Vision transformers (ViTs) have emerged as a significant area of focus, particularly for their capacity to be jointly trained with large language models and to serve as robust vision foundation models. Yet, the development of trustworthy explanation methods for ViTs has lagged, particularly in the context of post-hoc interpretations of ViT predictions. Existing sub-image selection approaches, such as feature-attribution and conceptual models, fall short in this regard. This paper proposes five desiderata for explaining ViTs -- faithfulness, stability, sparsity, multi-level structure, and parsimony -- and demonstrates the inadequacy of current methods in meeting these criteria comprehensively. We introduce a variational Bayesian explanation framework, dubbed ProbAbilistic Concept Explainers (PACE), which models the distributions of patch embeddings to provide trustworthy post-hoc conceptual explanations. Our qualitative analysis reveals the distributions of patch-level concepts, elucidating the effectiveness of ViTs by modeling the joint distribution of patch embeddings and ViT's predictions. Moreover, these patch-level explanations bridge the gap between image-level and dataset-level explanations, thus completing the multi-level structure of PACE. Through extensive experiments on both synthetic and real-world datasets, we demonstrate that PACE surpasses state-of-the-art methods in terms of the defined desiderata.
The interpolative decomposition (ID) aims to construct a low-rank approximation formed by a basis consisting of row/column skeletons in the original matrix and a corresponding interpolation matrix. This work explores fast and accurate ID algorithms from comprehensive perspectives for empirical performance, including accuracy in both skeleton selection and interpolation matrix construction, efficiency in terms of asymptotic complexity and hardware efficiency, as well as rank adaptiveness. While many algorithms have been developed to optimize some of these aspects, practical ID algorithms proficient in all aspects remain absent. To fill in the gap, we introduce robust blockwise random pivoting (RBRP) that is asymptotically fast, hardware-efficient, and rank-adaptive, providing accurate skeletons and interpolation matrices comparable to the best existing ID algorithms in practice. Through extensive numerical experiments on various synthetic and natural datasets, we demonstrate the appealing empirical performance of RBRP from the aforementioned perspectives, as well as the robustness of RBRP to adversarial inputs.
The detection and classification of exfoliated two-dimensional (2D) material flakes from optical microscope images can be automated using computer vision algorithms. This has the potential to increase the accuracy and objectivity of classification and the efficiency of sample fabrication, and it allows for large-scale data collection. Existing algorithms often exhibit challenges in identifying low-contrast materials and typically require large amounts of training data. Here, we present a deep learning model, called MaskTerial, that uses an instance segmentation network to reliably identify 2D material flakes. The model is extensively pre-trained using a synthetic data generator, that generates realistic microscopy images from unlabeled data. This results in a model that can to quickly adapt to new materials with as little as 5 to 10 images. Furthermore, an uncertainty estimation model is used to finally classify the predictions based on optical contrast. We evaluate our method on eight different datasets comprising five different 2D materials and demonstrate significant improvements over existing techniques in the detection of low-contrast materials such as hexagonal boron nitride.
Robotic tasks such as planning and navigation require a hierarchical semantic understanding of a scene, which could include multiple floors and rooms. Current methods primarily focus on object segmentation for 3D scene understanding. However, such methods struggle to segment out topological regions like "kitchen" in the scene. In this work, we introduce a two-step pipeline to solve this problem. First, we extract a topological map, i.e., floorplan of the indoor scene using a novel multi-channel occupancy representation. Then, we generate CLIP-aligned features and semantic labels for every room instance based on the objects it contains using a self-attention transformer. Our language-topology alignment supports natural language querying, e.g., a "place to cook" locates the "kitchen". We outperform the current state-of-the-art on room segmentation by ~20% and room classification by ~12%. Our detailed qualitative analysis and ablation studies provide insights into the problem of joint structural and semantic 3D scene understanding. Project Page: quest-maps.github.io
Neural fields (NeFs) have recently emerged as a state-of-the-art method for encoding spatio-temporal signals of various modalities. Despite the success of NeFs in reconstructing individual signals, their use as representations in downstream tasks, such as classification or segmentation, is hindered by the complexity of the parameter space and its underlying symmetries, in addition to the lack of powerful and scalable conditioning mechanisms. In this work, we draw inspiration from the principles of connectionism to design a new architecture based on MLPs, which we term NeoMLP. We start from an MLP, viewed as a graph, and transform it from a multi-partite graph to a complete graph of input, hidden, and output nodes, equipped with high-dimensional features. We perform message passing on this graph and employ weight-sharing via self-attention among all the nodes. NeoMLP has a built-in mechanism for conditioning through the hidden and output nodes, which function as a set of latent codes, and as such, NeoMLP can be used straightforwardly as a conditional neural field. We demonstrate the effectiveness of our method by fitting high-resolution signals, including multi-modal audio-visual data. Furthermore, we fit datasets of neural representations, by learning instance-specific sets of latent codes using a single backbone architecture, and then use them for downstream tasks, outperforming recent state-of-the-art methods. The source code is open-sourced at //github.com/mkofinas/neomlp.
eXplainable Artificial Intelligence (XAI) has garnered significant attention for enhancing transparency and trust in machine learning models. However, the scopes of most existing explanation techniques focus either on offering a holistic view of the explainee model (global explanation) or on individual instances (local explanation), while the middle ground, i.e., cohort-based explanation, is less explored. Cohort explanations offer insights into the explainee's behavior on a specific group or cohort of instances, enabling a deeper understanding of model decisions within a defined context. In this paper, we discuss the unique challenges and opportunities associated with measuring cohort explanations, define their desired properties, and create a generalized framework for generating cohort explanations based on supervised clustering.
Language models have emerged as a critical area of focus in artificial intelligence, particularly with the introduction of groundbreaking innovations like ChatGPT. Large-scale Transformer networks have quickly become the leading approach for advancing natural language processing algorithms. Built on the Transformer architecture, these models enable interactions that closely mimic human communication and, equipped with extensive knowledge, can even assist in guiding human tasks. Despite their impressive capabilities and growing complexity, a key question remains-the theoretical foundations of large language models (LLMs). What makes Transformer so effective for powering intelligent language applications, such as translation and coding? What underlies LLMs' ability for In-Context Learning (ICL)? How does the LoRA scheme enhance the fine-tuning of LLMs? And what supports the practicality of pruning LLMs? To address these critical questions and explore the technological strategies within LLMs, we leverage the Universal Approximation Theory (UAT) to offer a theoretical backdrop, shedding light on the mechanisms that underpin these advancements.
Diffusion models (DMs) have shown great potential for high-quality image synthesis. However, when it comes to producing images with complex scenes, how to properly describe both image global structures and object details remains a challenging task. In this paper, we present Frido, a Feature Pyramid Diffusion model performing a multi-scale coarse-to-fine denoising process for image synthesis. Our model decomposes an input image into scale-dependent vector quantized features, followed by a coarse-to-fine gating for producing image output. During the above multi-scale representation learning stage, additional input conditions like text, scene graph, or image layout can be further exploited. Thus, Frido can be also applied for conditional or cross-modality image synthesis. We conduct extensive experiments over various unconditioned and conditional image generation tasks, ranging from text-to-image synthesis, layout-to-image, scene-graph-to-image, to label-to-image. More specifically, we achieved state-of-the-art FID scores on five benchmarks, namely layout-to-image on COCO and OpenImages, scene-graph-to-image on COCO and Visual Genome, and label-to-image on COCO. Code is available at //github.com/davidhalladay/Frido.
Multi-agent influence diagrams (MAIDs) are a popular form of graphical model that, for certain classes of games, have been shown to offer key complexity and explainability advantages over traditional extensive form game (EFG) representations. In this paper, we extend previous work on MAIDs by introducing the concept of a MAID subgame, as well as subgame perfect and trembling hand perfect equilibrium refinements. We then prove several equivalence results between MAIDs and EFGs. Finally, we describe an open source implementation for reasoning about MAIDs and computing their equilibria.
Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine-learning-based systems. A burgeoning body of research seeks to define the goals and methods of explainability in machine learning. In this paper, we seek to review and categorize research on counterfactual explanations, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently-proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.
Knowledge graphs are important resources for many artificial intelligence tasks but often suffer from incompleteness. In this work, we propose to use pre-trained language models for knowledge graph completion. We treat triples in knowledge graphs as textual sequences and propose a novel framework named Knowledge Graph Bidirectional Encoder Representations from Transformer (KG-BERT) to model these triples. Our method takes entity and relation descriptions of a triple as input and computes scoring function of the triple with the KG-BERT language model. Experimental results on multiple benchmark knowledge graphs show that our method can achieve state-of-the-art performance in triple classification, link prediction and relation prediction tasks.