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Counterfactual Explanations (CE) is the de facto method for providing insight and interpretability in black-box decision-making models by identifying alternative input instances that lead to different outcomes. This paper extends the concept of CEs to a distributional context, broadening the scope from individual data points to entire input and output distributions, named Distributional Counterfactual Explanation (DCE). In DCE, our focus shifts to analyzing the distributional properties of the factual and counterfactual, drawing parallels to the classical approach of assessing individual instances and their resulting decisions. We leverage Optimal Transport (OT) to frame a chance-constrained optimization problem, aiming to derive a counterfactual distribution that closely aligns with its factual counterpart, substantiated by statistical confidence. Our proposed optimization method, DISCOUNT, strategically balances this confidence across both input and output distributions. This algorithm is accompanied by an analysis of its convergence rate. The efficacy of our proposed method is substantiated through a series of illustrative case studies, highlighting its potential in providing deep insights into decision-making models.

We propose Diffusion Inference-Time T-Optimization (DITTO), a general-purpose frame-work for controlling pre-trained text-to-music diffusion models at inference-time via optimizing initial noise latents. Our method can be used to optimize through any differentiable feature matching loss to achieve a target (stylized) output and leverages gradient checkpointing for memory efficiency. We demonstrate a surprisingly wide-range of applications for music generation including inpainting, outpainting, and looping as well as intensity, melody, and musical structure control - all without ever fine-tuning the underlying model. When we compare our approach against related training, guidance, and optimization-based methods, we find DITTO achieves state-of-the-art performance on nearly all tasks, including outperforming comparable approaches on controllability, audio quality, and computational efficiency, thus opening the door for high-quality, flexible, training-free control of diffusion models. Sound examples can be found at //DITTO-Music.github.io/web/.

Foundation models (FMs) are able to leverage large volumes of unlabeled data to demonstrate superior performance across a wide range of tasks. However, FMs developed for biomedical domains have largely remained unimodal, i.e., independently trained and used for tasks on protein sequences alone, small molecule structures alone, or clinical data alone. To overcome this limitation of biomedical FMs, we present BioBridge, a novel parameter-efficient learning framework, to bridge independently trained unimodal FMs to establish multimodal behavior. BioBridge achieves it by utilizing Knowledge Graphs (KG) to learn transformations between one unimodal FM and another without fine-tuning any underlying unimodal FMs. Our empirical results demonstrate that BioBridge can beat the best baseline KG embedding methods (on average by around 76.3%) in cross-modal retrieval tasks. We also identify BioBridge demonstrates out-of-domain generalization ability by extrapolating to unseen modalities or relations. Additionally, we also show that BioBridge presents itself as a general purpose retriever that can aid biomedical multimodal question answering as well as enhance the guided generation of novel drugs.

Data plays a fundamental role in the training of Large Language Models (LLMs). Effective data management, particularly in the formulation of a well-suited training dataset, holds significance for enhancing model performance and improving training efficiency during pretraining and supervised fine-tuning phases. Despite the considerable importance of data management, the current research community still falls short in providing a systematic analysis of the rationale behind management strategy selection, its consequential effects, methodologies for evaluating curated datasets, and the ongoing pursuit of improved strategies. Consequently, the exploration of data management has attracted more and more attention among the research community. This survey provides a comprehensive overview of current research in data management within both the pretraining and supervised fine-tuning stages of LLMs, covering various noteworthy aspects of data management strategy design: data quantity, data quality, domain/task composition, etc. Looking toward the future, we extrapolate existing challenges and outline promising directions for development in this field. Therefore, this survey serves as a guiding resource for practitioners aspiring to construct powerful LLMs through effective data management practices. The collection of the latest papers is available at //github.com/ZigeW/data_management_LLM.

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.

Collecting supporting evidence from large corpora of text (e.g., Wikipedia) is of great challenge for open-domain Question Answering (QA). Especially, for multi-hop open-domain QA, scattered evidence pieces are required to be gathered together to support the answer extraction. In this paper, we propose a new retrieval target, hop, to collect the hidden reasoning evidence from Wikipedia for complex question answering. Specifically, the hop in this paper is defined as the combination of a hyperlink and the corresponding outbound link document. The hyperlink is encoded as the mention embedding which models the structured knowledge of how the outbound link entity is mentioned in the textual context, and the corresponding outbound link document is encoded as the document embedding representing the unstructured knowledge within it. Accordingly, we build HopRetriever which retrieves hops over Wikipedia to answer complex questions. Experiments on the HotpotQA dataset demonstrate that HopRetriever outperforms previously published evidence retrieval methods by large margins. Moreover, our approach also yields quantifiable interpretations of the evidence collection process.

We present CoDEx, a set of knowledge graph completion datasets extracted from Wikidata and Wikipedia that improve upon existing knowledge graph completion benchmarks in scope and level of difficulty. In terms of scope, CoDEx comprises three knowledge graphs varying in size and structure, multilingual descriptions of entities and relations, and tens of thousands of hard negative triples that are plausible but verified to be false. To characterize CoDEx, we contribute thorough empirical analyses and benchmarking experiments. First, we analyze each CoDEx dataset in terms of logical relation patterns. Next, we report baseline link prediction and triple classification results on CoDEx for five extensively tuned embedding models. Finally, we differentiate CoDEx from the popular FB15K-237 knowledge graph completion dataset by showing that CoDEx covers more diverse and interpretable content, and is a more difficult link prediction benchmark. Data, code, and pretrained models are available at //bit.ly/2EPbrJs.

Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classification task: (1)when only the largest sub-graph structure ($k$-hop neighbor) is used for neighborhood aggregation, a large amount of early-stage information is lost during the graph convolution step; (2) simple average/sum pooling or max pooling utilized, which loses the characteristics of each node and the topology between nodes. In this paper, we propose a novel framework called, dual attention graph convolutional networks (DAGCN) to address these problems. DAGCN automatically learns the importance of neighbors at different hops using a novel attention graph convolution layer, and then employs a second attention component, a self-attention pooling layer, to generalize the graph representation from the various aspects of a matrix graph embedding. The dual attention network is trained in an end-to-end manner for the graph classification task. We compare our model with state-of-the-art graph kernels and other deep learning methods. The experimental results show that our framework not only outperforms other baselines but also achieves a better rate of convergence.

We present MMKG, a collection of three knowledge graphs that contain both numerical features and (links to) images for all entities as well as entity alignments between pairs of KGs. Therefore, multi-relational link prediction and entity matching communities can benefit from this resource. We believe this data set has the potential to facilitate the development of novel multi-modal learning approaches for knowledge graphs.We validate the utility ofMMKG in the sameAs link prediction task with an extensive set of experiments. These experiments show that the task at hand benefits from learning of multiple feature types.

We present Generative Adversarial Capsule Network (CapsuleGAN), a framework that uses capsule networks (CapsNets) instead of the standard convolutional neural networks (CNNs) as discriminators within the generative adversarial network (GAN) setting, while modeling image data. We provide guidelines for designing CapsNet discriminators and the updated GAN objective function, which incorporates the CapsNet margin loss, for training CapsuleGAN models. We show that CapsuleGAN outperforms convolutional-GAN at modeling image data distribution on the MNIST dataset of handwritten digits, evaluated on the generative adversarial metric and at semi-supervised image classification.