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Yihe Zhang

Publications and source records attributed to Yihe Zhang.

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MARS: A Monte Carlo Tree Search-based Adaptive and Responsive Scheduler

Modern High Performance Computing systems depend on static heuristics and manual administration for job scheduling and reservation management. Deep Reinforcement Learning (DRL) has shown promising scheduling performance but requires historical training data and fixes the optimization goal at training time, forcing operators to retrain whenever priorities shift. We introduce MARS (Monte Carlo Tree Search-based Adaptive and Responsive Scheduler), a training-free HPC scheduler whose optimization goal is configurable through a reward function rather than baked into a learned model. MARS uses a lightweight discrete-event simulator to explore the future consequences of scheduling decisions within a strict time budget, adapting to the configured reward at each scheduling cycle. We evaluate MARS on year-long production workloads from two systems at Argonne Leadership Computing Facility -- 4,360-node Theta and 560-node Polaris---under two reward functions: wait-time minimization (MARS-CW) and utilization maximization (MARS-CU). Unlike DRL and heuristics, which only react to the current queue or wait for backfill to find holes, MARS exploits look-ahead to proactively drain the system and plan around future reservations, packing the system to avoid the fragmentation and utilization drop that typically precede reservation windows. MARS-CW reduces tail wait time by 64% on Theta and 43% on Polaris over the production WFP heuristic, while MARS-CU recovers utilization in the 48 hours leading into maintenance, demonstrating that MARS can target either objective via reward reconfiguration.

cs.DC

When Child Inherits: Modeling and Exploiting Subagent Spawn in Multi-Agent Networks

Since the official release of ChatGPT in 2022, large language models (LLMs) have rapidly evolved from chatbot-style interfaces into agentic systems that can delegate work through tools and newly spawned subagents. While these capabilities improve automation and scalability, they also pose new security risks in multi-agent networks. Existing research has studied how individual LLM-based agents can be compromised through prompt injection, jailbreaking, poisoned retrieval data, or malicious extensions. Less is known about what happens after one agent is compromised inside a multi-agent network. In particular, inherited memory from parent agents can carry malicious instructions, outdated states, or unintended behavioral rules into newly created subagents, allowing a local compromise to spread across agent boundaries. In this paper, we model contemporary multi-agent networks through the lens of subagent inheritance. Our analysis shows that current frameworks can violate trust boundaries through insecure memory inheritance, weak resource control, stale post-spawn state, and improper termination authority. We demonstrate these risks in real agent frameworks and propose defenses based on explicit security invariants. Our findings show that inheritance is not merely an implementation detail, but a central component influencing the security of multi-agent systems.

cs.CR

MHDash: An Online Platform for Benchmarking Mental Health-Aware AI Assistants

Large language models (LLMs) are increasingly applied in mental health support systems, where reliable recognition of high-risk states such as suicidal ideation and self-harm is safety-critical. However, existing evaluations primarily rely on aggregate performance metrics, which often obscure risk-specific failure modes and provide limited insight into model behavior in realistic, multi-turn interactions. We present MHDash, an open-source platform designed to support the development, evaluation, and auditing of AI systems for mental health applications. MHDash integrates data collection, structured annotation, multi-turn dialogue generation, and baseline evaluation into a unified pipeline. The platform supports annotations across multiple dimensions, including Concern Type, Risk Level, and Dialogue Intent, enabling fine-grained and risk-aware analysis. Our results reveal several key findings: (i) simple baselines and advanced LLM APIs exhibit comparable overall accuracy yet diverge significantly on high-risk cases; (ii) some LLMs maintain consistent ordinal severity ranking while failing absolute risk classification, whereas others achieve reasonable aggregate scores but suffer from high false negative rates on severe categories; and (iii) performance gaps are amplified in multi-turn dialogues, where risk signals emerge gradually. These observations demonstrate that conventional benchmarks are insufficient for safety-critical mental health settings. By releasing MHDash as an open platform, we aim to promote reproducible research, transparent evaluation, and safety-aligned development of AI systems for mental health support.

cs.AI

A Real-Time Digital Twin for Adaptive Scheduling

High-performance computing (HPC) workloads are becoming increasingly diverse, exhibiting wide variability in job characteristics, yet cluster scheduling has long relied on static, heuristic-based policies. In this work we present SchedTwin, a real-time digital twin designed to adaptively guide scheduling decisions using predictive simulation. SchedTwin periodically ingests runtime events from the physical scheduler, performs rapid what-if evaluations of multiple policies using a high-fidelity discrete-event simulator, and dynamically selects the one satisfying the administrator configured optimization goal. We implement SchedTwin as an open-source software and integrate it with the production PBS scheduler. Preliminary results show that SchedTwin consistently outperforms widely used static scheduling policies, while maintaining low overhead (a few seconds per scheduling cycle). These results demonstrate that real-time digital twins offer a practical and effective path toward adaptive HPC scheduling.

cs.DC

Ranking Before Serving: Low-Latency LLM Serving via Pairwise Learning-to-Rank

Efficient scheduling of large language model (LLM) inference tasks is critical for achieving low latency and high throughput, a challenge that is becoming increasingly acute with the rise of reasoning-capable LLMs whose generation lengths are highly variable. Traditional strategies like First Come, First-Serve (FCFS) often suffer from Head-of-Line (HOL) blocking, where long-running tasks delay shorter ones queued behind them. In this paper, we introduce PARS, a prompt-aware LLM task scheduler that mitigates HOL blocking by approximating shortest-job-first (SJF) scheduling through pairwise ranking with a margin ranking loss. PARS effectively predicts response-length-based task ordering directly from prompts, thereby optimizing scheduling decisions with minimal overhead. In addition, it integrates seamlessly with vLLM, a state-of-the-art LLM serving system, for the research community. Extensive experiments across multiple LLM models and real-world inference use cases, including chat, math, and code generation, demonstrate that PARS significantly reduces latency by up to 15.7x compared to the vLLM default scheduler. Cross-model evaluations demonstrate that our design generalizes effectively, allowing effective scheduling across diverse LLMs without requiring model-specific retraining.

cs.LG

Language-Native Materials Processing Design by Lightly Structured Text Database and Reasoning Large Language Model

Materials synthesis procedures are predominantly documented as narrative text in papers, protocols, and laboratory records, placing them beyond the reach of conventional data-driven optimization frameworks. This language-native character poses a particular challenge for complex, multistage processes such as the preparation of boron nitride nanosheets (BNNS), where outcomes depend on path-dependent choices in exfoliation, functionalization, and functionalization. Here, we recast synthesis planning of the materials as a text reasoning problem enabled by a lightly structured knowledge substrate that preserves the procedural logic and causal contexts while exposing computable elements for retrieval. Built on this representation, our framework combines semantic matching, lexical search, and parameter-aware filtering to support retrieval-augmented generation with more accurate and better-grounded synthesis guidance. We further introduce experience-augmented reasoning, in which iteratively refined text guides distilled from multi-source narratives support hypothesis generation, failure diagnosis, and protocol revision. We validated the framework in the targeted exfoliation of BNNS, a synthesis problem governed by multivariate constraints and limited transferability of literature protocols across laboratory settings. By integrating dispersed literature evidence with experimentally observed failure modes, the system converged within only three iterative rounds on a high-performing protocol that yielded high-quality ultrathin nanosheets meeting the target specifications, substantially shortening what is often a prolonged cycle of expert-led trial-and-error. By enabling language-native reasoning over procedural knowledge, this framework moves AI beyond literature assistance toward active synthesis planning, adaptation and acceleration in complex materials workflows.

cs.DB

Deep Learning Aided Software Vulnerability Detection: A Survey

The pervasive nature of software vulnerabilities has emerged as a primary factor for the surge in cyberattacks. Traditional vulnerability detection methods, including rule-based, signature-based, manual review, static, and dynamic analysis, often exhibit limitations when encountering increasingly complex systems and a fast-evolving attack landscape. Deep learning (DL) methods excel at automatically learning and identifying complex patterns in code, enabling more effective detection of emerging vulnerabilities. This survey analyzes 34 relevant studies from high-impact journals and conferences between 2017 and 2024. This survey introduces the conceptual framework Vulnerability Detection Lifecycle for the first time to systematically analyze and compare various DL-based vulnerability detection methods and unify them into the same analysis perspective. The framework includes six phases: (1) Dataset Construction, (2) Vulnerability Granularity Definition, (3) Code Representation, (4) Model Design, (5) Model Performance Evaluation, and (6) Real-world Project Implementation. For each phase of the framework, we identify and explore key issues through in-depth analysis of existing research while also highlighting challenges that remain inadequately addressed. This survey provides guidelines for future software vulnerability detection, facilitating further implementation of deep learning techniques applications in this field.

cs.SE

Regional Weather Variable Predictions by Machine Learning with Near-Surface Observational and Atmospheric Numerical Data

Accurate and timely regional weather prediction is vital for sectors dependent on weather-related decisions. Traditional prediction methods, based on atmospheric equations, often struggle with coarse temporal resolutions and inaccuracies. This paper presents a novel machine learning (ML) model, called MiMa (short for Micro-Macro), that integrates both near-surface observational data from Kentucky Mesonet stations (collected every five minutes, known as Micro data) and hourly atmospheric numerical outputs (termed as Macro data) for fine-resolution weather forecasting. The MiMa model employs an encoder-decoder transformer structure, with two encoders for processing multivariate data from both datasets and a decoder for forecasting weather variables over short time horizons. Each instance of the MiMa model, called a modelet, predicts the values of a specific weather parameter at an individual Mesonet station. The approach is extended with Re-MiMa modelets, which are designed to predict weather variables at ungauged locations by training on multivariate data from a few representative stations in a region, tagged with their elevations. Re-MiMa (short for Regional-MiMa) can provide highly accurate predictions across an entire region, even in areas without observational stations. Experimental results show that MiMa significantly outperforms current models, with Re-MiMa offering precise short-term forecasts for ungauged locations, marking a significant advancement in weather forecasting accuracy and applicability.

physics.ao-ph

Knowledge Bases in Support of Large Language Models for Processing Web News

Large Language Models (LLMs) have received considerable interest in wide applications lately. During pre-training via massive datasets, such a model implicitly memorizes the factual knowledge of trained datasets in its hidden parameters. However, knowledge held implicitly in parameters often makes its use by downstream applications ineffective due to the lack of common-sense reasoning. In this article, we introduce a general framework that permits to build knowledge bases with an aid of LLMs, tailored for processing Web news. The framework applies a rule-based News Information Extractor (NewsIE) to news items for extracting their relational tuples, referred to as knowledge bases, which are then graph-convoluted with the implicit knowledge facts of news items obtained by LLMs, for their classification. It involves two lightweight components: 1) NewsIE: for extracting the structural information of every news item, in the form of relational tuples; 2) BERTGraph: for graph convoluting the implicit knowledge facts with relational tuples extracted by NewsIE. We have evaluated our framework under different news-related datasets for news category classification, with promising experimental results.

cs.CL

An Open and Large-Scale Dataset for Multi-Modal Climate Change-aware Crop Yield Predictions

Precise crop yield predictions are of national importance for ensuring food security and sustainable agricultural practices. While AI-for-science approaches have exhibited promising achievements in solving many scientific problems such as drug discovery, precipitation nowcasting, etc., the development of deep learning models for predicting crop yields is constantly hindered by the lack of an open and large-scale deep learning-ready dataset with multiple modalities to accommodate sufficient information. To remedy this, we introduce the CropNet dataset, the first terabyte-sized, publicly available, and multi-modal dataset specifically targeting climate change-aware crop yield predictions for the contiguous United States (U.S.) continent at the county level. Our CropNet dataset is composed of three modalities of data, i.e., Sentinel-2 Imagery, WRF-HRRR Computed Dataset, and USDA Crop Dataset, for over 2200 U.S. counties spanning 6 years (2017-2022), expected to facilitate researchers in developing versatile deep learning models for timely and precisely predicting crop yields at the county-level, by accounting for the effects of both short-term growing season weather variations and long-term climate change on crop yields. Besides, we develop the CropNet package, offering three types of APIs, for facilitating researchers in downloading the CropNet data on the fly over the time and region of interest, and flexibly building their deep learning models for accurate crop yield predictions. Extensive experiments have been conducted on our CropNet dataset via employing various types of deep learning solutions, with the results validating the general applicability and the efficacy of the CropNet dataset in climate change-aware crop yield predictions.

cs.LG

MMST-ViT: Climate Change-aware Crop Yield Prediction via Multi-Modal Spatial-Temporal Vision Transformer

Precise crop yield prediction provides valuable information for agricultural planning and decision-making processes. However, timely predicting crop yields remains challenging as crop growth is sensitive to growing season weather variation and climate change. In this work, we develop a deep learning-based solution, namely Multi-Modal Spatial-Temporal Vision Transformer (MMST-ViT), for predicting crop yields at the county level across the United States, by considering the effects of short-term meteorological variations during the growing season and the long-term climate change on crops. Specifically, our MMST-ViT consists of a Multi-Modal Transformer, a Spatial Transformer, and a Temporal Transformer. The Multi-Modal Transformer leverages both visual remote sensing data and short-term meteorological data for modeling the effect of growing season weather variations on crop growth. The Spatial Transformer learns the high-resolution spatial dependency among counties for accurate agricultural tracking. The Temporal Transformer captures the long-range temporal dependency for learning the impact of long-term climate change on crops. Meanwhile, we also devise a novel multi-modal contrastive learning technique to pre-train our model without extensive human supervision. Hence, our MMST-ViT captures the impacts of both short-term weather variations and long-term climate change on crops by leveraging both satellite images and meteorological data. We have conducted extensive experiments on over 200 counties in the United States, with the experimental results exhibiting that our MMST-ViT outperforms its counterparts under three performance metrics of interest.

cs.CV