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Artificial intelligence (AI) has played an increasingly important role in chemical research. However, most models currently used in chemistry are specialist models that require training and tuning for specific tasks. A more generic and efficient solution would be an AI model that could address many tasks and support free-form dialogue in the broad field of chemistry. In its utmost form, such a generalist AI chemist could be referred to as Chemical General Intelligence. Large language models (LLMs) have recently logged tremendous success in the general domain of natural language processing, showing emerging task generalization and free-form dialogue capabilities. However, domain knowledge of chemistry is largely missing when training general-domain LLMs. The lack of such knowledge greatly hinders the performance of generalist LLMs in the field of chemistry. To this end, we develop ChemDFM, a pioneering LLM for chemistry trained on 34B tokens from chemical literature and textbooks, and fine-tuned using 2.7M instructions. As a result, it can understand and reason with chemical knowledge in free-form dialogue. Quantitative evaluations show that ChemDFM significantly surpasses most representative open-source LLMs. It outperforms GPT-4 on a great portion of chemical tasks, despite the substantial size difference. We have open-sourced the inference codes, evaluation datasets, and model weights of ChemDFM on Huggingface (//huggingface.co/OpenDFM/ChemDFM-13B-v1.0).

Quantization of large language models (LLMs) faces significant challenges, particularly due to the presence of outlier activations that impede efficient low-bit representation. Traditional approaches predominantly address Normal Outliers, which are activations across all tokens with relatively large magnitudes. However, these methods struggle with smoothing Massive Outliers that display significantly larger values, which leads to significant performance degradation in low-bit quantization. In this paper, we introduce DuQuant, a novel approach that utilizes rotation and permutation transformations to more effectively mitigate both massive and normal outliers. First, DuQuant starts by constructing the rotation matrix, using specific outlier dimensions as prior knowledge, to redistribute outliers to adjacent channels by block-wise rotation. Second, We further employ a zigzag permutation to balance the distribution of outliers across blocks, thereby reducing block-wise variance. A subsequent rotation further smooths the activation landscape, enhancing model performance. DuQuant simplifies the quantization process and excels in managing outliers, outperforming the state-of-the-art baselines across various sizes and types of LLMs on multiple tasks, even with 4-bit weight-activation quantization. Our code is available at //github.com/Hsu1023/DuQuant.

In recent years, the remarkable progress of large language models (LLMs) has sparked interest in task automation, which involves decomposing complex tasks described by user instructions into sub-tasks and invoking external tools to execute them, playing a central role in autonomous agents. However, there is a lack of systematic and standardized benchmarks to promote the development of LLMs in task automation. To address this, we introduce TaskBench, a comprehensive framework to evaluate the capability of LLMs in task automation. Specifically, task automation can be divided into three critical stages: task decomposition, tool selection, and parameter prediction. To tackle the complexities inherent in these stages, we introduce the concept of Tool Graph to represent decomposed tasks and adopt a back-instruct method to generate high-quality user instructions. We propose TaskEval, a multi-faceted evaluation methodology that assesses LLM performance across these three stages. Our approach combines automated construction with rigorous human verification, ensuring high consistency with human evaluation. Experimental results demonstrate that TaskBench effectively reflects the capabilities of various LLMs in task automation. It provides insights into model performance across different task complexities and domains, pushing the boundaries of what current models can achieve. TaskBench offers a scalable, adaptable, and reliable benchmark for advancing LLM-based autonomous agents.

Although large language models (LLMs) have demonstrated their strong intelligence ability, the high demand for computation and storage hinders their practical application. To this end, many model compression techniques are proposed to increase the efficiency of LLMs. However, current researches only validate their methods on limited models, datasets, metrics, etc, and still lack a comprehensive evaluation under more general scenarios. So it is still a question of which model compression approach we should use under a specific case. To mitigate this gap, we present the Large Language Model Compression Benchmark (LLMCBench), a rigorously designed benchmark with an in-depth analysis for LLM compression algorithms. We first analyze the actual model production requirements and carefully design evaluation tracks and metrics. Then, we conduct extensive experiments and comparison using multiple mainstream LLM compression approaches. Finally, we perform an in-depth analysis based on the evaluation and provide useful insight for LLM compression design. We hope our LLMCBench can contribute insightful suggestions for LLM compression algorithm design and serve as a foundation for future research. Our code is available at //github.com/AboveParadise/LLMCBench.

Simultaneous Localization and Mapping (SLAM) technology has been widely applied in various robotic scenarios, from rescue operations to autonomous driving. However, the generalization of SLAM algorithms remains a significant challenge, as current datasets often lack scalability in terms of platforms and environments. To address this limitation, we present FusionPortableV2, a multi-sensor SLAM dataset featuring sensor diversity, varied motion patterns, and a wide range of environmental scenarios. Our dataset comprises $27$ sequences, spanning over $2.5$ hours and collected from four distinct platforms: a handheld suite, a legged robots, a unmanned ground vehicle (UGV), and a vehicle. These sequences cover diverse settings, including buildings, campuses, and urban areas, with a total length of $38.7km$. Additionally, the dataset includes ground-truth (GT) trajectories and RGB point cloud maps covering approximately $0.3km^2$. To validate the utility of our dataset in advancing SLAM research, we assess several state-of-the-art (SOTA) SLAM algorithms. Furthermore, we demonstrate the dataset's broad application beyond traditional SLAM tasks by investigating its potential for monocular depth estimation. The complete dataset, including sensor data, GT, and calibration details, is accessible at //fusionportable.github.io/dataset/fusionportable_v2.

Fully Homomorphic Encryption (FHE) has the potential to substantially improve privacy and security by enabling computation directly on encrypted data. This is especially true with deep learning, as today, many popular user services are powered by neural networks in the cloud. One of the major challenges facing wide-scale deployment of FHE-secured neural inference is effectively mapping these networks to FHE primitives. FHE poses many programming challenges including packing large vectors, automatically managing noise via bootstrapping, and translating arbitrary and general-purpose programs to the limited instruction set provided by FHE. These challenges make building large FHE neural networks intractable using the tools available today. In this paper we address these challenges with Orion, a fully-automated framework for private neural inference in FHE. Orion accepts deep neural networks written in PyTorch and translates them into efficient FHE programs. We achieve this by proposing a novel single-shot multiplexed packing strategy for arbitrary convolutions and through a new, efficient technique to automate bootstrap placement. We evaluate Orion on common benchmarks used by the FHE deep learning community and outperform state-of-the-art by $2.38 \times$ on ResNet-20, the largest network they report. Orion extends naturally to larger networks. We demonstrate this by evaluating ResNet-50 on ImageNet and present the first high-resolution homomorphic object detection experiments using a YOLO-v1 model with 139 million parameters. Finally, we open-source our framework Orion at the following repository: //github.com/baahl-nyu/orion

Face recognition technology has advanced significantly in recent years due largely to the availability of large and increasingly complex training datasets for use in deep learning models. These datasets, however, typically comprise images scraped from news sites or social media platforms and, therefore, have limited utility in more advanced security, forensics, and military applications. These applications require lower resolution, longer ranges, and elevated viewpoints. To meet these critical needs, we collected and curated the first and second subsets of a large multi-modal biometric dataset designed for use in the research and development (R&D) of biometric recognition technologies under extremely challenging conditions. Thus far, the dataset includes more than 350,000 still images and over 1,300 hours of video footage of approximately 1,000 subjects. To collect this data, we used Nikon DSLR cameras, a variety of commercial surveillance cameras, specialized long-rage R&D cameras, and Group 1 and Group 2 UAV platforms. The goal is to support the development of algorithms capable of accurately recognizing people at ranges up to 1,000 m and from high angles of elevation. These advances will include improvements to the state of the art in face recognition and will support new research in the area of whole-body recognition using methods based on gait and anthropometry. This paper describes methods used to collect and curate the dataset, and the dataset's characteristics at the current stage.

Autonomic computing investigates how systems can achieve (user) specified control outcomes on their own, without the intervention of a human operator. Autonomic computing fundamentals have been substantially influenced by those of control theory for closed and open-loop systems. In practice, complex systems may exhibit a number of concurrent and inter-dependent control loops. Despite research into autonomic models for managing computer resources, ranging from individual resources (e.g., web servers) to a resource ensemble (e.g., multiple resources within a data center), research into integrating Artificial Intelligence (AI) and Machine Learning (ML) to improve resource autonomy and performance at scale continues to be a fundamental challenge. The integration of AI/ML to achieve such autonomic and self-management of systems can be achieved at different levels of granularity, from full to human-in-the-loop automation. In this article, leading academics, researchers, practitioners, engineers, and scientists in the fields of cloud computing, AI/ML, and quantum computing join to discuss current research and potential future directions for these fields. Further, we discuss challenges and opportunities for leveraging AI and ML in next generation computing for emerging computing paradigms, including cloud, fog, edge, serverless and quantum computing environments.

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.

Explainable recommendation attempts to develop models that generate not only high-quality recommendations but also intuitive explanations. The explanations may either be post-hoc or directly come from an explainable model (also called interpretable or transparent model in some context). Explainable recommendation tries to address the problem of why: by providing explanations to users or system designers, it helps humans to understand why certain items are recommended by the algorithm, where the human can either be users or system designers. Explainable recommendation helps to improve the transparency, persuasiveness, effectiveness, trustworthiness, and satisfaction of recommendation systems. In this survey, we review works on explainable recommendation in or before the year of 2019. We first highlight the position of explainable recommendation in recommender system research by categorizing recommendation problems into the 5W, i.e., what, when, who, where, and why. We then conduct a comprehensive survey of explainable recommendation on three perspectives: 1) We provide a chronological research timeline of explainable recommendation, including user study approaches in the early years and more recent model-based approaches. 2) We provide a two-dimensional taxonomy to classify existing explainable recommendation research: one dimension is the information source (or display style) of the explanations, and the other dimension is the algorithmic mechanism to generate explainable recommendations. 3) We summarize how explainable recommendation applies to different recommendation tasks, such as product recommendation, social recommendation, and POI recommendation. We also devote a section to discuss the explanation perspectives in broader IR and AI/ML research. We end the survey by discussing potential future directions to promote the explainable recommendation research area and beyond.