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Additive noise models (ANMs) are an important setting studied in causal inference. Most of the existing works on ANMs assume causal sufficiency, i.e., there are no unobserved confounders. This paper focuses on confounded ANMs, where a set of treatment variables and a target variable are affected by an unobserved confounder that follows a multivariate Gaussian distribution. We introduce a novel approach for estimating the average causal effects (ACEs) of any subset of the treatment variables on the outcome and demonstrate that a small set of interventional distributions is sufficient to estimate all of them. In addition, we propose a randomized algorithm that further reduces the number of required interventions to poly-logarithmic in the number of nodes. Finally, we demonstrate that these interventions are also sufficient to recover the causal structure between the observed variables. This establishes that a poly-logarithmic number of interventions is sufficient to infer the causal effects of any subset of treatments on the outcome in confounded ANMs with high probability, even when the causal structure between treatments is unknown. The simulation results indicate that our method can accurately estimate all ACEs in the finite-sample regime. We also demonstrate the practical significance of our algorithm by evaluating it on semi-synthetic data.

To assess the quality of a probabilistic prediction for stochastic dynamical systems (SDSs), scoring rules assign a numerical score based on the predictive distribution and the measured state. In this paper, we propose an $\epsilon$-logarithm score that generalizes the celebrated logarithm score by considering a neighborhood with radius $\epsilon$. We characterize the probabilistic predictability of an SDS by optimizing the expected score over the space of probability measures. We show how the probabilistic predictability is quantitatively determined by the neighborhood radius, the differential entropies of process noises, and the system dimension. Given any predictor, we provide approximations for the expected score with an error of scale $\mathcal{O}(\epsilon)$. In addition to the expected score, we also analyze the asymptotic behaviors of the score on individual trajectories. Specifically, we prove that the score on a trajectory can converge to the expected score when the process noises are independent and identically distributed. Moreover, the convergence speed against the trajectory length $T$ is of scale $\mathcal{O}(T^{-\frac{1}{2}})$ in the sense of probability. Finally, numerical examples are given to elaborate the results.

Understanding the molecules and their textual descriptions via molecule language models (MoLM) recently got a surge of interest among researchers. However, unique challenges exist in the field of MoLM due to 1) a limited amount of molecule-text paired data and 2) missing expertise that occurred due to the specialized areas of focus among the experts. To this end, we propose AMOLE, which 1) augments molecule-text pairs with structural similarity preserving loss, and 2) transfers the expertise between the molecules. Extensive experiments on various downstream tasks demonstrate the superiority of AMOLE in comprehending molecules and their descriptions, highlighting its potential for application in real-world drug discovery.

This paper explores the synergistic potential of neuromorphic and edge computing to create a versatile machine learning (ML) system tailored for processing data captured by dynamic vision sensors. We construct and train hybrid models, blending spiking neural networks (SNNs) and artificial neural networks (ANNs) using PyTorch and Lava frameworks. Our hybrid architecture integrates an SNN for temporal feature extraction and an ANN for classification. We delve into the challenges of deploying such hybrid structures on hardware. Specifically, we deploy individual components on Intel's Neuromorphic Processor Loihi (for SNN) and Jetson Nano (for ANN). We also propose an accumulator circuit to transfer data from the spiking to the non-spiking domain. Furthermore, we conduct comprehensive performance analyses of hybrid SNN-ANN models on a heterogeneous system of neuromorphic and edge AI hardware, evaluating accuracy, latency, power, and energy consumption. Our findings demonstrate that the hybrid spiking networks surpass the baseline ANN model across all metrics and outperform the baseline SNN model in accuracy and latency.

This paper introduces the point-axis representation for oriented object detection, emphasizing its flexibility and geometrically intuitive nature with two key components: points and axes. 1) Points delineate the spatial extent and contours of objects, providing detailed shape descriptions. 2) Axes define the primary directionalities of objects, providing essential orientation cues crucial for precise detection. The point-axis representation decouples location and rotation, addressing the loss discontinuity issues commonly encountered in traditional bounding box-based approaches. For effective optimization without introducing additional annotations, we propose the max-projection loss to supervise point set learning and the cross-axis loss for robust axis representation learning. Further, leveraging this representation, we present the Oriented DETR model, seamlessly integrating the DETR framework for precise point-axis prediction and end-to-end detection. Experimental results demonstrate significant performance improvements in oriented object detection tasks.

This paper introduces the notion of referring forms as a new metric for analyzing sequential circuits from a functional perspective. Sequential circuits are modeled as causal stream functions, the outputs of which depend solely on the past and current inputs. Referring forms are defined based on the type expressions of functions and represent how a circuit refers to past inputs. The key contribution of this study is identifying a universal property in multiple clock domain circuits using referring forms. This theoretical framework is expected to enhance the comprehension and analysis of sequential circuits.

Pre-trained Language Models (PLMs) which are trained on large text corpus via self-supervised learning method, have yielded promising performance on various tasks in Natural Language Processing (NLP). However, though PLMs with huge parameters can effectively possess rich knowledge learned from massive training text and benefit downstream tasks at the fine-tuning stage, they still have some limitations such as poor reasoning ability due to the lack of external knowledge. Research has been dedicated to incorporating knowledge into PLMs to tackle these issues. In this paper, we present a comprehensive review of Knowledge-Enhanced Pre-trained Language Models (KE-PLMs) to provide a clear insight into this thriving field. We introduce appropriate taxonomies respectively for Natural Language Understanding (NLU) and Natural Language Generation (NLG) to highlight these two main tasks of NLP. For NLU, we divide the types of knowledge into four categories: linguistic knowledge, text knowledge, knowledge graph (KG), and rule knowledge. The KE-PLMs for NLG are categorized into KG-based and retrieval-based methods. Finally, we point out some promising future directions of KE-PLMs.

Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.

We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.