Panpan Xu

Yijun Tian, Huan Song, Zichen Wang et al.

Large language models (LLMs) have shown remarkable generalization capability with exceptional performance in various language modeling tasks. However, they still exhibit inherent limitations in precisely capturing and returning grounded knowledge. While existing work has explored utilizing knowledge graphs (KGs) to enhance language modeling via joint training and customized model architectures, applying this to LLMs is problematic owing to their large number of parameters and high computational cost. Therefore, how to enhance pre-trained LLMs using grounded knowledge, e.g., retrieval-augmented generation, remains an open question. In this work, we propose Graph Neural Prompting (GNP), a novel plug-and-play method to assist pre-trained LLMs in learning beneficial knowledge from KGs. GNP encompasses various designs, including a standard graph neural network encoder, a cross-modality pooling module, a domain projector, and a self-supervised link prediction objective. Extensive experiments on multiple datasets demonstrate the superiority of GNP on both commonsense and biomedical reasoning tasks across different LLM sizes and settings. Code is available at https://github.com/meettyj/GNP.

Yongsu Ahn, Yu-Ru Lin, Panpan Xu et al.

Classification models learn to generalize the associations between data samples and their target classes. However, researchers have increasingly observed that machine learning practice easily leads to systematic errors in AI applications, a phenomenon referred to as AI blindspots. Such blindspots arise when a model is trained with training samples (e.g., cat/dog classification) where important patterns (e.g., black cats) are missing or periphery/undesirable patterns (e.g., dogs with grass background) are misleading towards a certain class. Even more sophisticated techniques cannot guarantee to capture, reason about, and prevent the spurious associations. In this work, we propose ESCAPE, a visual analytic system that promotes a human-in-the-loop workflow for countering systematic errors. By allowing human users to easily inspect spurious associations, the system facilitates users to spontaneously recognize concepts associated misclassifications and evaluate mitigation strategies that can reduce biased associations. We also propose two statistical approaches, relative concept association to better quantify the associations between a concept and instances, and debias method to mitigate spurious associations. We demonstrate the utility of our proposed ESCAPE system and statistical measures through extensive evaluation including quantitative experiments, usage scenarios, expert interviews, and controlled user experiments.

Linbo Liu, Guande Wu, Han Ding et al.

Large language model agents rely on effective model context to obtain task-relevant information for decision-making. Many existing context engineering approaches primarily rely on the context generated from the past experience and retrieval mechanisms that reuse these context. However, retrieved context from past tasks must be adapted by the execution agent to fit new situations, placing additional reasoning burden on the underlying LLM. To address this limitation, we propose a generative context augmentation framework using Contrastive Learning of Experience via Agentic Reflection (CLEAR). CLEAR first employs a reflection agent to perform contrastive analysis over past execution trajectories and summarize useful context for each observed task. These summaries are then used as supervised fine-tuning data to train a context augmentation model (CAM). Then we further optimize CAM using reinforcement learning, where the reward signal is obtained by running the task execution agent. By learning to generate task-specific knowledge rather than retrieve knowledge from the past, CAM produces context that is better tailored to the current task. We conduct comprehensive evaluations on the AppWorld and WebShop benchmarks. Experimental results show that CLEAR consistently outperforms strong baselines. It improves task completion rate from 72.62% to 81.15% on AppWorld test set and averaged reward from 0.68 to 0.74 on a subset of WebShop, compared with baseline agent. Our code is publicly available at https://github.com/awslabs/CLEAR.

Jiongxiao Wang, Qiaojing Yan, Yawei Wang et al.

Large Language Model (LLM)-based agents have demonstrated remarkable capabilities in complex reasoning and multi-turn interactions but struggle to continuously improve and adapt when deployed in new environments. One promising approach is implementing skill libraries that allow agents to learn, validate, and apply new skills. However, current skill library approaches rely primarily on LLM prompting, making consistent skill library implementation challenging. To overcome these challenges, we propose a Reinforcement Learning (RL)-based approach to enhance agents' self-improvement capabilities with a skill library. Specifically, we introduce Skill Augmented GRPO for self-Evolution (SAGE), a novel RL framework that systematically incorporates skills into learning. The framework's key component, Sequential Rollout, iteratively deploys agents across a chain of similar tasks for each rollout. As agents navigate through the task chain, skills generated from previous tasks accumulate in the library and become available for subsequent tasks. Additionally, the framework enhances skill generation and utilization through a Skill-integrated Reward that complements the original outcome-based rewards. Experimental results on AppWorld demonstrate that SAGE, when applied to supervised-finetuned model with expert experience, achieves 8.9% higher Scenario Goal Completion while requiring 26% fewer interaction steps and generating 59% fewer tokens, substantially outperforming existing approaches in both accuracy and efficiency.

Kiran Ramnath, Kang Zhou, Sheng Guan et al.

Since the advent of large language models (LLMs), prompt engineering has been a crucial step for eliciting desired responses for various Natural Language Processing (NLP) tasks. However, prompt engineering remains an impediment for end users due to rapid advances in models, tasks, and associated best practices. To mitigate this, Automatic Prompt Optimization (APO) techniques have recently emerged that use various automated techniques to help improve the performance of LLMs on various tasks. In this paper, we present a comprehensive survey summarizing the current progress and remaining challenges in this field. We provide a formal definition of APO, a 5-part unifying framework, and then proceed to rigorously categorize all relevant works based on their salient features therein. We hope to spur further research guided by our framework.

Dezhan Tu, Danylo Vashchilenko, Yuzhe Lu et al.

Vision-Language Models (VLMs) have demonstrated impressive performance across a versatile set of tasks. A key challenge in accelerating VLMs is storing and accessing the large Key-Value (KV) cache that encodes long visual contexts, such as images or videos. While existing KV cache compression methods are effective for Large Language Models (LLMs), directly migrating them to VLMs yields suboptimal accuracy and speedup. To bridge the gap, we propose VL-Cache, a novel KV cache compression recipe tailored for accelerating VLM inference. In this paper, we first investigate the unique sparsity pattern of VLM attention by distinguishing visual and text tokens in prefill and decoding phases. Based on these observations, we introduce a layer-adaptive sparsity-aware cache budget allocation method that effectively distributes the limited cache budget across different layers, further reducing KV cache size without compromising accuracy. Additionally, we develop a modality-aware token scoring policy to better evaluate the token importance. Empirical results on multiple benchmark datasets demonstrate that retaining only 10% of KV cache achieves accuracy comparable to that with full cache. In a speed benchmark, our method accelerates end-to-end latency of generating 100 tokens by up to 2.33x and speeds up decoding by up to 7.08x, while reducing the memory footprint of KV cache in GPU by 90%.

Benjamin Mikek, Danylo Vashchilenko, Bryan Lu et al.

Generating performant executables from high level languages is critical to software performance across a wide range of domains. Modern compilers perform this task by passing code through a series of well-studied optimizations at progressively lower levels of abstraction, but may miss optimization opportunities that require high-level reasoning about a program's purpose. Recent work has proposed using LLMs to fill this gap. While LLMs can achieve large speedups on some programs, they frequently generate code that is incorrect. In this work, we propose a method to balance the correctness of conventional compiler optimizations with the ``creativity'' of LLM-based code generation: compiler-LLM cooperation. Our approach integrates existing compiler optimization passes with LLM-based code generation at multiple levels of abstraction, retaining the best features of both types of code optimization. We realize our approach with a multi-agent system that includes (1) LLM-based optimization agents for each level of abstraction, (2) individual compiler constituents as tools, (3) an LLM-based test generation agent that probes the correctness and performance of generated code, and (4) a guiding LLM that orchestrates the other components. The strategy enables LLM-based optimization of input programs at multiple levels of abstraction and introduces a method for distributing computational budget between levels. Our extensive evaluation shows that compiler-LLM cooperation outperforms both existing compiler optimizations and level-specific LLM-based baselines, producing speedups up to 1.25x.

Guande Wu, Huan Song, Yawei Wang et al.

Reasoning is increasingly crucial for various tasks. While chain-of-thought prompting enables large language models to leverage reasoning effectively, harnessing the reasoning capabilities of Vision-Language Models (VLMs) remains challenging. To solve this problem, we propose a novel self-distillation framework that enhances the reasoning capabilities of the model. The proposed framework introduces several key innovations. We start by employing a prompt library tailored to visual reasoning tasks to generate diverse in-context questions and utilize a two-step reasoning procedure to derive reasoning-guided responses. These responses are then used for self-distillation, enabling the model to internalize the reasoning process. Additionally, we improve the model architecture with several innovative components, including an intervention adapter for efficient parameter updates, a cross-modal skip connection to facilitate information exchange between modalities, and an ensemble learning algorithm to integrate diverse reasoning from multiple in-context questions. Extensive experiments show that our method significantly improves the baseline performance across five VQA datasets.

Jiazheng Li, Yawei Wang, David Yan et al.

Large Language Models (LLMs) have demonstrated remarkable capabilities, enabling language agents to excel at single-turn tasks. However, their application to complex, multi-step, and long-horizon tasks remains challenging. While reinforcement learning (RL) offers a promising avenue for addressing these challenges, mainstream approaches typically rely solely on sparse, outcome-based rewards, a limitation that becomes especially problematic for group-based RL algorithms lacking critic models, such as Group Relative Policy Optimization (GRPO). In such methods, uniformly rewarding or penalizing all actions within a trajectory can lead to training instability and suboptimal policies, because beneficial and detrimental actions are often entangled across multi-step interactions. To address this challenge, we propose SALT, a novel and lightweight framework that provides a finer-grained advantage assignment, derived solely from outcome rewards. We achieve this by constructing a graph from trajectories of the same prompt, which allows us to quantify the quality of each step and assign advantages accordingly. Crucially, SALT is designed as a plug-and-play module that seamlessly integrates with existing group-based RL algorithms, requiring no modifications to the rollout procedure and introducing negligible computational overhead. Extensive experiments on the WebShop, ALFWorld, and AppWorld benchmarks with various model sizes demonstrate that SALT consistently improves performance. We also conduct a thorough analysis to validate the design choices behind SALT and offer actionable insights.

Kazi Tasnim Zinat, Yun Zhou, Xiang Lyu et al.

Inferring causal relationships between event pairs in a temporal sequence is applicable in many domains such as healthcare, manufacturing, and transportation. Most existing work on causal inference primarily focuses on event types within the designated domain, without considering the impact of exogenous out-of-domain interventions. In real-world settings, these out-of-domain interventions can significantly alter causal dynamics. To address this gap, we propose a new causal framework to define average treatment effect (ATE), beyond independent and identically distributed (i.i.d.) data in classic Rubin's causal framework, to capture the causal relation shift between events of temporal process under out-of-domain intervention. We design an unbiased ATE estimator, and devise a Transformer-based neural network model to handle both long-range temporal dependencies and local patterns while integrating out-of-domain intervention information into process modeling. Extensive experiments on both simulated and real-world datasets demonstrate that our method outperforms baselines in ATE estimation and goodness-of-fit under out-of-domain-augmented point processes.

Min Zhang, Yuzhe Lu, Yun Zhou et al.

Numerical reasoning over documents, which demands both contextual understanding and logical inference, is challenging for low-capacity local models deployed on computation-constrained devices. Although such complex reasoning queries could be routed to powerful remote models like GPT-4, exposing local data raises significant data leakage concerns. Existing mitigation methods generate problem descriptions or examples for remote assistance. However, the inherent complexity of numerical reasoning hinders the local model from generating logically equivalent queries and accurately inferring answers with remote guidance. In this paper, we present a model collaboration framework with two key innovations: (1) a context-aware synthesis strategy that shifts the query topics while preserving reasoning patterns; and (2) a tool-based answer reconstruction approach that reuses the remote-generated plug-and-play solution with code snippets. Experimental results demonstrate that our method achieves better reasoning accuracy than solely using local models while providing stronger data protection than fully relying on remote models. Furthermore, our method improves accuracy by 16.2% - 43.6% while reducing data leakage by 2.3% - 44.6% compared to existing data protection approaches.

Jinshu Chen, Bingchuan Li, Miao Hua et al.

Existing solutions to image editing tasks suffer from several issues. Though achieving remarkably satisfying generated results, some supervised methods require huge amounts of paired training data, which greatly limits their usages. The other unsupervised methods take full advantage of large-scale pre-trained priors, thus being strictly restricted to the domains where the priors are trained on and behaving badly in out-of-distribution cases. The task we focus on is how to enable the users to customize their desired effects through only few image pairs. In our proposed framework, a novel few-shot learning mechanism based on the directional transformations among samples is introduced and expands the learnable space exponentially. Adopting a diffusion model pipeline, we redesign the condition calculating modules in our model and apply several technical improvements. Experimental results demonstrate the capabilities of our method in various cases.

Huan Song, Zeng Dai, Panpan Xu et al.

Graphs are a ubiquitous data structure to model processes and relations in a wide range of domains. Examples include control-flow graphs in programs and semantic scene graphs in images. Identifying subgraph patterns in graphs is an important approach to understanding their structural properties. We propose a visual analytics system GraphQ to support human-in-the-loop, example-based, subgraph pattern search in a database containing many individual graphs. To support fast, interactive queries, we use graph neural networks (GNNs) to encode a graph as fixed-length latent vector representation, and perform subgraph matching in the latent space. Due to the complexity of the problem, it is still difficult to obtain accurate one-to-one node correspondences in the matching results that are crucial for visualization and interpretation. We, therefore, propose a novel GNN for node-alignment called NeuroAlign, to facilitate easy validation and interpretation of the query results. GraphQ provides a visual query interface with a query editor and a multi-scale visualization of the results, as well as a user feedback mechanism for refining the results with additional constraints. We demonstrate GraphQ through two example usage scenarios: analyzing reusable subroutines in program workflows and semantic scene graph search in images. Quantitative experiments show that NeuroAlign achieves 19-29% improvement in node-alignment accuracy compared to baseline GNN and provides up to 100x speedup compared to combinatorial algorithms. Our qualitative study with domain experts confirms the effectiveness for both usage scenarios.

Zhenge Zhao, Panpan Xu, Carlos Scheidegger et al.

The interpretation of deep neural networks (DNNs) has become a key topic as more and more people apply them to solve various problems and making critical decisions. Concept-based explanations have recently become a popular approach for post-hoc interpretation of DNNs. However, identifying human-understandable visual concepts that affect model decisions is a challenging task that is not easily addressed with automatic approaches. We present a novel human-in-the-loop approach to generate user-defined concepts for model interpretation and diagnostics. Central to our proposal is the use of active learning, where human knowledge and feedback are combined to train a concept extractor with very little human labeling effort. We integrate this process into an interactive system, ConceptExtract. Through two case studies, we show how our approach helps analyze model behavior and extract human-friendly concepts for different machine learning tasks and datasets and how to use these concepts to understand the predictions, compare model performance and make suggestions for model refinement. Quantitative experiments show that our active learning approach can accurately extract meaningful visual concepts. More importantly, by identifying visual concepts that negatively affect model performance, we develop the corresponding data augmentation strategy that consistently improves model performance.

Yao Ming, Panpan Xu, Huamin Qu et al.

One of the major challenges in machine learning nowadays is to provide predictions with not only high accuracy but also user-friendly explanations. Although in recent years we have witnessed increasingly popular use of deep neural networks for sequence modeling, it is still challenging to explain the rationales behind the model outputs, which is essential for building trust and supporting the domain experts to validate, critique and refine the model. We propose ProSeNet, an interpretable and steerable deep sequence model with natural explanations derived from case-based reasoning. The prediction is obtained by comparing the inputs to a few prototypes, which are exemplar cases in the problem domain. For better interpretability, we define several criteria for constructing the prototypes, including simplicity, diversity, and sparsity and propose the learning objective and the optimization procedure. ProSeNet also provides a user-friendly approach to model steering: domain experts without any knowledge on the underlying model or parameters can easily incorporate their intuition and experience by manually refining the prototypes. We conduct experiments on a wide range of real-world applications, including predictive diagnostics for automobiles, ECG, and protein sequence classification and sentiment analysis on texts. The result shows that ProSeNet can achieve accuracy on par with state-of-the-art deep learning models. We also evaluate the interpretability of the results with concrete case studies. Finally, through user study on Amazon Mechanical Turk (MTurk), we demonstrate that the model selects high-quality prototypes which align well with human knowledge and can be interactively refined for better interpretability without loss of performance.

Takanori Fujiwara, Jia-Kai Chou, Shilpika et al.

Dimensionality reduction (DR) methods are commonly used for analyzing and visualizing multidimensional data. However, when data is a live streaming feed, conventional DR methods cannot be directly used because of their computational complexity and inability to preserve the projected data positions at previous time points. In addition, the problem becomes even more challenging when the dynamic data records have a varying number of dimensions as often found in real-world applications. This paper presents an incremental DR solution. We enhance an existing incremental PCA method in several ways to ensure its usability for visualizing streaming multidimensional data. First, we use geometric transformation and animation methods to help preserve a viewer's mental map when visualizing the incremental results. Second, to handle data dimension variants, we use an optimization method to estimate the projected data positions, and also convey the resulting uncertainty in the visualization. We demonstrate the effectiveness of our design with two case studies using real-world datasets.

Shulong Li, Panpan Xu, Bin Li et al.

To predict lung nodule malignancy with a high sensitivity and specificity, we propose a fusion algorithm that combines handcrafted features (HF) into the features learned at the output layer of a 3D deep convolutional neural network (CNN). First, we extracted twenty-nine handcrafted features, including nine intensity features, eight geometric features, and twelve texture features based on grey-level co-occurrence matrix (GLCM) averaged from thirteen directions. We then trained 3D CNNs modified from three state-of-the-art 2D CNN architectures (AlexNet, VGG-16 Net and Multi-crop Net) to extract the CNN features learned at the output layer. For each 3D CNN, the CNN features combined with the 29 handcrafted features were used as the input for the support vector machine (SVM) coupled with the sequential forward feature selection (SFS) method to select the optimal feature subset and construct the classifiers. The fusion algorithm takes full advantage of the handcrafted features and the highest level CNN features learned at the output layer. It can overcome the disadvantage of the handcrafted features that may not fully reflect the unique characteristics of a particular lesion by combining the intrinsic CNN features. Meanwhile, it also alleviates the requirement of a large scale annotated dataset for the CNNs based on the complementary of handcrafted features. The patient cohort includes 431 malignant nodules and 795 benign nodules extracted from the LIDC/IDRI database. For each investigated CNN architecture, the proposed fusion algorithm achieved the highest AUC, accuracy, sensitivity, and specificity scores among all competitive classification models.