Widely-used LiDAR-based 3D object detectors often neglect fundamental geometric information readily available from the object proposals in their confidence estimation. This is mostly due to architectural design choices, which were often adopted from the 2D image domain, where geometric context is rarely available. In 3D, however, considering the object properties and its surroundings in a holistic way is important to distinguish between true and false positive detections, e.g. occluded pedestrians in a group. To address this, we present GACE, an intuitive and highly efficient method to improve the confidence estimation of a given black-box 3D object detector. We aggregate geometric cues of detections and their spatial relationships, which enables us to properly assess their plausibility and consequently, improve the confidence estimation. This leads to consistent performance gains over a variety of state-of-the-art detectors. Across all evaluated detectors, GACE proves to be especially beneficial for the vulnerable road user classes, i.e. pedestrians and cyclists.

Neural networks are susceptible to privacy attacks. To date, no verifier can reason about the privacy of individuals participating in the training set. We propose a new privacy property, called local differential classification privacy (LDCP), extending local robustness to a differential privacy setting suitable for black-box classifiers. Given a neighborhood of inputs, a classifier is LDCP if it classifies all inputs the same regardless of whether it is trained with the full dataset or whether any single entry is omitted. A naive algorithm is highly impractical because it involves training a very large number of networks and verifying local robustness of the given neighborhood separately for every network. We propose Sphynx, an algorithm that computes an abstraction of all networks, with a high probability, from a small set of networks, and verifies LDCP directly on the abstract network. The challenge is twofold: network parameters do not adhere to a known distribution probability, making it difficult to predict an abstraction, and predicting too large abstraction harms the verification. Our key idea is to transform the parameters into a distribution given by KDE, allowing to keep the over-approximation error small. To verify LDCP, we extend a MILP verifier to analyze an abstract network. Experimental results show that by training only 7% of the networks, Sphynx predicts an abstract network obtaining 93% verification accuracy and reducing the analysis time by $1.7\cdot10^4$x.

Efforts in levering Artificial Intelligence (AI) in decision support systems have disproportionately focused on technological advancements, often overlooking the alignment between algorithmic outputs and human expectations. To address this, explainable AI promotes AI development from a more human-centered perspective. Determining what information AI should provide to aid humans is vital, however, how the information is presented, e. g., the sequence of recommendations and the solicitation of interpretations, is equally crucial. This motivates the need to more precisely study Human-AI interaction as a pivotal component of AI-based decision support. While several empirical studies have evaluated Human-AI interactions in multiple application domains in which interactions can take many forms, there is not yet a common vocabulary to describe human-AI interaction protocols. To address this gap, we describe the results of a systematic review of the AI-assisted decision making literature, analyzing 105 selected articles, which grounds the introduction of a taxonomy of interaction patterns that delineate various modes of human-AI interactivity. We find that current interactions are dominated by simplistic collaboration paradigms and report comparatively little support for truly interactive functionality. Our taxonomy serves as a valuable tool to understand how interactivity with AI is currently supported in decision-making contexts and foster deliberate choices of interaction designs.

Human commonsense understanding of the physical and social world is organized around intuitive theories. These theories support making causal and moral judgments. When something bad happens, we naturally ask: who did what, and why? A rich literature in cognitive science has studied people's causal and moral intuitions. This work has revealed a number of factors that systematically influence people's judgments, such as the violation of norms and whether the harm is avoidable or inevitable. We collected a dataset of stories from 24 cognitive science papers and developed a system to annotate each story with the factors they investigated. Using this dataset, we test whether large language models (LLMs) make causal and moral judgments about text-based scenarios that align with those of human participants. On the aggregate level, alignment has improved with more recent LLMs. However, using statistical analyses, we find that LLMs weigh the different factors quite differently from human participants. These results show how curated, challenge datasets combined with insights from cognitive science can help us go beyond comparisons based merely on aggregate metrics: we uncover LLMs implicit tendencies and show to what extent these align with human intuitions.

Researchers have long tried to minimize training costs in deep learning while maintaining strong generalization across diverse datasets. Emerging research on dataset distillation aims to reduce training costs by creating a small synthetic set that contains the information of a larger real dataset and ultimately achieves test accuracy equivalent to a model trained on the whole dataset. Unfortunately, the synthetic data generated by previous methods are not guaranteed to distribute and discriminate as well as the original training data, and they incur significant computational costs. Despite promising results, there still exists a significant performance gap between models trained on condensed synthetic sets and those trained on the whole dataset. In this paper, we address these challenges using efficient Dataset Distillation with Attention Matching (DataDAM), achieving state-of-the-art performance while reducing training costs. Specifically, we learn synthetic images by matching the spatial attention maps of real and synthetic data generated by different layers within a family of randomly initialized neural networks. Our method outperforms the prior methods on several datasets, including CIFAR10/100, TinyImageNet, ImageNet-1K, and subsets of ImageNet-1K across most of the settings, and achieves improvements of up to 6.5% and 4.1% on CIFAR100 and ImageNet-1K, respectively. We also show that our high-quality distilled images have practical benefits for downstream applications, such as continual learning and neural architecture search.

Reconstructing unstable heavy particles requires sophisticated techniques to sift through the large number of possible permutations for assignment of detector objects to the underlying partons. An approach based on a generalized attention mechanism, symmetry preserving attention networks (Spa-Net), has been previously applied to top quark pair decays at the Large Hadron Collider which produce only hadronic jets. Here we extend the Spa-Net architecture to consider multiple input object types, such as leptons, as well as global event features, such as the missing transverse momentum. In addition, we provide regression and classification outputs to supplement the parton assignment. We explore the performance of the extended capability of Spa-Net in the context of semi-leptonic decays of top quark pairs as well as top quark pairs produced in association with a Higgs boson. We find significant improvements in the power of three representative studies: a search for ttH, a measurement of the top quark mass, and a search for a heavy Z' decaying to top quark pairs. We present ablation studies to provide insight on what the network has learned in each case.

Large language models (LLMs) have emerged as a widely-used tool for information seeking, but their generated outputs are prone to hallucination. In this work, our aim is to allow LLMs to generate text with citations, improving their factual correctness and verifiability. Existing work mainly relies on commercial search engines and human evaluation, making it challenging to reproduce and compare different modeling approaches. We propose ALCE, the first benchmark for Automatic LLMs' Citation Evaluation. ALCE collects a diverse set of questions and retrieval corpora and requires building end-to-end systems to retrieve supporting evidence and generate answers with citations. We develop automatic metrics along three dimensions -- fluency, correctness, and citation quality -- and demonstrate their strong correlation with human judgements. Our experiments with state-of-the-art LLMs and novel prompting strategies show that current systems have considerable room for improvement -- For example, on the ELI5 dataset, even the best models lack complete citation support 50% of the time. Our analyses further highlight promising future directions, including developing better retrievers, advancing long-context LLMs, and improving the ability to synthesize information from multiple sources.

Structural fingerprints and pharmacophore modeling are methodologies that have been used for at least two decades in various fields of cheminformatics: from similarity searching to machine learning (ML). Advances in silico techniques consequently led to combining both these methodologies into a new approach known as pharmacophore fingerprint. Herein, we propose a high-resolution, pharmacophore fingerprint called Pharmacoprint that encodes the presence, types, and relationships between pharmacophore features of a molecule. Pharmacoprint was evaluated in classification experiments by using ML algorithms (logistic regression, support vector machines, linear support vector machines, and neural networks) and outperformed other popular molecular fingerprints (i.e., Estate, MACCS, PubChem, Substructure, Klekotha-Roth, CDK, Extended, and GraphOnly) and ChemAxon Pharmacophoric Features fingerprint. Pharmacoprint consisted of 39973 bits; several methods were applied for dimensionality reduction, and the best algorithm not only reduced the length of bit string but also improved the efficiency of ML tests. Further optimization allowed us to define the best parameter settings for using Pharmacoprint in discrimination tests and for maximizing statistical parameters. Finally, Pharmacoprint generated for 3D structures with defined hydrogens as input data was applied to neural networks with a supervised autoencoder for selecting the most important bits and allowed to maximize Matthews Correlation Coefficient up to 0.962. The results show the potential of Pharmacoprint as a new, perspective tool for computer-aided drug design.

The bulk of the research effort on brain connectivity revolves around statistical associations among brain regions, which do not directly relate to the causal mechanisms governing brain dynamics. Here we propose the multiscale causal backbone (MCB) of brain dynamics shared by a set of individuals across multiple temporal scales, and devise a principled methodology to extract it. Our approach leverages recent advances in multiscale causal structure learning and optimizes the trade-off between the model fitting and its complexity. Empirical assessment on synthetic data shows the superiority of our methodology over a baseline based on canonical functional connectivity networks. When applied to resting-state fMRI data, we find sparse MCBs for both the left and right brain hemispheres. Thanks to its multiscale nature, our approach shows that at low-frequency bands, causal dynamics are driven by brain regions associated with high-level cognitive functions; at higher frequencies instead, nodes related to sensory processing play a crucial role. Finally, our analysis of individual multiscale causal structures confirms the existence of a causal fingerprint of brain connectivity, thus supporting from a causal perspective the existing extensive research in brain connectivity fingerprinting.

Researchers in explainable artificial intelligence have developed numerous methods for helping users understand the predictions of complex supervised learning models. By contrast, explaining the $\textit{uncertainty}$ of model outputs has received relatively little attention. We adapt the popular Shapley value framework to explain various types of predictive uncertainty, quantifying each feature's contribution to the conditional entropy of individual model outputs. We consider games with modified characteristic functions and find deep connections between the resulting Shapley values and fundamental quantities from information theory and conditional independence testing. We outline inference procedures for finite sample error rate control with provable guarantees, and implement efficient algorithms that perform well in a range of experiments on real and simulated data. Our method has applications to covariate shift detection, active learning, feature selection, and active feature-value acquisition.