KaLM: Knowledge-aligned Autoregressive Language Modeling via Dual-view Knowledge Graph Contrastive Learning

Autoregressive large language models (LLMs) pre-trained by next token prediction are inherently proficient in generative tasks. However, their performance on knowledge-driven tasks such as factual knowledge querying remains unsatisfactory. Knowledge graphs (KGs), as high-quality structured knowledge bases, can provide reliable knowledge for LLMs, potentially compensating for their knowledge deficiencies. Aligning LLMs with explicit, structured knowledge from KGs has been a challenge; previous attempts either failed to effectively align knowledge representations or compromised the generative capabilities of LLMs, leading to less-than-optimal outcomes. This paper proposes \textbf{KaLM}, a \textit{Knowledge-aligned Language Modeling} approach, which fine-tunes autoregressive LLMs to align with KG knowledge via the joint objective of explicit knowledge alignment and implicit knowledge alignment. The explicit knowledge alignment objective aims to directly optimize the knowledge representation of LLMs through dual-view knowledge graph contrastive learning. The implicit knowledge alignment objective focuses on incorporating textual patterns of knowledge into LLMs through triple completion language modeling. Notably, our method achieves a significant performance boost in evaluations of knowledge-driven tasks, specifically embedding-based knowledge graph completion and generation-based knowledge graph question answering.

Synergistic Development of Perovskite Memristors and Algorithms for Robust Analog Computing

Analog computing using non-volatile memristors has emerged as a promising solution for energy-efficient deep learning. New materials, like perovskites-based memristors are recently attractive due to their cost-effectiveness, energy efficiency and flexibility. Yet, challenges in material diversity and immature fabrications require extensive experimentation for device development. Moreover, significant non-idealities in these memristors often impede them for computing. Here, we propose a synergistic methodology to concurrently optimize perovskite memristor fabrication and develop robust analog DNNs that effectively address the inherent non-idealities of these memristors. Employing Bayesian optimization (BO) with a focus on usability, we efficiently identify optimal materials and fabrication conditions for perovskite memristors. Meanwhile, we developed "BayesMulti", a DNN training strategy utilizing BO-guided noise injection to improve the resistance of analog DNNs to memristor imperfections. Our approach theoretically ensures that within a certain range of parameter perturbations due to memristor non-idealities, the prediction outcomes remain consistent. Our integrated approach enables use of analog computing in much deeper and wider networks, which significantly outperforms existing methods in diverse tasks like image classification, autonomous driving, species identification, and large vision-language models, achieving up to 100-fold improvements. We further validate our methodology on a 10$\times$10 optimized perovskite memristor crossbar, demonstrating high accuracy in a classification task and low energy consumption. This study offers a versatile solution for efficient optimization of various analog computing systems, encompassing both devices and algorithms.

AceParse: A Comprehensive Dataset with Diverse Structured Texts for Academic Literature Parsing

With the development of data-centric AI, the focus has shifted from model-driven approaches to improving data quality. Academic literature, as one of the crucial types, is predominantly stored in PDF formats and needs to be parsed into texts before further processing. However, parsing diverse structured texts in academic literature remains challenging due to the lack of datasets that cover various text structures. In this paper, we introduce AceParse, the first comprehensive dataset designed to support the parsing of a wide range of structured texts, including formulas, tables, lists, algorithms, and sentences with embedded mathematical expressions. Based on AceParse, we fine-tuned a multimodal model, named AceParser, which accurately parses various structured texts within academic literature. This model outperforms the previous state-of-the-art by 4.1% in terms of F1 score and by 5% in Jaccard Similarity, demonstrating the potential of multimodal models in academic literature parsing. Our dataset is available at https://github.com/JHW5981/AceParse.

Mutual Theory of Mind in Human-AI Collaboration: An Empirical Study with LLM-driven AI Agents in a Real-time Shared Workspace Task

Theory of Mind (ToM) significantly impacts human collaboration and communication as a crucial capability to understand others. When AI agents with ToM capability collaborate with humans, Mutual Theory of Mind (MToM) arises in such human-AI teams (HATs). The MToM process, which involves interactive communication and ToM-based strategy adjustment, affects the team's performance and collaboration process. To explore the MToM process, we conducted a mixed-design experiment using a large language model-driven AI agent with ToM and communication modules in a real-time shared-workspace task. We find that the agent's ToM capability does not significantly impact team performance but enhances human understanding of the agent and the feeling of being understood. Most participants in our study believe verbal communication increases human burden, and the results show that bidirectional communication leads to lower HAT performance. We discuss the results' implications for designing AI agents that collaborate with humans in real-time shared workspace tasks.

Unlock the Power of Frozen LLMs in Knowledge Graph Completion

Classical knowledge graph completion (KGC) methods rely solely on structural information, struggling with the inherent sparsity of knowledge graphs (KGs). Large Language Models (LLMs) learn extensive knowledge from large corpora with powerful context modeling, which is ideal for mitigating the limitations of previous methods. Directly fine-tuning LLMs offers great capability but comes at the cost of huge time and memory consumption, while utilizing frozen LLMs yields suboptimal results. In this work, we aim to leverage LLMs for KGC effectively and efficiently. We capture the context-aware hidden states of knowledge triples by employing prompts to stimulate the intermediate layers of LLMs. We then train a data-efficient classifier on these hidden states to harness the inherent capabilities of frozen LLMs in KGC. We also generate entity descriptions with subgraph sampling on KGs, reducing the ambiguity of triplets and enriching the knowledge representation. Extensive experiments on standard benchmarks showcase the efficiency and effectiveness of our approach. We outperform classical KGC methods on most datasets and match the performance of fine-tuned LLMs. Additionally, compared to fine-tuned LLMs, we boost GPU memory efficiency by \textbf{$188\times$} and speed up training+inference by \textbf{$13.48\times$}.

MTSCI: A Conditional Diffusion Model for Multivariate Time Series Consistent Imputation

Missing values are prevalent in multivariate time series, compromising the integrity of analyses and degrading the performance of downstream tasks. Consequently, research has focused on multivariate time series imputation, aiming to accurately impute the missing values based on available observations. A key research question is how to ensure imputation consistency, i.e., intra-consistency between observed and imputed values, and inter-consistency between adjacent windows after imputation. However, previous methods rely solely on the inductive bias of the imputation targets to guide the learning process, ignoring imputation consistency and ultimately resulting in poor performance. Diffusion models, known for their powerful generative abilities, prefer to generate consistent results based on available observations. Therefore, we propose a conditional diffusion model for Multivariate Time Series Consistent Imputation (MTSCI). Specifically, MTSCI employs a contrastive complementary mask to generate dual views during the forward noising process. Then, the intra contrastive loss is calculated to ensure intra-consistency between the imputed and observed values. Meanwhile, MTSCI utilizes a mixup mechanism to incorporate conditional information from adjacent windows during the denoising process, facilitating the inter-consistency between imputed samples. Extensive experiments on multiple real-world datasets demonstrate that our method achieves the state-of-the-art performance on multivariate time series imputation task under different missing scenarios. Code is available at https://github.com/JeremyChou28/MTSCI.

Exterior Penalty Policy Optimization with Penalty Metric Network under Constraints

In Constrained Reinforcement Learning (CRL), agents explore the environment to learn the optimal policy while satisfying constraints. The penalty function method has recently been studied as an effective approach for handling constraints, which imposes constraints penalties on the objective to transform the constrained problem into an unconstrained one. However, it is challenging to choose appropriate penalties that balance policy performance and constraint satisfaction efficiently. In this paper, we propose a theoretically guaranteed penalty function method, Exterior Penalty Policy Optimization (EPO), with adaptive penalties generated by a Penalty Metric Network (PMN). PMN responds appropriately to varying degrees of constraint violations, enabling efficient constraint satisfaction and safe exploration. We theoretically prove that EPO consistently improves constraint satisfaction with a convergence guarantee. We propose a new surrogate function and provide worst-case constraint violation and approximation error. In practice, we propose an effective smooth penalty function, which can be easily implemented with a first-order optimizer. Extensive experiments are conducted, showing that EPO outperforms the baselines in terms of policy performance and constraint satisfaction with a stable training process, particularly on complex tasks.

MagiNet: Mask-Aware Graph Imputation Network for Incomplete Traffic Data

Due to detector malfunctions and communication failures, missing data is ubiquitous during the collection of traffic data. Therefore, it is of vital importance to impute the missing values to facilitate data analysis and decision-making for Intelligent Transportation System (ITS). However, existing imputation methods generally perform zero pre-filling techniques to initialize missing values, introducing inevitable noises. Moreover, we observe prevalent over-smoothing interpolations, falling short in revealing the intrinsic spatio-temporal correlations of incomplete traffic data. To this end, we propose Mask-Aware Graph imputation Network: MagiNet. Our method designs an adaptive mask spatio-temporal encoder to learn the latent representations of incomplete data, eliminating the reliance on pre-filling missing values. Furthermore, we devise a spatio-temporal decoder that stacks multiple blocks to capture the inherent spatial and temporal dependencies within incomplete traffic data, alleviating over-smoothing imputation. Extensive experiments demonstrate that our method outperforms state-of-the-art imputation methods on five real-world traffic datasets, yielding an average improvement of 4.31% in RMSE and 3.72% in MAPE.

CRoFT: Robust Fine-Tuning with Concurrent Optimization for OOD Generalization and Open-Set OOD Detection

Recent vision-language pre-trained models (VL-PTMs) have shown remarkable success in open-vocabulary tasks. However, downstream use cases often involve further fine-tuning of VL-PTMs, which may distort their general knowledge and impair their ability to handle distribution shifts. In real-world scenarios, machine learning systems inevitably encounter both covariate shifts (e.g., changes in image styles) and semantic shifts (e.g., test-time unseen classes). This highlights the importance of enhancing out-of-distribution (OOD) generalization on covariate shifts and simultaneously detecting semantic-shifted unseen classes. Thus a critical but underexplored question arises: How to improve VL-PTMs' generalization ability to closed-set OOD data, while effectively detecting open-set unseen classes during fine-tuning? In this paper, we propose a novel objective function of OOD detection that also serves to improve OOD generalization. We show that minimizing the gradient magnitude of energy scores on training data leads to domain-consistent Hessians of classification loss, a strong indicator for OOD generalization revealed by theoretical analysis. Based on this finding, we have developed a unified fine-tuning framework that allows for concurrent optimization of both tasks. Extensive experiments have demonstrated the superiority of our method. The code is available at https://github.com/LinLLLL/CRoFT.

OXYGENERATOR: Reconstructing Global Ocean Deoxygenation Over a Century with Deep Learning

Accurately reconstructing the global ocean deoxygenation over a century is crucial for assessing and protecting marine ecosystem. Existing expert-dominated numerical simulations fail to catch up with the dynamic variation caused by global warming and human activities. Besides, due to the high-cost data collection, the historical observations are severely sparse, leading to big challenge for precise reconstruction. In this work, we propose OxyGenerator, the first deep learning based model, to reconstruct the global ocean deoxygenation from 1920 to 2023. Specifically, to address the heterogeneity across large temporal and spatial scales, we propose zoning-varying graph message-passing to capture the complex oceanographic correlations between missing values and sparse observations. Additionally, to further calibrate the uncertainty, we incorporate inductive bias from dissolved oxygen (DO) variations and chemical effects. Compared with in-situ DO observations, OxyGenerator significantly outperforms CMIP6 numerical simulations, reducing MAPE by 38.77%, demonstrating a promising potential to understand the "breathless ocean" in data-driven manner.