing for practical usage while enjoying theoretical guarantees.

Detecting and Learning Out-of-Distribution Data in the Open world: Algorithm and Theory

This thesis makes considerable contributions to the realm of machine learning, specifically in the context of open-world scenarios where systems face previously unseen data and contexts. Traditional machine learning models are usually trained and tested within a fixed and known set of classes, a condition known as the closed-world setting. While this assumption works in controlled environments, it falls short in real-world applications where new classes or categories of data can emerge dynamically and unexpectedly. To address this, our research investigates two intertwined steps essential for open-world machine learning: Out-of-distribution (OOD) Detection and Open-world Representation Learning (ORL). OOD detection focuses on identifying instances from unknown classes that fall outside the model's training distribution. This process reduces the risk of making overly confident, erroneous predictions about unfamiliar inputs. Moving beyond OOD detection, ORL extends the capabilities of the model to not only detect unknown instances but also learn from and incorporate knowledge about these new classes. By delving into these research problems of open-world learning, this thesis contributes both algorithmic solutions and theoretical foundations, which pave the way for building machine learning models that are not only performant but also reliable in the face of the evolving complexities of the real world.

Dream the Impossible: Outlier Imagination with Diffusion Models

Utilizing auxiliary outlier datasets to regularize the machine learning model has demonstrated promise for out-of-distribution (OOD) detection and safe prediction. Due to the labor intensity in data collection and cleaning, automating outlier data generation has been a long-desired alternative. Despite the appeal, generating photo-realistic outliers in the high dimensional pixel space has been an open challenge for the field. To tackle the problem, this paper proposes a new framework DREAM-OOD, which enables imagining photo-realistic outliers by way of diffusion models, provided with only the in-distribution (ID) data and classes. Specifically, DREAM-OOD learns a text-conditioned latent space based on ID data, and then samples outliers in the low-likelihood region via the latent, which can be decoded into images by the diffusion model. Different from prior works, DREAM-OOD enables visualizing and understanding the imagined outliers, directly in the pixel space. We conduct comprehensive quantitative and qualitative studies to understand the efficacy of DREAM-OOD, and show that training with the samples generated by DREAM-OOD can benefit OOD detection performance. Code is publicly available at https://github.com/deeplearning-wisc/dream-ood.

When and How Does Known Class Help Discover Unknown Ones? Provable Understanding Through Spectral Analysis

Novel Class Discovery (NCD) aims at inferring novel classes in an unlabeled set by leveraging prior knowledge from a labeled set with known classes. Despite its importance, there is a lack of theoretical foundations for NCD. This paper bridges the gap by providing an analytical framework to formalize and investigate when and how known classes can help discover novel classes. Tailored to the NCD problem, we introduce a graph-theoretic representation that can be learned by a novel NCD Spectral Contrastive Loss (NSCL). Minimizing this objective is equivalent to factorizing the graph's adjacency matrix, which allows us to derive a provable error bound and provide the sufficient and necessary condition for NCD. Empirically, NSCL can match or outperform several strong baselines on common benchmark datasets, which is appealing for practical usage while enjoying theoretical guarantees.

OpenOOD v1.5: Enhanced Benchmark for Out-of-Distribution Detection

Out-of-Distribution (OOD) detection is critical for the reliable operation of open-world intelligent systems. Despite the emergence of an increasing number of OOD detection methods, the evaluation inconsistencies present challenges for tracking the progress in this field. OpenOOD v1 initiated the unification of the OOD detection evaluation but faced limitations in scalability and usability. In response, this paper presents OpenOOD v1.5, a significant improvement from its predecessor that ensures accurate, standardized, and user-friendly evaluation of OOD detection methodologies. Notably, OpenOOD v1.5 extends its evaluation capabilities to large-scale datasets such as ImageNet, investigates full-spectrum OOD detection which is important yet underexplored, and introduces new features including an online leaderboard and an easy-to-use evaluator. This work also contributes in-depth analysis and insights derived from comprehensive experimental results, thereby enriching the knowledge pool of OOD detection methodologies. With these enhancements, OpenOOD v1.5 aims to drive advancements and offer a more robust and comprehensive evaluation benchmark for OOD detection research.

Rethinking Domain Generalization for Face Anti-spoofing: Separability and Alignment

This work studies the generalization issue of face anti-spoofing (FAS) models on domain gaps, such as image resolution, blurriness and sensor variations. Most prior works regard domain-specific signals as a negative impact, and apply metric learning or adversarial losses to remove them from feature representation. Though learning a domain-invariant feature space is viable for the training data, we show that the feature shift still exists in an unseen test domain, which backfires on the generalizability of the classifier. In this work, instead of constructing a domain-invariant feature space, we encourage domain separability while aligning the live-to-spoof transition (i.e., the trajectory from live to spoof) to be the same for all domains. We formulate this FAS strategy of separability and alignment (SA-FAS) as a problem of invariant risk minimization (IRM), and learn domain-variant feature representation but domain-invariant classifier. We demonstrate the effectiveness of SA-FAS on challenging cross-domain FAS datasets and establish state-of-the-art performance.