arXiv subjects

An Zhang

Publications and source records attributed to An Zhang.

At least 91 records · Page 5Linked to original sources

arXiv2024

Approximation algorithms for non-sequential star packing problems

For a positive integer $k \ge 1$, a $k$-star ($k^+$-star, $k^-$-star, respectively) is a connected graph containing a degree-$\ell$ vertex and $\ell$ degree-$1$ vertices, where $\ell = k$ ($\ell \ge k$, $1 \le \ell \le k$, respectively). The $k^+$-star packing problem is to cover as many vertices of an input graph $G$ as possible using vertex-disjoint $k^+$-stars in $G$; and given $k > t \ge 1$, the $k^-/t$-star packing problem is to cover as many vertices of $G$ as possible using vertex-disjoint $k^-$-stars but no $t$-stars in $G$. Both problems are NP-hard for any fixed $k \ge 2$. We present a $(1 + \frac {k^2}{2k+1})$- and a $\frac 32$-approximation algorithms for the $k^+$-star packing problem when $k \ge 3$ and $k = 2$, respectively, and a $(1 + \frac 1{t + 1 + 1/k})$-approximation algorithm for the $k^-/t$-star packing problem when $k > t \ge 2$. They are all local search algorithms and they improve the best known approximation algorithms for the problems, respectively.

cs.DS↗

arXiv2024

On Generative Agents in Recommendation

Recommender systems are the cornerstone of today's information dissemination, yet a disconnect between offline metrics and online performance greatly hinders their development. Addressing this challenge, we envision a recommendation simulator, capitalizing on recent breakthroughs in human-level intelligence exhibited by Large Language Models (LLMs). We propose Agent4Rec, a user simulator in recommendation, leveraging LLM-empowered generative agents equipped with user profile, memory, and actions modules specifically tailored for the recommender system. In particular, these agents' profile modules are initialized using real-world datasets (e.g. MovieLens, Steam, Amazon-Book), capturing users' unique tastes and social traits; memory modules log both factual and emotional memories and are integrated with an emotion-driven reflection mechanism; action modules support a wide variety of behaviors, spanning both taste-driven and emotion-driven actions. Each agent interacts with personalized recommender models in a page-by-page manner, relying on a pre-implemented collaborative filtering-based recommendation algorithm. We delve into both the capabilities and limitations of Agent4Rec, aiming to explore an essential research question: ``To what extent can LLM-empowered generative agents faithfully simulate the behavior of real, autonomous humans in recommender systems?'' Extensive and multi-faceted evaluations of Agent4Rec highlight both the alignment and deviation between agents and user-personalized preferences. Beyond mere performance comparison, we explore insightful experiments, such as emulating the filter bubble effect and discovering the underlying causal relationships in recommendation tasks. Our codes are available at https://github.com/LehengTHU/Agent4Rec.

cs.IR↗

arXiv2024

ALI-Agent: Assessing LLMs' Alignment with Human Values via Agent-based Evaluation

Large Language Models (LLMs) can elicit unintended and even harmful content when misaligned with human values, posing severe risks to users and society. To mitigate these risks, current evaluation benchmarks predominantly employ expert-designed contextual scenarios to assess how well LLMs align with human values. However, the labor-intensive nature of these benchmarks limits their test scope, hindering their ability to generalize to the extensive variety of open-world use cases and identify rare but crucial long-tail risks. Additionally, these static tests fail to adapt to the rapid evolution of LLMs, making it hard to evaluate timely alignment issues. To address these challenges, we propose ALI-Agent, an evaluation framework that leverages the autonomous abilities of LLM-powered agents to conduct in-depth and adaptive alignment assessments. ALI-Agent operates through two principal stages: Emulation and Refinement. During the Emulation stage, ALI-Agent automates the generation of realistic test scenarios. In the Refinement stage, it iteratively refines the scenarios to probe long-tail risks. Specifically, ALI-Agent incorporates a memory module to guide test scenario generation, a tool-using module to reduce human labor in tasks such as evaluating feedback from target LLMs, and an action module to refine tests. Extensive experiments across three aspects of human values--stereotypes, morality, and legality--demonstrate that ALI-Agent, as a general evaluation framework, effectively identifies model misalignment. Systematic analysis also validates that the generated test scenarios represent meaningful use cases, as well as integrate enhanced measures to probe long-tail risks. Our code is available at https://github.com/SophieZheng998/ALI-Agent.git

cs.AI↗

arXiv2024

On Softmax Direct Preference Optimization for Recommendation

Recommender systems aim to predict personalized rankings based on user preference data. With the rise of Language Models (LMs), LM-based recommenders have been widely explored due to their extensive world knowledge and powerful reasoning abilities. Most of the LM-based recommenders convert historical interactions into language prompts, pairing with a positive item as the target response and fine-tuning LM with a language modeling loss. However, the current objective fails to fully leverage preference data and is not optimized for personalized ranking tasks, which hinders the performance of LM-based recommenders. Inspired by the current advancement of Direct Preference Optimization (DPO) in human preference alignment and the success of softmax loss in recommendations, we propose Softmax-DPO (S-DPO) to instill ranking information into the LM to help LM-based recommenders distinguish preferred items from negatives, rather than solely focusing on positives. Specifically, we incorporate multiple negatives in user preference data and devise an alternative version of DPO loss tailored for LM-based recommenders, which is extended from the traditional full-ranking Plackett-Luce (PL) model to partial rankings and connected to softmax sampling strategies. Theoretically, we bridge S-DPO with the softmax loss over negative sampling and find that it has an inherent benefit of mining hard negatives, which assures its exceptional capabilities in recommendation tasks. Empirically, extensive experiments conducted on three real-world datasets demonstrate the superiority of S-DPO to effectively model user preference and further boost recommendation performance while providing better rewards for preferred items. Our codes are available at https://github.com/chenyuxin1999/S-DPO.

cs.IR↗

arXiv2024

Generate and Instantiate What You Prefer: Text-Guided Diffusion for Sequential Recommendation

Recent advancements in generative recommendation systems, particularly in the realm of sequential recommendation tasks, have shown promise in enhancing generalization to new items. Among these approaches, diffusion-based generative recommendation has emerged as an effective tool, leveraging its ability to capture data distributions and generate high-quality samples. Despite effectiveness, two primary challenges have been identified: 1) the lack of consistent modeling of data distribution for oracle items; and 2) the difficulty in scaling to more informative control signals beyond historical interactions. These issues stem from the uninformative nature of ID embeddings, which necessitate random initialization and limit the incorporation of additional control signals. To address these limitations, we propose iDreamRec to involve more concrete prior knowledge to establish item embeddings, particularly through detailed item text descriptions and advanced Text Embedding Models (TEM). More importantly, by converting item descriptions into embeddings aligned with TEM, we enable the integration of intention instructions as control signals to guide the generation of oracle items. Experimental results on four datasets demonstrate that iDreamRec not only outperforms existing diffusion-based generative recommenders but also facilitates the incorporation of intention instructions for more precise and effective recommendation generation.

cs.IR↗

arXiv2024

Neuron-Level Sequential Editing for Large Language Models

This work explores sequential model editing in large language models (LLMs), a critical task that involves modifying internal knowledge within LLMs continuously through multi-round editing, each incorporating updates or corrections to adjust the model outputs without the need for costly retraining. Existing model editing methods, especially those that alter model parameters, typically focus on single-round editing and often face significant challenges in sequential model editing-most notably issues of model forgetting and failure. To address these challenges, we introduce a new model editing method, namely \textbf{N}euron-level \textbf{S}equential \textbf{E}diting (NSE), tailored for supporting sequential model editing. Specifically, we optimize the target layer's hidden states using the model's original weights to prevent model failure. Furthermore, we iteratively select neurons in multiple layers for editing based on their activation values to mitigate model forgetting. Our empirical experiments demonstrate that NSE significantly outperforms current modifying parameters model editing methods, marking a substantial advancement in the field of sequential model editing. Our code is released on \url{https://github.com/jianghoucheng/NSE}.

cs.CL↗

arXiv2024

Text-guided Diffusion Model for 3D Molecule Generation

The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property values as conditions, struggling with complex customizations described in detailed human language. To address this, we propose the text guidance instead, and introduce TextSMOG, a new Text-guided Small Molecule Generation Approach via 3D Diffusion Model which integrates language and diffusion models for text-guided small molecule generation. This method uses textual conditions to guide molecule generation, enhancing both stability and diversity. Experimental results show TextSMOG's proficiency in capturing and utilizing information from textual descriptions, making it a powerful tool for generating 3D molecular structures in response to complex textual customizations.

cs.LG↗

arXiv2024

MASKDROID: Robust Android Malware Detection with Masked Graph Representations

Android malware attacks have posed a severe threat to mobile users, necessitating a significant demand for the automated detection system. Among the various tools employed in malware detection, graph representations (e.g., function call graphs) have played a pivotal role in characterizing the behaviors of Android apps. However, though achieving impressive performance in malware detection, current state-of-the-art graph-based malware detectors are vulnerable to adversarial examples. These adversarial examples are meticulously crafted by introducing specific perturbations to normal malicious inputs. To defend against adversarial attacks, existing defensive mechanisms are typically supplementary additions to detectors and exhibit significant limitations, often relying on prior knowledge of adversarial examples and failing to defend against unseen types of attacks effectively. In this paper, we propose MASKDROID, a powerful detector with a strong discriminative ability to identify malware and remarkable robustness against adversarial attacks. Specifically, we introduce a masking mechanism into the Graph Neural Network (GNN) based framework, forcing MASKDROID to recover the whole input graph using a small portion (e.g., 20%) of randomly selected nodes.This strategy enables the model to understand the malicious semantics and learn more stable representations, enhancing its robustness against adversarial attacks. While capturing stable malicious semantics in the form of dependencies inside the graph structures, we further employ a contrastive module to encourage MASKDROID to learn more compact representations for both the benign and malicious classes to boost its discriminative power in detecting malware from benign apps and adversarial examples.

cs.CR↗

arXiv2024

Modular representation of Reductive Lie algebras and related combinatorial category

We introduce and study a ``combinatorial" category related to the representations of reduced enveloping algebras of reductive Lie algebras in ``standard Levi form". It is compatible with the so-called AJS category in \cite{AJS94}, where AJS category is an important role in studying the Lusztig's conjecture on characters of irreducible modules of algebraic group.

math.RT↗

arXiv2024

Rate of convergence of the Kac particle system for the Boltzmann equation with hard potentials

In this paper, we prove that the Kac stochastic particle system converges to the weak solution of the spatially homogeneous Boltzmann equation for hard potentials and hard spheres. We give, under the initial data with finite exponential moment assumption, an explicit rate of propagation of chaos in squared Wasserstein distance with quadratic cost by using a double coupling technique.

math.PR↗

arXiv2024

Scaling limits for supercritical nearly unstable Hawkes processes

In this paper, we investigate the asymptotic behavior of nearly unstable Hawkes processes whose regression kernel has $L^1$ norm strictly greater than one and close to one as time goes to infinity. We find that,the scaling size determines the scaling behavior of the processes like in \cite{MR3313750}. Specifically,after suitable rescaling, the limit of the sequence of Hawkes processes is deterministic.And also with another appropriate rescaling, the sequence converges in law to an integrated Cox Ingersoll Ross like process. This theoretical result may apply to model the recent COVID19 in epidemiology and in social network.

math.PR↗

arXiv2024

Disentangling Masked Autoencoders for Unsupervised Domain Generalization

Domain Generalization (DG), designed to enhance out-of-distribution (OOD) generalization, is all about learning invariance against domain shifts utilizing sufficient supervision signals. Yet, the scarcity of such labeled data has led to the rise of unsupervised domain generalization (UDG) - a more important yet challenging task in that models are trained across diverse domains in an unsupervised manner and eventually tested on unseen domains. UDG is fast gaining attention but is still far from well-studied. To close the research gap, we propose a novel learning framework designed for UDG, termed the Disentangled Masked Auto Encoder (DisMAE), aiming to discover the disentangled representations that faithfully reveal the intrinsic features and superficial variations without access to the class label. At its core is the distillation of domain-invariant semantic features, which cannot be distinguished by domain classifier, while filtering out the domain-specific variations (for example, color schemes and texture patterns) that are unstable and redundant. Notably, DisMAE co-trains the asymmetric dual-branch architecture with semantic and lightweight variation encoders, offering dynamic data manipulation and representation level augmentation capabilities. Extensive experiments on four benchmark datasets (i.e., DomainNet, PACS, VLCS, Colored MNIST) with both DG and UDG tasks demonstrate that DisMAE can achieve competitive OOD performance compared with the state-of-the-art DG and UDG baselines, which shed light on potential research line in improving the generalization ability with large-scale unlabeled data.

cs.CV↗

arXiv2024

ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text Pretraining

Molecule-text modeling, which aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge, is an emerging research direction. Beyond single molecules, studying reaction-text modeling holds promise for helping the synthesis of new materials and drugs. However, previous works mostly neglect reaction-text modeling: they primarily focus on modeling individual molecule-text pairs or learning chemical reactions without texts in context. Additionally, one key task of reaction-text modeling -- experimental procedure prediction -- is less explored due to the absence of an open-source dataset. The task is to predict step-by-step actions of conducting chemical experiments and is crucial to automating chemical synthesis. To resolve the challenges above, we propose a new pretraining method, ReactXT, for reaction-text modeling, and a new dataset, OpenExp, for experimental procedure prediction. Specifically, ReactXT features three types of input contexts to incrementally pretrain LMs. Each of the three input contexts corresponds to a pretraining task to improve the text-based understanding of either reactions or single molecules. ReactXT demonstrates consistent improvements in experimental procedure prediction and molecule captioning and offers competitive results in retrosynthesis. Our code is available at https://github.com/syr-cn/ReactXT.

q-bio.QM↗

arXiv2024

ProtT3: Protein-to-Text Generation for Text-based Protein Understanding

Language Models (LMs) excel in understanding textual descriptions of proteins, as evident in biomedical question-answering tasks. However, their capability falters with raw protein data, such as amino acid sequences, due to a deficit in pretraining on such data. Conversely, Protein Language Models (PLMs) can understand and convert protein data into high-quality representations, but struggle to process texts. To address their limitations, we introduce ProtT3, a framework for Protein-to-Text Generation for Text-based Protein Understanding. ProtT3 empowers an LM to understand protein sequences of amino acids by incorporating a PLM as its protein understanding module, enabling effective protein-to-text generation. This collaboration between PLM and LM is facilitated by a cross-modal projector (i.e., Q-Former) that bridges the modality gap between the PLM's representation space and the LM's input space. Unlike previous studies focusing on protein property prediction and protein-text retrieval, we delve into the largely unexplored field of protein-to-text generation. To facilitate comprehensive benchmarks and promote future research, we establish quantitative evaluations for protein-text modeling tasks, including protein captioning, protein question-answering, and protein-text retrieval. Our experiments show that ProtT3 substantially surpasses current baselines, with ablation studies further highlighting the efficacy of its core components. Our code is available at https://github.com/acharkq/ProtT3.

q-bio.QM↗

arXiv2024

General Debiasing for Graph-based Collaborative Filtering via Adversarial Graph Dropout

Graph neural networks (GNNs) have shown impressive performance in recommender systems, particularly in collaborative filtering (CF). The key lies in aggregating neighborhood information on a user-item interaction graph to enhance user/item representations. However, we have discovered that this aggregation mechanism comes with a drawback, which amplifies biases present in the interaction graph. For instance, a user's interactions with items can be driven by both unbiased true interest and various biased factors like item popularity or exposure. However, the current aggregation approach combines all information, both biased and unbiased, leading to biased representation learning. Consequently, graph-based recommenders can learn distorted views of users/items, hindering the modeling of their true preferences and generalizations. To address this issue, we introduce a novel framework called Adversarial Graph Dropout (AdvDrop). It differentiates between unbiased and biased interactions, enabling unbiased representation learning. For each user/item, AdvDrop employs adversarial learning to split the neighborhood into two views: one with bias-mitigated interactions and the other with bias-aware interactions. After view-specific aggregation, AdvDrop ensures that the bias-mitigated and bias-aware representations remain invariant, shielding them from the influence of bias. We validate AdvDrop's effectiveness on five public datasets that cover both general and specific biases, demonstrating significant improvements. Furthermore, our method exhibits meaningful separation of subgraphs and achieves unbiased representations for graph-based CF models, as revealed by in-depth analysis. Our code is publicly available at https://github.com/Arthurma71/AdvDrop.

cs.IR↗

arXiv2024

Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three key components: (1) graph tokenizer, which breaks a molecular graph into smaller fragments (i.e., subgraphs) and converts them into tokens; (2) graph masking, which corrupts the graph with masks; (3) graph autoencoder, which first applies an encoder on the masked graph to generate the representations, and then employs a decoder on the representations to recover the tokens of the original graph. However, the previous MGM studies focus extensively on graph masking and encoder, while there is limited understanding of tokenizer and decoder. To bridge the gap, we first summarize popular molecule tokenizers at the granularity of node, edge, motif, and Graph Neural Networks (GNNs), and then examine their roles as the MGM's reconstruction targets. Further, we explore the potential of adopting an expressive decoder in MGM. Our results show that a subgraph-level tokenizer and a sufficiently expressive decoder with remask decoding have a large impact on the encoder's representation learning. Finally, we propose a novel MGM method SimSGT, featuring a Simple GNN-based Tokenizer (SGT) and an effective decoding strategy. We empirically validate that our method outperforms the existing molecule self-supervised learning methods. Our codes and checkpoints are available at https://github.com/syr-cn/SimSGT.

cs.LG↗

arXiv2023

Duplex Hecke Algebras of type B

As a sequel to [14], in this article we first introduce a so-called duplex Hecke algebras of type B which is a Q(q)-algebra associated with the Weyl group W (B) of type B, and symmetric groups S_l for l = 0, 1, . . . ,m, satisfying some Hecke relations. This notion originates from the degenerate duplex Hecke algebra arising from the course of study of a kind of Schur-Weyl duality of Levi-type, extending the duplex Hecke algebra of type A arising from the related q-Schur-Weyl duality of Levi-type. A duplex Hecke algebra of type B admits natural representations on certain tensor spaces. We then establish a Levi-type q-Schur-Weyl duality of type B, which reveals the double centralizer property between such duplex Hecke algebras and ıquantum groups studied by Bao-Wang in [1].

math.RT↗

arXiv2023

Discovering Dynamic Causal Space for DAG Structure Learning

Discovering causal structure from purely observational data (i.e., causal discovery), aiming to identify causal relationships among variables, is a fundamental task in machine learning. The recent invention of differentiable score-based DAG learners is a crucial enabler, which reframes the combinatorial optimization problem into a differentiable optimization with a DAG constraint over directed graph space. Despite their great success, these cutting-edge DAG learners incorporate DAG-ness independent score functions to evaluate the directed graph candidates, lacking in considering graph structure. As a result, measuring the data fitness alone regardless of DAG-ness inevitably leads to discovering suboptimal DAGs and model vulnerabilities. Towards this end, we propose a dynamic causal space for DAG structure learning, coined CASPER, that integrates the graph structure into the score function as a new measure in the causal space to faithfully reflect the causal distance between estimated and ground truth DAG. CASPER revises the learning process as well as enhances the DAG structure learning via adaptive attention to DAG-ness. Grounded by empirical visualization, CASPER, as a space, satisfies a series of desired properties, such as structure awareness and noise robustness. Extensive experiments on both synthetic and real-world datasets clearly validate the superiority of our CASPER over the state-of-the-art causal discovery methods in terms of accuracy and robustness.

cs.LG↗