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Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods, however, are known to suffer from two major limitations: over-squashing and poor capturing of long-range dependencies. Recently, Graph Transformers (GTs) emerged as a powerful alternative to Message-Passing Neural Networks (MPNNs). GTs, however, have quadratic computational cost, lack inductive biases on graph structures, and rely on complex Positional/Structural Encodings (SE/PE). In this paper, we show that while Transformers, complex message-passing, and SE/PE are sufficient for good performance in practice, neither is necessary. Motivated by the recent success of State Space Models (SSMs), such as Mamba, we present Graph Mamba Networks (GMNs), a general framework for a new class of GNNs based on selective SSMs. We discuss and categorize the new challenges when adapting SSMs to graph-structured data, and present four required and one optional steps to design GMNs, where we choose (1) Neighborhood Tokenization, (2) Token Ordering, (3) Architecture of Bidirectional Selective SSM Encoder, (4) Local Encoding, and dispensable (5) PE and SE. We further provide theoretical justification for the power of GMNs. Experiments demonstrate that despite much less computational cost, GMNs attain an outstanding performance in long-range, small-scale, large-scale, and heterophilic benchmark datasets.

As Large Language Models (LLMs) rapidly evolve, their influence in science is becoming increasingly prominent. The emerging capabilities of LLMs in task generalization and free-form dialogue can significantly advance fields like chemistry and biology. However, the field of single-cell biology, which forms the foundational building blocks of living organisms, still faces several challenges. High knowledge barriers and limited scalability in current methods restrict the full exploitation of LLMs in mastering single-cell data, impeding direct accessibility and rapid iteration. To this end, we introduce ChatCell, which signifies a paradigm shift by facilitating single-cell analysis with natural language. Leveraging vocabulary adaptation and unified sequence generation, ChatCell has acquired profound expertise in single-cell biology and the capability to accommodate a diverse range of analysis tasks. Extensive experiments further demonstrate ChatCell's robust performance and potential to deepen single-cell insights, paving the way for more accessible and intuitive exploration in this pivotal field. Our project homepage is available at //zjunlp.github.io/project/ChatCell.

Various acceleration approaches for Policy Gradient (PG) have been analyzed within the realm of Reinforcement Learning (RL). However, the theoretical understanding of the widely used momentum-based acceleration method on PG remains largely open. In response to this gap, we adapt the celebrated Nesterov's accelerated gradient (NAG) method to policy optimization in RL, termed \textit{Accelerated Policy Gradient} (APG). To demonstrate the potential of APG in achieving fast convergence, we formally prove that with the true gradient and under the softmax policy parametrization, APG converges to an optimal policy at rates: (i) $\tilde{O}(1/t^2)$ with constant step sizes; (ii) $O(e^{-ct})$ with exponentially-growing step sizes. To the best of our knowledge, this is the first characterization of the convergence rates of NAG in the context of RL. Notably, our analysis relies on one interesting finding: Regardless of the parameter initialization, APG ends up entering a locally nearly-concave regime, where APG can significantly benefit from the momentum, within finite iterations. Through numerical validation and experiments on the Atari 2600 benchmarks, we confirm that APG exhibits a $\tilde{O}(1/t^2)$ rate with constant step sizes and a linear convergence rate with exponentially-growing step sizes, significantly improving convergence over the standard PG.

Large language models (LLMs) are becoming attractive as few-shot reasoners to solve Natural Language (NL)-related tasks. However, there is still much to learn about how well LLMs understand structured data, such as tables. Although tables can be used as input to LLMs with serialization, there is a lack of comprehensive studies that examine whether LLMs can truly comprehend such data. In this paper, we try to understand this by designing a benchmark to evaluate the structural understanding capabilities (SUC) of LLMs. The benchmark we create includes seven tasks, each with its own unique challenges, e.g., cell lookup, row retrieval, and size detection. We perform a series of evaluations on GPT-3.5 and GPT-4. We find that performance varied depending on several input choices, including table input format, content order, role prompting, and partition marks. Drawing from the insights gained through the benchmark evaluations, we propose \textit{self-augmentation} for effective structural prompting, such as critical value / range identification using internal knowledge of LLMs. When combined with carefully chosen input choices, these structural prompting methods lead to promising improvements in LLM performance on a variety of tabular tasks, e.g., TabFact($\uparrow2.31\%$), HybridQA($\uparrow2.13\%$), SQA($\uparrow2.72\%$), Feverous($\uparrow0.84\%$), and ToTTo($\uparrow5.68\%$). We believe that our open source benchmark and proposed prompting methods can serve as a simple yet generic selection for future research.

Hallucinations pose a significant challenge for the practical implementation of large language models (LLMs). The utilization of parametric knowledge in generating factual content is constrained by the limited knowledge of LLMs, potentially resulting in internal hallucinations. While incorporating external information can help fill knowledge gaps, it also introduces the risk of irrelevant information, thereby increasing the likelihood of external hallucinations. A careful and balanced integration of the parametric knowledge within LLMs with external information is crucial to alleviate hallucinations. In this study, we present Rowen, a novel approach that enhances LLMs with a selective retrieval augmentation process tailored to address hallucinated outputs. This process is governed by a multilingual semantic-aware detection module, which evaluates the consistency of the perturbed responses across various languages for the same queries. Upon detecting inconsistencies indicative of hallucinations, Rowen activates the retrieval of external information to rectify the model outputs. Rowen adeptly harmonizes the intrinsic parameters in LLMs with external knowledge sources, effectively mitigating hallucinations by ensuring a balanced integration of internal reasoning and external evidence. Through a comprehensive empirical analysis, we demonstrate that Rowen surpasses the current state-of-the-art in both detecting and mitigating hallucinated content within the outputs of LLMs.

Information Technology (IT) Operations (Ops), particularly Artificial Intelligence for IT Operations (AIOps), is the guarantee for maintaining the orderly and stable operation of existing information systems. According to Gartner's prediction, the use of AI technology for automated IT operations has become a new trend. Large language models (LLMs) that have exhibited remarkable capabilities in NLP-related tasks, are showing great potential in the field of AIOps, such as in aspects of root cause analysis of failures, generation of operations and maintenance scripts, and summarizing of alert information. Nevertheless, the performance of current LLMs in Ops tasks is yet to be determined. In this paper, we present OpsEval, a comprehensive task-oriented Ops benchmark designed for LLMs. For the first time, OpsEval assesses LLMs' proficiency in various crucial scenarios at different ability levels. The benchmark includes 7184 multi-choice questions and 1736 question-answering (QA) formats in English and Chinese. By conducting a comprehensive performance evaluation of the current leading large language models, we show how various LLM techniques can affect the performance of Ops, and discussed findings related to various topics, including model quantification, QA evaluation, and hallucination issues. To ensure the credibility of our evaluation, we invite dozens of domain experts to manually review our questions. At the same time, we have open-sourced 20% of the test QA to assist current researchers in preliminary evaluations of their OpsLLM models. The remaining 80% of the data, which is not disclosed, is used to eliminate the issue of the test set leakage. Additionally, we have constructed an online leaderboard that is updated in real-time and will continue to be updated, ensuring that any newly emerging LLMs will be evaluated promptly. Both our dataset and leaderboard have been made public.

Federated Learning (FL) represents a promising approach to typical privacy concerns associated with centralized Machine Learning (ML) deployments. Despite its well-known advantages, FL is vulnerable to security attacks such as Byzantine behaviors and poisoning attacks, which can significantly degrade model performance and hinder convergence. The effectiveness of existing approaches to mitigate complex attacks, such as median, trimmed mean, or Krum aggregation functions, has been only partially demonstrated in the case of specific attacks. Our study introduces a novel robust aggregation mechanism utilizing the Fourier Transform (FT), which is able to effectively handling sophisticated attacks without prior knowledge of the number of attackers. Employing this data technique, weights generated by FL clients are projected into the frequency domain to ascertain their density function, selecting the one exhibiting the highest frequency. Consequently, malicious clients' weights are excluded. Our proposed approach was tested against various model poisoning attacks, demonstrating superior performance over state-of-the-art aggregation methods.

Class-Incremental Learning (CIL) is a practical and challenging problem for achieving general artificial intelligence. Recently, Pre-Trained Models (PTMs) have led to breakthroughs in both visual and natural language processing tasks. Despite recent studies showing PTMs' potential ability to learn sequentially, a plethora of work indicates the necessity of alleviating the catastrophic forgetting of PTMs. Through a pilot study and a causal analysis of CIL, we reveal that the crux lies in the imbalanced causal effects between new and old data. Specifically, the new data encourage models to adapt to new classes while hindering the adaptation of old classes. Similarly, the old data encourages models to adapt to old classes while hindering the adaptation of new classes. In other words, the adaptation process between new and old classes conflicts from the causal perspective. To alleviate this problem, we propose Balancing the Causal Effects (BaCE) in CIL. Concretely, BaCE proposes two objectives for building causal paths from both new and old data to the prediction of new and classes, respectively. In this way, the model is encouraged to adapt to all classes with causal effects from both new and old data and thus alleviates the causal imbalance problem. We conduct extensive experiments on continual image classification, continual text classification, and continual named entity recognition. Empirical results show that BaCE outperforms a series of CIL methods on different tasks and settings.

Open World Object Detection (OWOD) is a challenging and realistic task that extends beyond the scope of standard Object Detection task. It involves detecting both known and unknown objects while integrating learned knowledge for future tasks. However, the level of "unknownness" varies significantly depending on the context. For example, a tree is typically considered part of the background in a self-driving scene, but it may be significant in a household context. We argue that this contextual information should already be embedded within the known classes. In other words, there should be a semantic or latent structure relationship between the known and unknown items to be discovered. Motivated by this observation, we propose Hyp-OW, a method that learns and models hierarchical representation of known items through a SuperClass Regularizer. Leveraging this representation allows us to effectively detect unknown objects using a similarity distance-based relabeling module. Extensive experiments on benchmark datasets demonstrate the effectiveness of Hyp-OW, achieving improvement in both known and unknown detection (up to 6 percent). These findings are particularly pronounced in our newly designed benchmark, where a strong hierarchical structure exists between known and unknown objects. Our code can be found at //github.com/boschresearch/Hyp-OW

Network Intrusion Detection Systems (NIDS) are a fundamental tool in cybersecurity. Their ability to generalize across diverse networks is a critical factor in their effectiveness and a prerequisite for real-world applications. In this study, we conduct a comprehensive analysis on the generalization of machine-learning-based NIDS through an extensive experimentation in a cross-dataset framework. We employ four machine learning classifiers and utilize four datasets acquired from different networks: CIC-IDS-2017, CSE-CIC-IDS2018, LycoS-IDS2017, and LycoS-Unicas-IDS2018. Notably, the last dataset is a novel contribution, where we apply corrections based on LycoS-IDS2017 to the well-known CSE-CIC-IDS2018 dataset. The results show nearly perfect classification performance when the models are trained and tested on the same dataset. However, when training and testing the models in a cross-dataset fashion, the classification accuracy is largely commensurate with random chance except for a few combinations of attacks and datasets. We employ data visualization techniques in order to provide valuable insights on the patterns in the data. Our analysis unveils the presence of anomalies in the data that directly hinder the classifiers capability to generalize the learned knowledge to new scenarios. This study enhances our comprehension of the generalization capabilities of machine-learning-based NIDS, highlighting the significance of acknowledging data heterogeneity.