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Yijiang Li

Publications and source records attributed to Yijiang Li.

At least 55 records · Page 3Linked to original sources

CocoaBench: Evaluating Unified Digital Agents in the Wild

LLM agents now perform strongly in software engineering, deep research, GUI automation, and various other applications, while recent agent scaffolds and models are increasingly integrating these capabilities into unified systems. Yet, most evaluations still test these capabilities in isolation, which leaves a gap for more diverse use cases that require agents to combine different capabilities. We introduce CocoaBench, a benchmark for unified digital agents built from human-designed, long-horizon tasks that require flexible composition of vision, search, and coding. Tasks are specified only by an instruction and an automatic evaluation function over the final output, enabling reliable and scalable evaluation across diverse agent infrastructures. We also present CocoaAgent, a lightweight shared scaffold for controlled comparison across model backbones. Experiments show that current agents remain far from reliable on CocoaBench, with the best evaluated system achieving only 45.1% success rate. Our analysis further points to substantial room for improvement in reasoning and planning, tool use and execution, and visual grounding.

cs.CL↗

LUMINA: Foundation Models for Topology Transferable ACOPF

Foundation models in general promise to accelerate scientific computation by learning reusable representations across problem instances, yet constrained scientific systems, where predictions must satisfy physical laws and safety limits, pose unique challenges that stress conventional training paradigms. We derive design principles for constrained scientific foundation models through systematic investigation of AC optimal power flow (ACOPF), a representative optimization problem in power grid operations where power balance equations and operational constraints are non-negotiable. Through controlled experiments spanning architectures, training objectives, and system diversity, we extract three empirically grounded principles governing scientific foundation model design. These principles characterize three design trade-offs: learning physics-invariant representations while respecting system-specific constraints, optimizing accuracy while ensuring constraint satisfaction, and ensuring reliability in high-impact operating regimes. We present the LUMINA framework, including data processing and training pipelines to support reproducible research on physics-informed, feasibility-aware foundation models across scientific applications.

cs.LG↗

Scalable Cross-Facility Federated Learning for Scientific Foundation Models on Multiple Supercomputers

Artificial Intelligence for scientific applications increasingly requires training large models on data that cannot be centralized due to privacy constraints, data sovereignty, or the sheer volume of data generated. Federated learning (FL) addresses this by enabling collaborative training without centralizing raw data, but scientific applications demand model scales that requires extensive computing resources, typically offered at High Performance Computing (HPC) facilities. Deploying FL experiments across HPC facilities introduces challenges beyond cloud or enterprise settings. We present a comprehensive cross-facility FL framework for heterogeneous HPC environments, built on Advanced Privacy-Preserving Federated Learning (APPFL) framework with Globus Compute and Transfer orchestration, and evaluate it across four U.S. Department of Energy (DOE) leadership-class supercomputers. We demonstrate that FL experiments across HPC facilities are practically achievable, characterize key sources of heterogeneity impacting the training performance, and show that algorithmic choices matter significantly under realistic HPC scheduling conditions. We validate the scientific applicability by fine-tuning a large language model on a chemistry instruction dataset, and identify scheduler-aware algorithm design as a critical open challenge for future deployments.

cs.LG↗

BackdoorIDS: Zero-shot Backdoor Detection for Pretrained Vision Encoder

Self-supervised and multimodal vision encoders learn strong visual representations that are widely adopted in downstream vision tasks and large vision-language models (LVLMs). However, downstream users often rely on third-party pretrained encoders with uncertain provenance, exposing them to backdoor attacks. In this work, we propose BackdoorIDS, a simple yet effective zero-shot, inference-time backdoor samples detection method for pretrained vision encoders. BackdoorIDS is motivated by two observations: Attention Hijacking and Restoration. Under progressive input masking, a backdoored image initially concentrates attention on malicious trigger features. Once the masking ratio exceeds the trigger's robustness threshold, the trigger is deactivated, and attention rapidly shifts to benign content. This transition induces a pronounced change in the image embedding, whereas embeddings of clean images evolve more smoothly across masking progress. BackdoorIDS operationalizes this signal by extracting an embedding sequence along the masking trajectory and applying density-based clustering such as DBSCAN. An input is flagged as backdoored if its embedding sequence forms more than one cluster. Extensive experiments show that BackdoorIDS consistently outperforms existing defenses across diverse attack types, datasets, and model families. Notably, it is a plug-and-play approach that requires no retraining and operates fully zero-shot at inference time, making it compatible with a wide range of encoder architectures, including CNNs, ViTs, CLIP, and LLaVA-1.5.

cs.CV↗

Increasing Computation Resolves Conflicts in Vision Language Models

Cognitive control, the ability to coordinate competing information sources in pursuit of goals, is fundamental to intelligent behavior. We systematically investigate whether Vision Language Models (VLMs) exhibit cognitive control and how computational resources modulate conflict resolution. We construct a benchmark of 4,410 tasks across seven conflict paradigms (Stroop, Flanker, and five realistic variants) spanning multiple difficulty levels and visual complexities, testing 47 VLMs with rigorous experimental control. We find that VLMs exhibit robust congruency effects across all tasks, with larger models systematically resolving conflicts more effectively than smaller models. Critically, VLMs reproduce the fine-grained demand-resource relationship observed in human temporal dynamics: larger models drop below chance on incongruent high-conflict trials while smaller models fail to meaningfully engage and perform at chance, mirroring human behavior at short processing times and establishing parameter count as a proxy for conflict resolution capacity. These findings demonstrate that human-like cognitive control emerges from optimization dynamics in large-scale neural networks, suggesting that adaptive flexibility under conflict may naturally arise through scaling.

cs.NE↗

CoMAS: Co-Evolving Multi-Agent Systems via Interaction Rewards

Self-evolution is a central research topic in enabling large language model (LLM)-based agents to continually improve their capabilities after pretraining. Recent research has witnessed a transition from reinforcement learning (RL)-free to RL-based methods. Current RL-based methods either rely on dense external reward signals or extract intrinsic reward signals from LLMs themselves. However, these approaches diverge from the self-evolution mechanisms observed in human intelligence, where individuals learn and improve through mutual discussion and collaboration. In this work, we introduce Co-Evolving Multi-Agent Systems (CoMAS), a novel framework that enables agents to improve autonomously by learning from inter-agent interactions without external supervision. CoMAS generates intrinsic rewards from rich discussion dynamics, employs an LLM-as-a-judge mechanism to formulate these rewards, and optimizes each agent's policy through RL, thereby enabling decentralized and scalable co-evolution. Experimental results demonstrate that CoMAS consistently outperforms untrained agents and achieves state-of-the-art performance across most evaluation settings. Ablation studies confirm the necessity of interaction-based reward signals and reveal promising scalability as the number and diversity of agents increase. These findings establish CoMAS as a novel and effective paradigm for self-evolution in LLM-based agents.

cs.CL↗

Probing Perceptual Constancy in Large Vision-Language Models

Perceptual constancy is the ability to maintain stable perceptions of objects despite changes in sensory input, such as variations in distance, angle, or lighting. This ability is crucial for visual understanding in a dynamic world. Here, we explored such ability in current Vision Language Models (VLMs). In this study, we evaluated 155 VLMs using 236 experiments across three domains: color, size, and shape constancy. The experiments included single-image and video adaptations of classic cognitive tasks, along with novel tasks in in-the-wild conditions. We found significant variability in VLM performance across these domains, with model performance in shape constancy clearly dissociated from that of color and size constancy.

cs.CV↗

TermiGen: High-Fidelity Environment and Robust Trajectory Synthesis for Terminal Agents

Executing complex terminal tasks remains a significant challenge for open-weight LLMs, constrained by two fundamental limitations. First, high-fidelity, executable training environments are scarce: environments synthesized from real-world repositories are not diverse and scalable, while trajectories synthesized by LLMs suffer from hallucinations. Second, standard instruction tuning uses expert trajectories that rarely exhibit simple mistakes common to smaller models. This creates a distributional mismatch, leaving student models ill-equipped to recover from their own runtime failures. To bridge these gaps, we introduce TermiGen, an end-to-end pipeline for synthesizing verifiable environments and resilient expert trajectories. Termi-Gen first generates functionally valid tasks and Docker containers via an iterative multi-agent refinement loop. Subsequently, we employ a Generator-Critic protocol that actively injects errors during trajectory collection, synthesizing data rich in error-correction cycles. Fine-tuned on this TermiGen-generated dataset, our TermiGen-Qwen2.5-Coder-32B achieves a 31.3% pass rate on TerminalBench. This establishes a new open-weights state-of-the-art, outperforming existing baselines and notably surpassing capable proprietary models such as o4-mini. Dataset is avaiable at https://github.com/ucsb-mlsec/terminal-bench-env.

cs.AI↗

aiXiv: A Next-Generation Open Access Ecosystem for Scientific Discovery Generated by AI Scientists

Recent advances in large language models (LLMs) have enabled AI agents to autonomously generate scientific proposals, conduct experiments, author papers, and perform peer reviews. Yet this flood of AI-generated research content collides with a fragmented and largely closed publication ecosystem. Traditional journals and conferences rely on human peer review, making them difficult to scale and often reluctant to accept AI-generated research content; existing preprint servers (e.g. arXiv) lack rigorous quality-control mechanisms. Consequently, a significant amount of high-quality AI-generated research lacks appropriate venues for dissemination, hindering its potential to advance scientific progress. To address these challenges, we introduce aiXiv, a next-generation open-access platform for human and AI scientists. Its multi-agent architecture allows research proposals and papers to be submitted, reviewed, and iteratively refined by both human and AI scientists. It also provides API and MCP interfaces that enable seamless integration of heterogeneous human and AI scientists, creating a scalable and extensible ecosystem for autonomous scientific discovery. Through extensive experiments, we demonstrate that aiXiv is a reliable and robust platform that significantly enhances the quality of AI-generated research proposals and papers after iterative revising and reviewing on aiXiv. Our work lays the groundwork for a next-generation open-access ecosystem for AI scientists, accelerating the publication and dissemination of high-quality AI-generated research content. Code: https://github.com/aixiv-org aiXiv: https://aixiv.science

cs.AI↗

Experiences Building Enterprise-Level Privacy-Preserving Federated Learning to Power AI for Science

Federated learning (FL) is a promising approach to enabling collaborative model training without centralized data sharing, a crucial requirement in scientific domains where data privacy, ownership, and compliance constraints are critical. However, building user-friendly enterprise-level FL frameworks that are both scalable and privacy-preserving remains challenging, especially when bridging the gap between local prototyping and distributed deployment across heterogeneous client computing infrastructures. In this paper, based on our experiences building the Advanced Privacy-Preserving Federated Learning (APPFL) framework, we present our vision for an enterprise-grade, privacy-preserving FL framework designed to scale seamlessly across computing environments. We identify several key capabilities that such a framework must provide: (1) Scalable local simulation and prototyping to accelerate experimentation and algorithm design; (2) seamless transition from simulation to deployment; (3) distributed deployment across diverse, real-world infrastructures, from personal devices to cloud clusters and HPC systems; (4) multi-level abstractions that balance ease of use and research flexibility; and (5) comprehensive privacy and security through techniques such as differential privacy, secure aggregation, robust authentication, and confidential computing. We further discuss architectural designs to realize these goals. This framework aims to bridge the gap between research prototypes and enterprise-scale deployment, enabling scalable, reliable, and privacy-preserving AI for science.

cs.DC↗

The Philosophical Foundations of Growing AI Like A Child

Despite excelling in high-level reasoning, current language models lack robustness in real-world scenarios and perform poorly on fundamental problem-solving tasks that are intuitive to humans. This paper argues that both challenges stem from a core discrepancy between human and machine cognitive development. While both systems rely on increasing representational power, the absence of core knowledge, foundational cognitive structures in humans, prevents language models from developing robust, generalizable abilities, where complex skills are grounded in simpler ones within their respective domains. It explores empirical evidence of core knowledge in humans, analyzes why language models fail to acquire it, and argues that this limitation is not an inherent architectural constraint. Finally, it outlines a workable proposal for systematically integrating core knowledge into future multi-modal language models through the large-scale generation of synthetic training data using a cognitive prototyping strategy.

cs.AI↗

JEPA-T: Joint-Embedding Predictive Architecture with Text Fusion for Image Generation

Modern Text-to-Image (T2I) generation increasingly relies on token-centric architectures that are trained with self-supervision, yet effectively fusing text with visual tokens remains a challenge. We propose \textbf{JEPA-T}, a unified multimodal framework that encodes images and captions into discrete visual and textual tokens, processed by a joint-embedding predictive Transformer. To enhance fusion, we incorporate cross-attention after the feature predictor for conditional denoising while maintaining a task-agnostic backbone. Additionally, raw texts embeddings are injected prior to the flow matching loss to improve alignment during training. During inference, the same network performs both class-conditional and free-text image generation by iteratively denoising visual tokens conditioned on text. Evaluations on ImageNet-1K demonstrate that JEPA-T achieves strong data efficiency, open-vocabulary generalization, and consistently outperforms non-fusion and late-fusion baselines. Our approach shows that late architectural fusion combined with objective-level alignment offers an effective balance between conditioning strength and backbone generality in token-based T2I.The code is now available: https://github.com/justin-herry/JEPA-T.git

cs.CV↗

Toward a Team of AI-made Scientists for Scientific Discovery from Gene Expression Data

Machine learning has emerged as a powerful tool for scientific discovery, enabling researchers to extract meaningful insights from complex datasets. For instance, it has facilitated the identification of disease-predictive genes from gene expression data, significantly advancing healthcare. However, the traditional process for analyzing such datasets demands substantial human effort and expertise for the data selection, processing, and analysis. To address this challenge, we introduce a novel framework, a Team of AI-made Scientists (TAIS), designed to streamline the scientific discovery pipeline. TAIS comprises simulated roles, including a project manager, data engineer, and domain expert, each represented by a Large Language Model (LLM). These roles collaborate to replicate the tasks typically performed by data scientists, with a specific focus on identifying disease-predictive genes. Furthermore, we have curated a benchmark dataset to assess TAIS's effectiveness in gene identification, demonstrating our system's potential to significantly enhance the efficiency and scope of scientific exploration. Our findings represent a solid step towards automating scientific discovery through large language models.

q-bio.GN↗

Probing Mechanical Reasoning in Large Vision Language Models

Mechanical reasoning is a hallmark of human intelligence, defined by its ubiquitous yet irreplaceable role in human activities ranging from routine tasks to civil engineering. Embedding machines with mechanical reasoning is therefore an important step towards building human-level artificial intelligence. Here, we leveraged 155 cognitive experiments to test the understanding of system stability, gears and pulley systems, leverage principle, inertia and motion, and fluid mechanics in 26 Vision Language Models (VLMs). Results indicate that VLMs consistently perform worse than humans on all domains, while demonstrate significant difficulty in reasoning about gear systems and fluid mechanics. Notably, their performance on these tasks do not improve as number of parameters increase, suggesting that current attention-based architecture may fail to grasp certain underlying mechanisms required for mechanical reasoning, particularly those pertaining to mental simulations.

cs.AI↗

Vision Language Models Know Law of Conservation without Understanding More-or-Less

Understanding law of conservation is a critical milestone in human cognitive development considered to be supported by the apprehension of quantitative concepts and the reversibility of operations. To assess whether this critical component of human intelligence has emerged in Vision Language Models, we have curated the ConserveBench, a battery of 365 cognitive experiments across four dimensions of physical quantities: volume, solid quantity, length, and number. The former two involve transformational tasks which require reversibility understanding. The latter two involve non-transformational tasks which assess quantity understanding. Surprisingly, we find that while Vision Language Models are generally good at transformational tasks, they tend to fail at non-transformational tasks. There is a dissociation between understanding the reversibility of operations and understanding the concept of quantity, which both are believed to be the cornerstones of understanding law of conservation in humans.

cs.AI↗

Vision Language Models See What You Want but not What You See

Knowing others' intentions and taking others' perspectives are two core components of human intelligence that are considered to be instantiations of theory-of-mind. Infiltrating machines with these abilities is an important step towards building human-level artificial intelligence. Here, to investigate intentionality understanding and level-2 perspective-taking in Vision Language Models (VLMs), we constructed the IntentBench and PerspectBench, which together contains over 300 cognitive experiments grounded in real-world scenarios and classic cognitive tasks. We found VLMs achieving high performance on intentionality understanding but low performance on level-2 perspective-taking. This suggests a potential dissociation between simulation-based and theory-based theory-of-mind abilities in VLMs, highlighting the concern that they are not capable of using model-based reasoning to infer others' mental states.

cs.AI↗

Dataset Distillation via the Wasserstein Metric

Dataset Distillation (DD) aims to generate a compact synthetic dataset that enables models to achieve performance comparable to training on the full large dataset, significantly reducing computational costs. Drawing from optimal transport theory, we introduce WMDD (Wasserstein Metric-based Dataset Distillation), a straightforward yet powerful method that employs the Wasserstein metric to enhance distribution matching. We compute the Wasserstein barycenter of features from a pretrained classifier to capture essential characteristics of the original data distribution. By optimizing synthetic data to align with this barycenter in feature space and leveraging per-class BatchNorm statistics to preserve intra-class variations, WMDD maintains the efficiency of distribution matching approaches while achieving state-of-the-art results across various high-resolution datasets. Our extensive experiments demonstrate WMDD's effectiveness and adaptability, highlighting its potential for advancing machine learning applications at scale.

cs.CV↗

Unified Multimodal Understanding via Byte-Pair Visual Encoding

Multimodal large language models (MLLMs) have made significant progress in vision-language understanding, yet effectively aligning different modalities remains a fundamental challenge. We present a framework that unifies multimodal understanding by applying byte-pair encoding to visual tokens. Unlike conventional approaches that rely on modality-specific encoders, our method directly incorporates structural information into visual tokens, mirroring successful tokenization strategies in text-only language models. We introduce a priority-guided encoding scheme that considers both frequency and spatial consistency, coupled with a multi-stage training procedure based on curriculum-driven data composition. These enhancements enable the transformer model to better capture cross-modal relationships and reason with visual information. Comprehensive experiments demonstrate improved performance across diverse vision-language tasks. By bridging the gap between visual and textual representations, our approach contributes to the advancement of more capable and efficient multimodal foundation models.

cs.CV↗