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In causal inference, estimating Heterogeneous Treatment Effects (HTEs) from observational data is critical for understanding how different subgroups respond to treatments, with broad applications such as precision medicine and targeted advertising. However, existing work on HTE, subgroup discovery, and causal visualization is insufficient to address two challenges: first, the sheer number of potential subgroups and the necessity to balance multiple objectives (e.g., high effects and low variances) pose a considerable analytical challenge. Second, effective subgroup analysis has to follow the analysis goal specified by users and provide causal results with verification. To this end, we propose a visual analytics approach for subgroup-based causal heterogeneity exploration. Specifically, we first formulate causal subgroup discovery as a constrained multi-objective optimization problem and adopt a heuristic genetic algorithm to learn the Pareto front of optimal subgroups described by interpretable rules. Combining with this model, we develop a prototype system, CausalPrism, that incorporates tabular visualization, multi-attribute rankings, and uncertainty plots to support users in interactively exploring and sorting subgroups and explaining treatment effects. Quantitative experiments validate that the proposed model can efficiently mine causal subgroups that outperform state-of-the-art HTE and subgroup discovery methods, and case studies and expert interviews demonstrate the effectiveness and usability of the system. Code is available at //osf.io/jaqmf/?view_only=ac9575209945476b955bf829c85196e9.

In domains with interdependent data, such as graphs, quantifying the epistemic uncertainty of a Graph Neural Network (GNN) is challenging as uncertainty can arise at different structural scales. Existing techniques neglect this issue or only distinguish between structure-aware and structure-agnostic uncertainty without combining them into a single measure. We propose GEBM, an energy-based model (EBM) that provides high-quality uncertainty estimates by aggregating energy at different structural levels that naturally arise from graph diffusion. In contrast to logit-based EBMs, we provably induce an integrable density in the data space by regularizing the energy function. We introduce an evidential interpretation of our EBM that significantly improves the predictive robustness of the GNN. Our framework is a simple and effective post hoc method applicable to any pre-trained GNN that is sensitive to various distribution shifts. It consistently achieves the best separation of in-distribution and out-of-distribution data on 6 out of 7 anomaly types while having the best average rank over shifts on \emph{all} datasets.

Meta-analysis allows rigorous aggregation of estimates and uncertainty across multiple studies. When a given study reports multiple estimates, such as log odds ratios (ORs) or log relative risks (RRs) across exposure groups, accounting for within-study correlations improves accuracy and efficiency of meta-analytic results. Canonical approaches of Greenland-Longnecker and Hamling estimate pseudo cases and non-cases for exposure groups to obtain within-study correlations. However, currently available implementations for both methods fail on simple examples. We review both GL and Hamling methods through the lens of optimization. For ORs, we provide modifications of each approach that ensure convergence for any feasible inputs. For GL, this is achieved through a new connection to entropic minimization. For Hamling, a modification leads to a provably solvable equivalent set of equations given a specific initialization. For each, we provide implementations a guaranteed to work for any feasible input. For RRs, we show the new GL approach is always guaranteed to succeed, but any Hamling approach may fail: we give counter-examples where no solutions exist. We derive a sufficient condition on reported RRs that guarantees success when reported variances are all equal.

There is a growing body of work seeking to replicate the success of machine learning (ML) on domains like computer vision (CV) and natural language processing (NLP) to applications involving biophysical data. One of the key ingredients of prior successes in CV and NLP was the broad acceptance of difficult benchmarks that distilled key subproblems into approachable tasks that any junior researcher could investigate, but good benchmarks for biophysical domains are rare. This scarcity is partially due to a narrow focus on benchmarks which simulate biophysical data; we propose instead to carefully abstract biophysical problems into simpler ones with key geometric similarities. In particular we propose a new class of closed-form test functions for biophysical sequence optimization, which we call Ehrlich functions. We provide empirical results demonstrating these functions are interesting objects of study and can be non-trivial to solve with a standard genetic optimization baseline.

In recent years, domain-specific accelerators (DSAs) have gained popularity for applications such as deep learning and autonomous driving. To facilitate DSA designs, programmers use high-level synthesis (HLS) to compile a high-level description written in C/C++ into a design with low-level hardware description languages that eventually synthesize DSAs on circuits. However, creating a high-quality HLS design still demands significant domain knowledge, particularly in microarchitecture decisions expressed as \textit{pragmas}. Thus, it is desirable to automate such decisions with the help of machine learning for predicting the quality of HLS designs, requiring a deeper understanding of the program that consists of original code and pragmas. Naturally, these programs can be considered as sequence data. In addition, these programs can be compiled and converted into a control data flow graph (CDFG). But existing works either fail to leverage both modalities or combine the two in shallow or coarse ways. We propose ProgSG, a model that allows interaction between the source code sequence modality and the graph modality in a deep and fine-grained way. To alleviate the scarcity of labeled designs, a pre-training method is proposed based on a suite of compiler's data flow analysis tasks. Experimental results show that ProgSG reduces the RMSE of design performance predictions by up to $22\%$, and identifies designs with an average of $1.10\times$ and $1.26\times$ (up to $8.17\times$ and $13.31\times$) performance improvement in design space exploration (DSE) task compared to HARP and AutoDSE, respectively.

Knowledge Distillation (KD) is a widely-used technology to inherit information from cumbersome teacher models to compact student models, consequently realizing model compression and acceleration. Compared with image classification, object detection is a more complex task, and designing specific KD methods for object detection is non-trivial. In this work, we elaborately study the behaviour difference between the teacher and student detection models, and obtain two intriguing observations: First, the teacher and student rank their detected candidate boxes quite differently, which results in their precision discrepancy. Second, there is a considerable gap between the feature response differences and prediction differences between teacher and student, indicating that equally imitating all the feature maps of the teacher is the sub-optimal choice for improving the student's accuracy. Based on the two observations, we propose Rank Mimicking (RM) and Prediction-guided Feature Imitation (PFI) for distilling one-stage detectors, respectively. RM takes the rank of candidate boxes from teachers as a new form of knowledge to distill, which consistently outperforms the traditional soft label distillation. PFI attempts to correlate feature differences with prediction differences, making feature imitation directly help to improve the student's accuracy. On MS COCO and PASCAL VOC benchmarks, extensive experiments are conducted on various detectors with different backbones to validate the effectiveness of our method. Specifically, RetinaNet with ResNet50 achieves 40.4% mAP in MS COCO, which is 3.5% higher than its baseline, and also outperforms previous KD methods.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.

The recent proliferation of knowledge graphs (KGs) coupled with incomplete or partial information, in the form of missing relations (links) between entities, has fueled a lot of research on knowledge base completion (also known as relation prediction). Several recent works suggest that convolutional neural network (CNN) based models generate richer and more expressive feature embeddings and hence also perform well on relation prediction. However, we observe that these KG embeddings treat triples independently and thus fail to cover the complex and hidden information that is inherently implicit in the local neighborhood surrounding a triple. To this effect, our paper proposes a novel attention based feature embedding that captures both entity and relation features in any given entity's neighborhood. Additionally, we also encapsulate relation clusters and multihop relations in our model. Our empirical study offers insights into the efficacy of our attention based model and we show marked performance gains in comparison to state of the art methods on all datasets.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.