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Object detection and multiple object tracking (MOT) are essential components of self-driving systems. Accurate detection and uncertainty quantification are both critical for onboard modules, such as perception, prediction, and planning, to improve the safety and robustness of autonomous vehicles. Collaborative object detection (COD) has been proposed to improve detection accuracy and reduce uncertainty by leveraging the viewpoints of multiple agents. However, little attention has been paid to how to leverage the uncertainty quantification from COD to enhance MOT performance. In this paper, as the first attempt to address this challenge, we design an uncertainty propagation framework called MOT-CUP. Our framework first quantifies the uncertainty of COD through direct modeling and conformal prediction, and propagates this uncertainty information into the motion prediction and association steps. MOT-CUP is designed to work with different collaborative object detectors and baseline MOT algorithms. We evaluate MOT-CUP on V2X-Sim, a comprehensive collaborative perception dataset, and demonstrate a 2% improvement in accuracy and a 2.67X reduction in uncertainty compared to the baselines, e.g. SORT and ByteTrack. In scenarios characterized by high occlusion levels, our MOT-CUP demonstrates a noteworthy $4.01\%$ improvement in accuracy. MOT-CUP demonstrates the importance of uncertainty quantification in both COD and MOT, and provides the first attempt to improve the accuracy and reduce the uncertainty in MOT based on COD through uncertainty propagation. Our code is public on //coperception.github.io/MOT-CUP/.

The number of Language Models (LMs) dedicated to processing scientific text is on the rise. Keeping pace with the rapid growth of scientific LMs (SciLMs) has become a daunting task for researchers. To date, no comprehensive surveys on SciLMs have been undertaken, leaving this issue unaddressed. Given the constant stream of new SciLMs, appraising the state-of-the-art and how they compare to each other remain largely unknown. This work fills that gap and provides a comprehensive review of SciLMs, including an extensive analysis of their effectiveness across different domains, tasks and datasets, and a discussion on the challenges that lie ahead.

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

Ising Machine is a promising computing approach for solving combinatorial optimization problems. It is naturally suited for energy-saving and compact in-memory computing implementations with emerging memories. A na\"ive in-memory computing implementation of a quadratic Ising Machine requires an array of coupling weights that grows quadratically with problem size. However, the resources in such an approach are used inefficiently due to sparsity in practical optimization problems. We first show that this issue can be addressed by partitioning a coupling array into smaller sub-arrays. This technique, however, requires interconnecting subarrays; hence, we developed in-memory computing architecture for quadratic Ising Machines inspired by island-type field programmable gate arrays, which is the main contribution of our paper. We adapt open-source tools to optimize problem embedding and model routing overhead. Modeling results of benchmark problems for the developed architecture show up to 60x area improvement and faster operation than the baseline approach. Finally, we discuss algorithm/circuit co-design techniques for further improvements.

Large Language Models (LLMs) perform well on basic programming problems. However, they encounter challenges when dealing with complex tasks involving the use of diverse algorithmic and data structure skills, particularly programming competition-level problems. Notably, ChatGPT exhibits proficient performance on problems it has encountered during its pre-training phase, but this performance deteriorates when faced with novel problems. Consequently, enhancing the ability of LLMs to address unfamiliar problems has emerged as a pivotal research focus. The problem-solving process of LLMs mirrors human programmers' approach to a certain extent. When confronted with new programming tasks, human programmers engage in task planning and code writing with the previously acquired knowledge about algorithms and data structures. Despite having learned such knowledge, LLMs struggle to effectively apply it when faced with specific new problems. To address this issue, we constructed a novel dataset, CodeF, which contains a portion of programming problems that ChatGPT has not previously encountered. Furthermore, we developed a Knowledge Library tailored for Python programming contest problems and introduced the concept of Knowledge-Aware Code Generation (KareCoder). KareCoder bolsters the models' understanding and problem-solving capabilities by integrating prompt and knowledge from the library into the LLMs' code generation reasoning process, especially on Pass@1 metrics. Upon testing on the CodeF and APPS datasets, KareCoder demonstrated outstanding performance in handling novel problems previously unencountered by LLMs. In contrast with the code directly generated by ChatGPT, KareCoder achieved a relative improvement of 23.3% on the Pass@1 metric on the CodeF post2021-9 dataset. Additionally, it performs well compared to other methods when dealing with problems that LLMs have previously encountered.

Causal effect estimation from observational data is a fundamental task in empirical sciences. It becomes particularly challenging when unobserved confounders are involved in a system. This paper focuses on front-door adjustment -- a classic technique which, using observed mediators allows to identify causal effects even in the presence of unobserved confounding. While the statistical properties of the front-door estimation are quite well understood, its algorithmic aspects remained unexplored for a long time. In 2022, Jeong, Tian, and Bareinboim presented the first polynomial-time algorithm for finding sets satisfying the front-door criterion in a given directed acyclic graph (DAG), with an $O(n^3(n+m))$ run time, where $n$ denotes the number of variables and $m$ the number of edges of the causal graph. In our work, we give the first linear-time, i.e., $O(n+m)$, algorithm for this task, which thus reaches the asymptotically optimal time complexity. This result implies an $O(n(n+m))$ delay enumeration algorithm of all front-door adjustment sets, again improving previous work by a factor of $n^3$. Moreover, we provide the first linear-time algorithm for finding a minimal front-door adjustment set. We offer implementations of our algorithms in multiple programming languages to facilitate practical usage and empirically validate their feasibility, even for large graphs.

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.

Knowledge graphs (KGs) serve as useful resources for various natural language processing applications. Previous KG completion approaches require a large number of training instances (i.e., head-tail entity pairs) for every relation. The real case is that for most of the relations, very few entity pairs are available. Existing work of one-shot learning limits method generalizability for few-shot scenarios and does not fully use the supervisory information; however, few-shot KG completion has not been well studied yet. In this work, we propose a novel few-shot relation learning model (FSRL) that aims at discovering facts of new relations with few-shot references. FSRL can effectively capture knowledge from heterogeneous graph structure, aggregate representations of few-shot references, and match similar entity pairs of reference set for every relation. Extensive experiments on two public datasets demonstrate that FSRL outperforms the state-of-the-art.

Text Classification is an important and classical problem in natural language processing. There have been a number of studies that applied convolutional neural networks (convolution on regular grid, e.g., sequence) to classification. However, only a limited number of studies have explored the more flexible graph convolutional neural networks (convolution on non-grid, e.g., arbitrary graph) for the task. In this work, we propose to use graph convolutional networks for text classification. We build a single text graph for a corpus based on word co-occurrence and document word relations, then learn a Text Graph Convolutional Network (Text GCN) for the corpus. Our Text GCN is initialized with one-hot representation for word and document, it then jointly learns the embeddings for both words and documents, as supervised by the known class labels for documents. Our experimental results on multiple benchmark datasets demonstrate that a vanilla Text GCN without any external word embeddings or knowledge outperforms state-of-the-art methods for text classification. On the other hand, Text GCN also learns predictive word and document embeddings. In addition, experimental results show that the improvement of Text GCN over state-of-the-art comparison methods become more prominent as we lower the percentage of training data, suggesting the robustness of Text GCN to less training data in text classification.