Goto

Collaborating Authors

 Deep Learning


MultiDiffNet: A Multi-Objective Diffusion Framework for Generalizable Brain Decoding

arXiv.org Artificial Intelligence

Neural decoding from electroencephalography (EEG) remains fundamentally limited by poor generalization to unseen subjects, driven by high inter-subject variability and the lack of large-scale datasets to model it effectively. Existing methods often rely on synthetic subject generation or simplistic data augmentation, but these strategies fail to scale or generalize reliably. We introduce \textit{MultiDiffNet}, a diffusion-based framework that bypasses generative augmentation entirely by learning a compact latent space optimized for multiple objectives. We decode directly from this space and achieve state-of-the-art generalization across various neural decoding tasks using subject and session disjoint evaluation. We also curate and release a unified benchmark suite spanning four EEG decoding tasks of increasing complexity (SSVEP, Motor Imagery, P300, and Imagined Speech) and an evaluation protocol that addresses inconsistent split practices in prior EEG research. Finally, we develop a statistical reporting framework tailored for low-trial EEG settings. Our work provides a reproducible and open-source foundation for subject-agnostic EEG decoding in real-world BCI systems.


TRIDENT: A Trimodal Cascade Generative Framework for Drug and RNA-Conditioned Cellular Morphology Synthesis

arXiv.org Artificial Intelligence

Accurately modeling the relationship between perturbations, transcriptional responses, and phenotypic changes is essential for building an AI Virtual Cell (AIVC). However, existing methods typically constrained to modeling direct associations, such as Perturbation $\rightarrow$ RNA or Perturbation $\rightarrow$ Morphology, overlook the crucial causal link from RNA to morphology. To bridge this gap, we propose TRIDENT, a cascade generative framework that synthesizes realistic cellular morphology by conditioning on both the perturbation and the corresponding gene expression profile. To train and evaluate this task, we construct MorphoGene, a new dataset pairing L1000 gene expression with Cell Painting images for 98 compounds. TRIDENT significantly outperforms state-of-the-art approaches, achieving up to 7-fold improvement with strong generalization to unseen compounds. In a case study on docetaxel, we validate that RNA-guided synthesis accurately produces the corresponding phenotype. An ablation study further confirms that this RNA conditioning is essential for the model's high fidelity. By explicitly modeling transcriptome-phenome mapping, TRIDENT provides a powerful in silico tool and moves us closer to a predictive virtual cell.


From Tables to Signals: Revealing Spectral Adaptivity in TabPFN

arXiv.org Artificial Intelligence

Task-agnostic tabular foundation models such as TabPFN have achieved impressive performance on tabular learning tasks, yet the origins of their inductive biases remain poorly understood. In this work, we study TabPFN through the lens of signal reconstruction and provide the first frequency-based analysis of its in-context learning behavior. We show that TabPFN possesses a broader effective frequency capacity than standard ReLU-MLPs, even without hyperparameter tuning. Moreover, unlike MLPs whose spectra evolve primarily over training epochs, we find that TabPFN's spectral capacity adapts directly to the number of samples provided in-context, a phenomenon we term Spectral Adaptivity. We further demonstrate that positional encoding modulates TabPFN's frequency response, mirroring classical results in implicit neural representations. Finally, we show that these properties enable TabPFN to perform training-free and hyperparameter-free image denoising, illustrating its potential as a task-agnostic implicit model. Our analysis provides new insight into the structure and inductive biases of tabular foundation models and highlights their promise for broader signal reconstruction tasks.


Skypilot: Fine-Tuning LLM with Physical Grounding for AAV Coverage Search

arXiv.org Artificial Intelligence

Autonomous aerial vehicles (AAVs) have played a pivotal role in coverage operations and search missions. Recent advances in large language models (LLMs) offer promising opportunities to augment AAV intelligence. These advances help address complex challenges like area coverage optimization, dynamic path planning, and adaptive decision-making. However, the absence of physical grounding in LLMs leads to hallucination and reproducibility problems in spatial reasoning and decision-making. To tackle these issues, we present Skypilot, an LLM-enhanced two-stage framework that grounds language models in physical reality by integrating monte carlo tree search (MCTS). In the first stage, we introduce a diversified action space that encompasses generate, regenerate, fine-tune, and evaluate operations, coupled with physics-informed reward functions to ensure trajectory feasibility. In the second stage, we fine-tune Qwen3-4B on 23,000 MCTS-generated samples, achieving substantial inference acceleration while maintaining solution quality. Extensive numerical simulations and real-world flight experiments validate the efficiency and superiority of our proposed approach. Detailed information and experimental results are accessible at https://sky-pilot.top.


A Fair OR-ML Framework for Resource Substitution in Large-Scale Networks

arXiv.org Artificial Intelligence

Ensuring that the right resource is available at the right location and time remains a major challenge for organizations operating large-scale logistics networks. The challenge comes from uneven demand patterns and the resulting asymmetric flow of resources across the arcs, which create persistent imbalances at the network nodes. Resource substitution among multiple, potentially composite and interchangeable, resource types is a cost-effective way to mitigate these imbalances. This leads to the resource substitution problem, which aims at determining the minimum number of resource substitutions from an initial assignment to minimize the overall network imbalance. In decentralized settings, achieving globally coordinated solutions becomes even more difficult. When substitution entails costs, effective prescriptions must also incorporate fairness and account for the individual preferences of schedulers. This paper presents a generic framework that combines operations research (OR) and machine learning (ML) to enable fair resource substitution in large networks. The OR component models and solves the resource substitution problem under a fairness lens. The ML component leverages historical data to learn schedulers' preferences, guide intelligent exploration of the decision space, and enhance computational efficiency by dynamically selecting the top-$ฮบ$ resources for each arc in the network. The framework produces a portfolio of high-quality solutions from which schedulers can select satisfactory trade-offs. The proposed framework is applied to the network of one of the largest package delivery companies in the world, which serves as the primary motivation for this research. Computational results demonstrate substantial improvements over state-of-the-art methods, including an 80% reduction in model size and a 90% decrease in execution time while preserving optimality.


Reduced-Basis Deep Operator Learning for Parametric PDEs with Independently Varying Boundary and Source Data

arXiv.org Artificial Intelligence

Parametric PDEs power modern simulation, design, and digital-twin systems, yet their many-query workloads still hinge on repeatedly solving large finite-element systems. Existing operator-learning approaches accelerate this process but often rely on opaque learned trunks, require extensive labeled data, or break down when boundary and source data vary independently from physical parameters. We introduce RB-DeepONet, a hybrid operator-learning framework that fuses reduced-basis (RB) numerical structure with the branch-trunk architecture of DeepONet. The trunk is fixed to a rigorously constructed RB space generated offline via Greedy selection, granting physical interpretability, stability, and certified error control. The branch network predicts only RB coefficients and is trained label-free using a projected variational residual that targets the RB-Galerkin solution. For problems with independently varying loads or boundary conditions, we develop boundary and source modal encodings that compress exogenous data into low-dimensional coordinates while preserving accuracy. Combined with affine or empirical interpolation decompositions, RB-DeepONet achieves a strict offline-online split: all heavy lifting occurs offline, and online evaluation scales only with the RB dimension rather than the full mesh. We provide convergence guarantees separating RB approximation error from statistical learning error, and numerical experiments show that RB-DeepONet attains accuracy competitive with intrusive RB-Galerkin, POD-DeepONet, and FEONet while using dramatically fewer trainable parameters and achieving significant speedups. This establishes RB-DeepONet as an efficient, stable, and interpretable operator learner for large-scale parametric PDEs.


Developing an AI Course for Synthetic Chemistry Students

arXiv.org Artificial Intelligence

Artificial intelligence (AI) and data science are transforming chemical research, yet few formal courses are tailored to synthetic and experimental chemists, who often face steep entry barriers due to limited coding experience and lack of chemistry-specific examples. We present the design and implementation of AI4CHEM, an introductory data-driven chem-istry course created for students on the synthetic chemistry track with no prior programming background. The curricu-lum emphasizes chemical context over abstract algorithms, using an accessible web-based platform to ensure zero-install machine learning (ML) workflow development practice and in-class active learning. Assessment combines code-guided homework, literature-based mini-reviews, and collaborative projects in which students build AI-assisted workflows for real experimental problems. Learning gains include increased confidence with Python, molecular property prediction, reaction optimization, and data mining, and improved skills in evaluating AI tools in chemistry. All course materials are openly available, offering a discipline-specific, beginner-accessible framework for integrating AI into synthetic chemistry training.


Dreaming Falcon: Physics-Informed Model-Based Reinforcement Learning for Quadcopters

arXiv.org Artificial Intelligence

Model-based reinforcement learning (RL) has shown strong potential in handling these challenges while remaining sample-efficient. Additionally, Dreamer has demonstrated that online model-based RL can be achieved using a recurrent world model trained on replay buffer data. However, applying Dreamer to aerial systems has been quite challenging due to its sample inefficiency and poor generalization of dynamics models. Our work explores a physics-informed approach to world model learning and improves policy performance. The world model treats the quadcopter as a free-body system and predicts the net forces and moments acting on it, which are then passed through a 6-DOF Runge-Kutta integrator (RK4) to predict future state rollouts. In this paper, we compare this physics-informed method to a standard RNN-based world model. Although both models perform well on the training data, we observed that they fail to generalize to new trajectories, leading to rapid divergence in state rollouts, preventing policy convergence.


Can LLMs Help Allocate Public Health Resources? A Case Study on Childhood Lead Testing

arXiv.org Artificial Intelligence

Public health agencies face critical challenges in identifying high-risk neighborhoods for childhood lead exposure with limited resources for outreach and intervention programs. To address this, we develop a Priority Score integrating untested children proportions, elevated blood lead prevalence, and public health coverage patterns to support optimized resource allocation decisions across 136 neighborhoods in Chicago, New York City, and Washington, D.C. We leverage these allocation tasks, which require integrating multiple vulnerability indicators and interpreting empirical evidence, to evaluate whether large language models (LLMs) with agentic reasoning and deep research capabilities can effectively allocate public health resources when presented with structured allocation scenarios. LLMs were tasked with distributing 1,000 test kits within each city based on neighborhood vulnerability indicators. Results reveal significant limitations: LLMs frequently overlooked neighborhoods with highest lead prevalence and largest proportions of untested children, such as West Englewood in Chicago, while allocating disproportionate resources to lower-priority areas like Hunts Point in New York City. Overall accuracy averaged 0.46, reaching a maximum of 0.66 with ChatGPT 5 Deep Research. Despite their marketed deep research capabilities, LLMs struggled with fundamental limitations in information retrieval and evidence-based reasoning, frequently citing outdated data and allowing non-empirical narratives about neighborhood conditions to override quantitative vulnerability indicators.


A Novel and Practical Universal Adversarial Perturbations against Deep Reinforcement Learning based Intrusion Detection Systems

arXiv.org Artificial Intelligence

Intrusion Detection Systems (IDS) play a vital role in defending modern cyber physical systems against increasingly sophisticated cyber threats. Deep Reinforcement Learning-based IDS, have shown promise due to their adaptive and generalization capabilities. However, recent studies reveal their vulnerability to adversarial attacks, including Universal Adversarial Perturbations (UAPs), which can deceive models with a single, input-agnostic perturbation. In this work, we propose a novel UAP attack against Deep Reinforcement Learning (DRL)-based IDS under the domain-specific constraints derived from network data rules and feature relationships. To the best of our knowledge, there is no existing study that has explored UAP generation for the DRL-based IDS. In addition, this is the first work that focuses on developing a UAP against a DRL-based IDS under realistic domain constraints based on not only the basic domain rules but also mathematical relations between the features. Furthermore, we enhance the evasion performance of the proposed UAP, by introducing a customized loss function based on the Pearson Correlation Coefficient, and we denote it as Customized UAP. To the best of our knowledge, this is also the first work using the PCC value in the UAP generation, even in the broader context. Four additional established UAP baselines are implemented for a comprehensive comparison. Experimental results demonstrate that our proposed Customized UAP outperforms two input-dependent attacks including Fast Gradient Sign Method (FGSM), Basic Iterative Method (BIM), and four UAP baselines, highlighting its effectiveness for real-world adversarial scenarios.