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Tyler Derr

Publications and source records attributed to Tyler Derr.

At least 19 recordsLinked to original sources
arXiv2026

AutoKD: Autonomous Knowledge Discovery

Scientific discovery in data-rich domains is currently constrained by human bandwidth: the growth in the volume and complexity of real-world data far outpaces the rate at which researchers can read, reason, and synthesize. Recent LLM-based multi-agent systems have begun to automate portions of the research cycle, but they target hypothesis generation in settings where validation cannot itself be automated, and each run is one-shot, with no mechanism for findings to accumulate or steer subsequent inquiry. This paper introduces AutoKD, a multi-agent framework for autonomous knowledge discovery that is both computational and cumulative, allowing validated findings to persist and inform subsequent inquiry. Six coordinated LLM agents collaborate in an open-ended discovery loop, where accepted findings are stored in a persistent insight graph that serves as both long-term memory and an exploration-steering mechanism. We evaluate AutoKD on three diverse datasets from two perspectives: Open-ended Quality against published findings, and Conditioned Quality via literature-derived queries. Across both evaluation perspectives, AutoKD covers known findings and surfaces substantive discoveries that complement human-driven research. Our code is available at https://github.com/GeQinwen/AutoKD.

cs.AI↗
arXiv2026

RAD: Rule-Augmented Relational Anomaly Detection

Anomaly detection is often applied to data stored in relational databases, yet most existing methods require flattening multiple tables into a single feature matrix. This flattening can obscure entity identity, schema structure, and multi-hop dependencies, limiting the detection of anomalies that depend on relational context rather than isolated feature values. Beyond preserving relational structure, relational anomaly detection raises an additional challenge: how to incorporate symbolic behavioral evidence into learned relational representations. To address these challenges, we study relational anomaly detection, where the goal is to identify anomalous entities or events in a multi-table database. We propose RAD, a rule-augmented relational anomaly detector that combines heterogeneous graph representation learning with refined symbolic rule signals. RAD derives candidate rules from random-forest paths over flattened summaries of the entities or events being scored, refines them into compact interpretable predicates, injects the resulting rule features into the graph model, and learns anomaly scores using reconstruction-based and pairwise-ranking supervision. To evaluate this setting, we introduce a relational anomaly detection benchmark spanning three settings: LANL cybersecurity event detection and two unexpected user-churn anomaly tasks derived from Amazon and H&M relational databases. Experiments show that RAD improves anomaly ranking over flattened tabular detectors and relational baselines under natural class imbalance, achieving the best average rank on AUROC and AUPRC across the benchmark. Ablations show that direct rule injection and ranking-based supervision are key contributors to performance, while edge reconstruction is not uniformly beneficial. Our code and data are available at: https://github.com/noahd15/RAD_RelationalAnomalyDetection.

cs.LG↗
arXiv2026

Unifying Graph Neural Networks Through a Common Layer Equation

Graph neural networks are commonly described through family-specific equations whose notation obscures shared computations and structural differences. We introduce a common layer equation that represents covered architectures through seven components: an update domain, channel set, propagation bank, per-channel message maps, channel-fusion operator, ego/residual map, and update map. The central factorization separates where information moves, encoded by the propagation bank, from what moves, encoded by the message maps. Function-valued fillings extend the same equation across local message passing, attention, spectral filtering, global communication, relation-specific channels, higher-order domains, and geometric messages. We make this unification explicit and checkable through worked reductions of canonical layers and component assignments spanning seven nonexclusive architectural families. A fixed slot discipline assigns operations by computational role and defines the framework's coverage boundary. The decomposition also yields component-level theoretical insights: under endpoint-local messages and node-local updates, operator support bounds one-layer dependencies, and one-layer global mixing requires a full effective operator row under the stated hypotheses. The resulting framework organizes more than 200 architectures in a common design space, enables component-wise comparison and generation of structurally consistent architectures, and connects propagation choices to oversmoothing, oversquashing, heterophily, and expressivity. It further exposes the empirical inverse problem of mapping measurable graph and task properties to validated component choices.

cs.LG↗
arXiv2026

Personalized Auto-Research: Towards a True AI Co-Scientist

AI co-scientists that generate hypotheses, retrieve related work, design experiments, execute code, and draft full papers are beginning to change how research is carried out. Despite this rapid progress, state-of-the-art systems remain researcher-agnostic: given a research goal, they optimize novelty, validity, or reviewer score while ignoring the individual scientist who will use the output. This overlooks a fundamental fact about research, namely, that what counts as novel, valuable, or feasible depends on the researcher, including their prior work, methodological repertoire, and the collaborators and communities in which they are embedded. In this work, we introduce the problem of personalized auto-research, which conditions every stage of the research process on a representation of the individual researcher. We argue that personalization is not a convenience layer, but rather the fundamental property that allows an AI system to serve as a genuine co-scientist rather than a generic instrument. To address this problem, we propose a general and flexible framework that threads a graph-grounded researcher context through retrieval, hypothesis search, experimentation, writing, and review. The framework consists of three fundamental components: (i) graph-grounded researcher representations, (ii) personalization across the full research pipeline, and (iii) evaluation grounded in the individual. Notably, we highlight a one-size-fits-all failure mode where distinct researchers issuing the same goal receive essentially the same research, erasing the tacit knowledge through which novel ideas arise. Finally, we discuss fundamental open problems and challenges.

cs.AI↗
arXiv2026

Adverse Online Social Interactions: A Multi-Level Evolutionary Analysis of Local Patterns, Diffusion, and Community Disruption

Adverse social interactions (ASIs) can shape how online communities evolve over the time. However, structural-based ASIs and content-based ASIs are often studied separately and at a single analytical scale. In this study, we propose a multi-level framework to examine how adverse social interactions appear locally, spread through neighborhoods, and disrupt cohesive subgroups. Using large-scale datasets from X and Bluesky, we analyze friend and foe patterns at the micro level, peer influence through matched triadic designs at the meso level, and subgroup disruption against random and recommendation-based references at the macro level. Our results show that structural disconnection and toxic communication provide complementary signals: structural negativity more persistently marks subgroup disruption, while toxic communication captures broader conflict both within and across communities. These findings suggest that adverse social interactions are multi-scale processes that influence how online communities form, fracture, and evolve. Our source code is publicly available at https://github.com/XueqiC/Adverse-Social-Interactions.

cs.SI↗
arXiv2026

ReAD: Reinforcement-Guided Capability Distillation for Large Language Models

Capability distillation applies knowledge distillation to selected model capabilities, aiming to compress a large language model (LLM) into a smaller one while preserving the abilities needed for a downstream task. However, most existing methods treat capabilities as independent training targets and overlook how improving one capability can reshape the student's broader capability profile, especially when multiple abilities jointly determine task success. We study capability distillation under a fixed token budget and identify two consistent patterns: distillation induces systematic, budget-dependent cross-capability transfer, and additional budget often brings limited task-relevant gains while sometimes degrading other useful abilities. Building on these insights, we propose ReAD, a Reinforcement-guided cApability Distillation framework that explicitly accounts for capability interdependence. ReAD first infers task-essential capabilities, then generates capability-targeted supervision on the fly, and finally uses an uncertainty-aware contextual bandit to adaptively allocate the distillation budget based on expected utility gains. Extensive experiments show that ReAD improves downstream utility under the same token budget while reducing harmful spillover and wasted distillation effort compared to strong baselines. Our code is publicly available at https://github.com/LabRAI/ReAD.

cs.CL↗
arXiv2026

SOMA: Efficient Multi-turn LLM Serving via Small Language Model

Large Language Models (LLMs) are increasingly deployed in multi-turn dialogue settings where preserving conversational context across turns is essential. A standard serving practice concatenates the full dialogue history at every turn, which reliably maintains coherence but incurs substantial cost in latency, memory, and API expenditure, especially when queries are routed to large proprietary models. Existing approaches often struggle to balance the trade-off between response quality and efficiency. We propose a framework that exploits the early turns of a session to estimate a local response manifold and then adapt a smaller surrogate model to this local region for the remainder of the conversation. Concretely, we learn soft prompts that maximize semantic divergence between the large and surrogate small language models' responses to surface least-aligned local directions, stabilize training with anti-degeneration control, and distill the mined cases into localized LoRA fine-tuning so the surrogate runs without prompts at inference. A simple gate enables a one-time switch with rollback on drift. We further provide a theoretical analysis for key components in SOMA. Extensive experiments show the effectiveness of SOMA. The source code is provided at: https://github.com/LabRAI/SOMA.

cs.CL↗
arXiv2026

Sparse Personalized Text Generation with Multi-Trajectory Reasoning

As Large Language Models (LLMs) advance, personalization has become a key mechanism for tailoring outputs to individual user needs. However, most existing methods rely heavily on dense interaction histories, making them ineffective in cold-start scenarios where such data is sparse or unavailable. While external signals (e.g., content of similar users) can offer a potential remedy, leveraging them effectively remains challenging: raw context is often noisy, and existing methods struggle to reason over heterogeneous data sources. To address these issues, we introduce PAT (Personalization with Aligned Trajectories), a reasoning framework for cold-start LLM personalization. PAT first retrieves information along two complementary trajectories: writing-style cues from stylistically similar users and topic-specific context from preference-aligned users. It then employs a reinforcement learning-based, iterative dual-reasoning mechanism that enables the LLM to jointly refine and integrate these signals. Experimental results across real-world personalization benchmarks show that PAT consistently improves generation quality and alignment under sparse-data conditions, establishing a strong solution to the cold-start personalization problem.

cs.AI↗
arXiv2026

A Survey on LLM-based Conversational User Simulation

User simulation has long played a vital role in computer science due to its potential to support a wide range of applications. Language, as the primary medium of human communication, forms the foundation of social interaction and behavior. Consequently, simulating conversational behavior has become a key area of study. Recent advancements in large language models (LLMs) have significantly catalyzed progress in this domain by enabling high-fidelity generation of synthetic user conversation. In this paper, we survey recent advancements in LLM-based conversational user simulation. We introduce a novel taxonomy covering user granularity and simulation objectives. Additionally, we systematically analyze core techniques and evaluation methodologies. We aim to keep the research community informed of the latest advancements in conversational user simulation and to further facilitate future research by identifying open challenges and organizing existing work under a unified framework.

cs.CL↗
arXiv2026

Assessing Capabilities of Large Language Models in Social Media Analytics: A Multi-task Quest

In this study, we present the first comprehensive evaluation of modern LLMs - including GPT-4, GPT-4o, GPT-3.5-Turbo, Gemini 1.5 Pro, DeepSeek-V3, Llama 3.2, and BERT - across three core social media analytics tasks on a Twitter (X) dataset: (I) Social Media Authorship Verification, (II) Social Media Post Generation, and (III) User Attribute Inference. For the authorship verification, we introduce a systematic sampling framework over diverse user and post selection strategies and evaluate generalization on newly collected tweets from January 2024 onward to mitigate "seen-data" bias. For post generation, we assess the ability of LLMs to produce authentic, user-like content using comprehensive evaluation metrics. Bridging Tasks I and II, we conduct a user study to measure real users' perceptions of LLM-generated posts conditioned on their own writing. For attribute inference, we annotate occupations and interests using two standardized taxonomies (IAB Tech Lab 2023 and 2018 U.S. SOC) and benchmark LLMs against existing baselines. Overall, our unified evaluation provides new insights and establishes reproducible benchmarks for LLM-driven social media analytics. The code and data are provided in the supplementary material and will also be made publicly available upon publication.

cs.CL↗
arXiv2026

Graph2Video: Leveraging Video Models to Model Dynamic Graph Evolution

Dynamic graphs are common in real-world systems such as social media, recommender systems, and traffic networks. Existing dynamic graph models for link prediction often fall short in capturing the complexity of temporal evolution. They tend to overlook fine-grained variations in temporal interaction order, struggle with dependencies that span long time horizons, and offer limited capability to model pair-specific relational dynamics. To address these challenges, we propose \textbf{Graph2Video}, a video-inspired framework that views the temporal neighborhood of a target link as a sequence of "graph frames". By stacking temporally ordered subgraph frames into a "graph video", Graph2Video leverages the inductive biases of video foundation models to capture both fine-grained local variations and long-range temporal dynamics. It generates a link-level embedding that serves as a lightweight and plug-and-play link-centric memory unit. This embedding integrates seamlessly into existing dynamic graph encoders, effectively addressing the limitations of prior approaches. Extensive experiments on benchmark datasets show that Graph2Video outperforms state-of-the-art baselines on the link prediction task in most cases. The results highlight the potential of borrowing spatio-temporal modeling techniques from computer vision as a promising and effective approach for advancing dynamic graph learning.

cs.CV↗
arXiv2026

Reasoning-Based Personalized Generation for Users with Sparse Data

Large Language Model (LLM) personalization holds great promise for tailoring responses by leveraging personal context and history. However, real-world users usually possess sparse interaction histories with limited personal context, such as cold-start users in social platforms and newly registered customers in online E-commerce platforms, compromising the LLM-based personalized generation. To address this challenge, we introduce GraSPer (Graph-based Sparse Personalized Reasoning), a novel framework for enhancing personalized text generation under sparse context. GraSPer first augments user context by predicting items that the user would likely interact with in the future. With reasoning alignment, it then generates texts for these interactions to enrich the augmented context. In the end, it generates personalized outputs conditioned on both the real and synthetic histories, ensuring alignment with user style and preferences. Extensive experiments on three benchmark personalized generation datasets show that GraSPer achieves significant performance gain, substantially improving personalization in sparse user context settings.

cs.CL↗
arXiv2025

Ensemble Privacy Defense for Knowledge-Intensive LLMs against Membership Inference Attacks

Retrieval-Augmented Generation (RAG) and Supervised Finetuning (SFT) have become the predominant paradigms for equipping Large Language Models (LLMs) with external knowledge for diverse, knowledge-intensive tasks. However, while such knowledge injection improves performance, it also exposes new attack surfaces. Membership Inference Attacks (MIAs), which aim to determine whether a given data sample was included in a model's training set, pose serious threats to privacy and trust in sensitive domains. To this end, we first systematically evaluate the vulnerability of RAG- and SFT-based LLMs to various MIAs. Then, to address the privacy risk, we further introduce a novel, model-agnostic defense framework, Ensemble Privacy Defense (EPD), which aggregates and evaluates the outputs of a knowledge-injected LLM, a base LLM, and a dedicated judge model to enhance resistance against MIAs. Comprehensive experiments show that, on average, EPD reduces MIA success by up to 27.8\% for SFT and 526.3\% for RAG compared to inference-time baseline, while maintaining answer quality.

cs.CR↗
arXiv2025

Scaffold-Aware Generative Augmentation and Reranking for Enhanced Virtual Screening

Ligand-based virtual screening (VS) is an essential step in drug discovery that evaluates large chemical libraries to identify compounds that potentially bind to a therapeutic target. However, VS faces three major challenges: class imbalance due to the low active rate, structural imbalance among active molecules where certain scaffolds dominate, and the need to identify structurally diverse active compounds for novel drug development. We introduce ScaffAug, a scaffold-aware VS framework that addresses these challenges through three modules. The augmentation module first generates synthetic data conditioned on scaffolds of actual hits using generative models, specifically a graph diffusion model. This helps mitigate the class imbalance and furthermore the structural imbalance, due to our proposed scaffold-aware sampling algorithm, designed to produce more samples for active molecules with underrepresented scaffolds. A model-agnostic self-training module is then used to safely integrate the generated synthetic data from our augmentation module with the original labeled data. Lastly, we introduce a reranking module that improves VS by enhancing scaffold diversity in the top recommended set of molecules, while still maintaining and even enhancing the overall general performance of identifying novel, active compounds. We conduct comprehensive computational experiments across five target classes, comparing ScaffAug against existing baseline methods by reporting the performance of multiple evaluation metrics and performing ablation studies on ScaffAug. Overall, this work introduces novel perspectives on effectively enhancing VS by leveraging generative augmentations, reranking, and general scaffold-awareness.

cs.LG↗
arXiv2025

Inverse-LLaVA: Rethinking Multimodal Alignment via Text-to-Vision Mapping

Traditional multimodal learning approaches rely on alignment pre-training to bridge vision and language modalities, typically by projecting visual features into discrete text token spaces using large-scale image--text data. We revisit this design choice and propose Inverse-LLaVA, a multimodal architecture that inverts the conventional mapping direction by projecting text embeddings into continuous visual representation space and performing fusion within intermediate transformer layers. This representation-first design enables effective multimodal reasoning without relying on an explicit alignment pretraining stage and significantly reduces dependence on large alignment datasets. Across nine multimodal benchmarks, Inverse-LLaVA demonstrates strong learning efficiency under reduced supervision, achieving substantial gains on reasoning-intensive tasks while exhibiting selective performance drops on perception tasks that depend on explicit visual--text grounding. Our analysis indicates that these trade-offs primarily reflect differences in supervision regime rather than architectural limitations. Together, these results show that alignment pretraining is not strictly required for effective multimodal reasoning and highlight the importance of preserving continuous modality representations, opening a new direction for multimodal architecture design that decouples representation structure from supervision regime for more flexible and efficient multimodal systems.

cs.CV↗
arXiv2025

Defining and Benchmarking a Data-Centric Design Space for Brain Graph Construction

The construction of brain graphs from functional Magnetic Resonance Imaging (fMRI) data plays a crucial role in enabling graph machine learning for neuroimaging. However, current practices often rely on rigid pipelines that overlook critical data-centric choices in how brain graphs are constructed. In this work, we adopt a Data-Centric AI perspective and systematically define and benchmark a data-centric design space for brain graph construction, constrasting with primarily model-centric prior work. We organize this design space into three stages: temporal signal processing, topology extraction, and graph featurization. Our contributions lie less in novel components and more in evaluating how combinations of existing and modified techniques influence downstream performance. Specifically, we study high-amplitude BOLD signal filtering, sparsification and unification strategies for connectivity, alternative correlation metrics, and multi-view node and edge features, such as incorporating lagged dynamics. Experiments on the HCP1200 and ABIDE datasets show that thoughtful data-centric configurations consistently improve classification accuracy over standard pipelines. These findings highlight the critical role of upstream data decisions and underscore the importance of systematically exploring the data-centric design space for graph-based neuroimaging. Our code is available at https://github.com/GeQinwen/DataCentricBrainGraphs.

cs.LG↗
arXiv2025

Quantifying the Generalization Gap: A New Benchmark for Out-of-Distribution Graph-Based Android Malware Classification

While graph-based Android malware classifiers achieve over 94% accuracy on standard benchmarks, they exhibit a significant generalization gap under distribution shift, suffering up to 45% performance degradation when encountering unseen malware variants from known families. This work systematically investigates this critical yet overlooked challenge for real-world deployment by introducing a benchmarking suite designed to simulate two prevalent scenarios: MalNet-Tiny-Common for covariate shift, and MalNet-Tiny-Distinct for domain shift. Furthermore, we identify an inherent limitation in existing benchmarks where the inputs are structure-only function call graphs, which fails to capture the latent semantic patterns necessary for robust generalization. To verify this, we construct a semantic enrichment framework that augments the original topology with function-level attributes, including lightweight metadata and LLM-based code embeddings. By providing this expanded feature set, we aim to equip future research with richer behavioral information to facilitate the development of more sophisticated detection techniques. Empirical evaluations confirm the effectiveness of our data-centric methodology, with which classification performs better under distribution shift compared to model-based approaches, and consistently further enhances robustness when used in conjunction. We release our precomputed datasets, along with an extensible implementation of our comprehensive pipeline, to lay the groundwork for building resilient malware detection systems for evolving threat environments.

cs.CR↗
arXiv2025

Towards Bridging Review Sparsity in Recommendation with Textual Edge Graph Representation

Textual reviews enrich recommender systems with fine-grained preference signals and enhanced explainability. However, in real-world scenarios, users rarely leave reviews, resulting in severe sparsity that undermines the effectiveness of existing models. A natural solution is to impute or generate missing reviews to enrich the data. However, conventional imputation techniques -- such as matrix completion and LLM-based augmentation -- either lose contextualized semantics by embedding texts into vectors, or overlook structural dependencies among user-item interactions. To address these shortcomings, we propose TWISTER (ToWards Imputation on Sparsity with Textual Edge Graph Representation), a unified framework that imputes missing reviews by jointly modeling semantic and structural signals. Specifically, we represent user-item interactions as a Textual-Edge Graph (TEG), treating reviews as edge attributes. To capture relational context, we construct line-graph views and employ a large language model as a graph-aware aggregator. For each interaction lacking a textual review, our model aggregates the neighborhood's natural-language representations to generate a coherent and personalized review. Experiments on the Amazon and Goodreads datasets show that TWISTER consistently outperforms traditional numeric, graph-based, and LLM baselines, delivering higher-quality imputed reviews and, more importantly, enhanced recommendation performance. In summary, TWISTER generates reviews that are more helpful, authentic, and specific, while smoothing structural signals for improved recommendations.

cs.IR↗