Algorithms for learning programmatic representations for sequential decision-making problems are often evaluated on out-of-distribution (OOD) problems, with the common conclusion that programmatic policies generalize better than neural policies on OOD problems. In this position paper, we argue that commonly used benchmarks undervalue the generalization capabilities of programmatic representations. We analyze the experiments of four papers from the literature and show that neural policies, which were shown not to generalize, can generalize as effectively as programmatic policies on OOD problems. This is achieved with simple changes in the neural policies training pipeline. Namely, we show that simpler neural architectures with the same type of sparse observation used with programmatic policies can help attain OOD generalization. Another modification we have shown to be effective is the use of reward functions that allow for safer policies (e.g., agents that drive slowly can generalize better). Also, we argue for creating benchmark problems highlighting concepts needed for OOD generalization that may challenge neural policies but align with programmatic representations, such as tasks requiring algorithmic constructs like stacks.
Decision trees are widely used for interpretable machine learning due to their clearly structured reasoning process. However, this structure belies a challenge we refer to as predictive equivalence: a given tree's decision boundary can be represented by many different decision trees. The presence of models with identical decision boundaries but different evaluation processes makes model selection challenging. The models will have different variable importance and behave differently in the presence of missing values, but most optimization procedures will arbitrarily choose one such model to return. We present a boolean logical representation of decision trees that does not exhibit predictive equivalence and is faithful to the underlying decision boundary. We apply our representation to several downstream machine learning tasks. Using our representation, we show that decision trees are surprisingly robust to test-time missingness of feature values; we address predictive equivalence's impact on quantifying variable importance; and we present an algorithm to optimize the cost of reaching predictions.
Analyses of causal mediation often involve exposure-induced confounders or, relatedly, multiple mediators. In such applications, researchers aim to estimate a variety of different quantities, including interventional direct and indirect effects, multivariate natural direct and indirect effects, and/or path-specific effects. This study introduces a general approach to estimating all these quantities by simulating potential outcomes from a series of distribution models for each mediator and the outcome. Building on similar methods developed for analyses with only a single mediator (Imai et al. 2010), we first outline how to implement this approach with parametric models. The parametric implementation can accommodate linear and nonlinear relationships, both continuous and discrete mediators, and many different types of outcomes. However, it depends on correct specification of each model used to simulate the potential outcomes. To address the risk of misspecification, we also introduce an alternative implementation using a novel class of nonparametric models, which leverage deep neural networks to approximate the relevant distributions without relying on strict assumptions about functional form. We illustrate both methods by reanalyzing the effects of media framing on attitudes toward immigration (Brader et al. 2008) and the effects of prenatal care on preterm birth (VanderWeele et al. 2014).
We present a novel framework for chemical learning based on Competitive Dimerization Networks (CDNs) - systems in which multiple molecular species, e.g. proteins or DNA/RNA oligomers, reversibly bind to form dimers. We show that these networks can be trained in vitro through directed evolution, enabling the implementation of complex learning tasks such as multiclass classification without digital hardware or explicit parameter tuning. Each molecular species functions analogously to a neuron, with binding affinities acting as tunable synaptic weights. A training protocol involving mutation, selection, and amplification of DNA-based components allows CDNs to robustly discriminate among noisy input patterns. The resulting classifiers exhibit strong output contrast and high mutual information between input and output, especially when guided by a contrast-enhancing loss function. Comparative analysis with in silico gradient descent training reveals closely correlated performance. These results establish CDNs as a promising platform for analog physical computation, bridging synthetic biology and machine learning, and advancing the development of adaptive, energy-efficient molecular computing systems.
Machine unlearning (MU) for large language models (LLMs), commonly referred to as LLM unlearning, seeks to remove specific undesirable data or knowledge from a trained model, while maintaining its performance on standard tasks. While unlearning plays a vital role in protecting data privacy, enforcing copyright, and mitigating sociotechnical harms in LLMs, we identify a new vulnerability post-unlearning: unlearning trace detection. We discover that unlearning leaves behind persistent ''fingerprints'' in LLMs, detectable traces in both model behavior and internal representations. These traces can be identified from output responses, even when prompted with forget-irrelevant inputs. Specifically, a simple supervised classifier can reliably determine whether a model has undergone unlearning based solely on its textual outputs. Further analysis shows that these traces are embedded in intermediate activations and propagate nonlinearly to the final layer, forming low-dimensional, learnable manifolds in activation space. Through extensive experiments, we show that forget-relevant prompts enable over 90% accuracy in detecting unlearning traces across all model sizes. Even with forget-irrelevant inputs, large LLMs maintain high detectability, demonstrating the broad applicability of unlearning trace detection. These findings reveal that unlearning leaves measurable signatures, introducing a new risk of reverse-engineering forgotten information when a model is identified as unlearned given an input query. Codes are available at [this URL](https://github.com/OPTML-Group/Unlearn-Trace).
Long sequences are critical for applications like RAG, long document summarization, multi-modality, etc., and modern LLMs, like Llama 4 Scout, support max sequence length of up to 10 million tokens. However, outside of enterprise labs, long sequence training is challenging for the AI community with limited system support in the open-source space. Out-of-box, even on a modern NVIDIA H100 80GB GPU cluster, training Llama 8B model with sequence over 32K runs out of memory on a basic Hugging Face (HF) model due to two reasons: i) LLM training workloads are not optimized to fully leverage a single GPU memory, ii) existing solutions for leveraging multiple GPU memory are not easily available to HF models, making long sequence training inaccessible. We address this with Arctic Long Sequence Training (ALST). It offers a combination of attention-agnostic single GPU and multi-GPU memory optimizations, that enables it to support out-of-box training of multi-million sequence length for a wide variety of HF models. ALST supports training Meta's Llama 8B model with 500K sequence length on a single H100 GPU, 3.7M on a single 8xH100 GPU node, and over 15M on a 4 node cluster, an increase of over 400x compared to the 32K baseline for the latter. ALST is fully compatible with HF models and open-sourced via Deepspeed https://www.deepspeed.ai/tutorials/ulysses-alst-sequence-pallellism/ and Arctic Training https://github.com/snowflakedb/ArcticTraining/blob/main/projects/sequence-parallelism/README.md.
Coordinated campaigns frequently exploit social media platforms by artificially amplifying topics, making inauthentic trends appear organic, and misleading users into engagement. Distinguishing these coordinated efforts from genuine public discourse remains a significant challenge due to the sophisticated nature of such attacks. Our work focuses on detecting coordinated campaigns by modeling the problem as a graph classification task. We leverage the recently introduced Large Engagement Networks (LEN) dataset, which contains over 300 networks capturing engagement patterns from both fake and authentic trends on Twitter prior to the 2023 Turkish elections. The graphs in LEN were constructed by collecting interactions related to campaigns that stemmed from ephemeral astroturfing. Established graph neural networks (GNNs) struggle to accurately classify campaign graphs, highlighting the challenges posed by LEN due to the large size of its networks. To address this, we introduce a new graph classification method that leverages the density of local network structures. We propose a random weighted walk (RWW) approach in which node transitions are biased by local density measures such as degree, core number, or truss number. These RWWs are encoded using the Skip-gram model, producing density-aware structural embeddings for the nodes. Training message-passing neural networks (MPNNs) on these density-aware embeddings yields superior results compared to the simpler node features available in the dataset, with nearly a 12\% and 5\% improvement in accuracy for binary and multiclass classification, respectively. Our findings demonstrate that incorporating density-aware structural encoding with MPNNs provides a robust framework for identifying coordinated inauthentic behavior on social media networks such as Twitter.
Living environments play a vital role in the prevalence and progression of diseases, and understanding their impact on patient's health status becomes increasingly crucial for developing AI models. However, due to the lack of long-term and fine-grained spatial and temporal data in public and population health studies, most existing studies fail to incorporate environmental data, limiting the models' performance and real-world application. To address this shortage, we developed SatHealth, a novel dataset combining multimodal spatiotemporal data, including environmental data, satellite images, all-disease prevalences estimated from medical claims, and social determinants of health (SDoH) indicators. We conducted experiments under two use cases with SatHealth: regional public health modeling and personal disease risk prediction. Experimental results show that living environmental information can significantly improve AI models' performance and temporal-spatial generalizability on various tasks. Finally, we deploy a web-based application to provide an exploration tool for SatHealth and one-click access to both our data and regional environmental embedding to facilitate plug-and-play utilization. SatHealth is now published with data in Ohio, and we will keep updating SatHealth to cover the other parts of the US. With the web application and published code pipeline, our work provides valuable angles and resources to include environmental data in healthcare research and establishes a foundational framework for future research in environmental health informatics.
The classical Job Shop Scheduling Problem (JSSP) focuses on optimizing makespan under deterministic constraints. Real-world production environments introduce additional complexities that cause traditional scheduling approaches to be less effective. Reinforcement learning (RL) holds potential in addressing these challenges, as it allows agents to learn adaptive scheduling strategies. However, there is a lack of a comprehensive, general-purpose frameworks for effectively training and evaluating RL agents under real-world constraints. To address this gap, we propose a modular framework that extends classical JSSP formulations by incorporating key real-world constraints inherent to the shopfloor, including transport logistics, buffer management, machine breakdowns, setup times, and stochastic processing conditions, while also supporting multi-objective optimization. The framework is a customizable solution that offers flexibility in defining problem instances and configuring simulation parameters, enabling adaptation to diverse production scenarios. A standardized interface ensures compatibility with various RL approaches, providing a robust environment for training RL agents and facilitating the standardized comparison of different scheduling methods under dynamic and uncertain conditions. We release JobShopLab as an open-source tool for both research and industrial applications, accessible at: https://github.com/proto-lab-ro/jobshoplab
Graph Neural Networks (GNNs) have achieved state-of-the-art performance in node classification tasks but struggle with label noise in real-world data. Existing studies on graph learning with label noise commonly rely on class-dependent label noise, overlooking the complexities of instance-dependent noise and falling short of capturing real-world corruption patterns. We introduce BeGIN (Benchmarking for Graphs with Instance-dependent Noise), a new benchmark that provides realistic graph datasets with various noise types and comprehensively evaluates noise-handling strategies across GNN architectures, noisy label detection, and noise-robust learning. To simulate instance-dependent corruptions, BeGIN introduces algorithmic methods and LLM-based simulations. Our experiments reveal the challenges of instance-dependent noise, particularly LLM-based corruption, and underscore the importance of node-specific parameterization to enhance GNN robustness. By comprehensively evaluating noise-handling strategies, BeGIN provides insights into their effectiveness, efficiency, and key performance factors. We expect that BeGIN will serve as a valuable resource for advancing research on label noise in graphs and fostering the development of robust GNN training methods. The code is available at https://github.com/kimsu55/BeGIN.
Deep neural networks often learn and rely on spurious correlations, i.e., superficial associations between non-causal features and the targets. For instance, an image classifier may identify camels based on the desert backgrounds. While it can yield high overall accuracy during training, it degrades generalization on more diverse scenarios where such correlations do not hold. This problem poses significant challenges for out-of-distribution robustness and trustworthiness. Existing methods typically mitigate this issue by using external group annotations or auxiliary deterministic models to learn unbiased representations. However, such information is costly to obtain, and deterministic models may fail to capture the full spectrum of biases learned by the models. To address these limitations, we propose Evidential Alignment, a novel framework that leverages uncertainty quantification to understand the behavior of the biased models without requiring group annotations. By quantifying the evidence of model prediction with second-order risk minimization and calibrating the biased models with the proposed evidential calibration technique, Evidential Alignment identifies and suppresses spurious correlations while preserving core features. We theoretically justify the effectiveness of our method as capable of learning the patterns of biased models and debiasing the model without requiring any spurious correlation annotations. Empirical results demonstrate that our method significantly improves group robustness across diverse architectures and data modalities, providing a scalable and principled solution to spurious correlations.
Large Reasoning Models (LRMs) have achieved remarkable success, yet they often suffer from producing unnecessary and verbose reasoning chains. We identify a core aspect of this issue as "invalid thinking" -- models tend to repeatedly double-check their work after having derived the correct answer. To address this specific inefficiency, we move beyond the general principles of Efficacy and Efficiency to propose two new, fine-grained principles: Brevity, which advocates for eliminating redundancy, and Sufficiency, which ensures critical reasoning steps are preserved. Guided by these principles, we introduce LC-R1, a post-training method based on Group Relative Policy Optimization (GRPO). LC-R1 employs a novel combination of a Length Reward for overall conciseness and a Compress Reward that is specifically designed to remove the invalid portion of the thinking process. Extensive experiments on multiple reasoning benchmarks demonstrate that LC-R1 achieves a significant reduction in sequence length (~50%) with only a marginal (~2%) drop in accuracy, achieving a favorable trade-off point on the Pareto frontier that prioritizes high compression. Our analysis further validates the robustness of LC-R1 and provides valuable insights for developing more powerful yet computationally efficient LRMs. Our code is released at https://github.com/zxiangx/LC-R1.
Over the last decade, as we rely more on deep learning technologies to make critical decisions, concerns regarding their safety, reliability and interpretability have emerged. We introduce a novel Neural Argumentative Learning (NAL) architecture that integrates Assumption-Based Argumentation (ABA) with deep learning for image analysis. Our architecture consists of neural and symbolic components. The former segments and encodes images into facts using object-centric learning, while the latter applies ABA learning to develop ABA frameworks enabling predictions with images. Experiments on synthetic data show that the NAL architecture can be competitive with a state-of-the-art alternative.
Recent advancements in reinforcement learning from human feedback have shown that utilizing fine-grained token-level reward models can substantially enhance the performance of Proximal Policy Optimization (PPO) in aligning large language models. However, it is challenging to leverage such token-level reward as guidance for Direct Preference Optimization (DPO), since DPO is formulated as a sequence-level bandit problem. To address this challenge, this work decomposes the sequence-level PPO into a sequence of token-level proximal policy optimization problems and then frames the problem of token-level PPO with token-level reward guidance, from which closed-form optimal token-level policy and the corresponding token-level reward can be derived. Using the obtained reward and Bradley-Terry model, this work establishes a framework of computable loss functions with token-level reward guidance for DPO, and proposes a practical reward guidance based on the induced DPO reward. This formulation enables different tokens to exhibit varying degrees of deviation from reference policy based on their respective rewards. Experiment results demonstrate that our method achieves substantial performance improvements over DPO, with win rate gains of up to 7.5 points on MT-Bench, 6.2 points on AlpacaEval 2, and 4.3 points on Arena-Hard. Code is available at https://github.com/dvlab-research/TGDPO.
Automating table extraction (TE) from business documents is critical for industrial workflows but remains challenging due to sparse annotations and error-prone multi-stage pipelines. While semi-supervised learning (SSL) can leverage unlabeled data, existing methods rely on confidence scores that poorly reflect extraction quality. We propose QUEST, a Quality-aware Semi-supervised Table extraction framework designed for business documents. QUEST introduces a novel quality assessment model that evaluates structural and contextual features of extracted tables, trained to predict F1 scores instead of relying on confidence metrics. This quality-aware approach guides pseudo-label selection during iterative SSL training, while diversity measures (DPP, Vendi score, IntDiv) mitigate confirmation bias. Experiments on a proprietary business dataset (1000 annotated + 10000 unannotated documents) show QUEST improves F1 from 64% to 74% and reduces empty predictions by 45% (from 12% to 6.5%). On the DocILE benchmark (600 annotated + 20000 unannotated documents), QUEST achieves a 50% F1 score (up from 42%) and reduces empty predictions by 19% (from 27% to 22%). The framework's interpretable quality assessments and robustness to annotation scarcity make it particularly suited for business documents, where structural consistency and data completeness are paramount.
The development of high-quality datasets is crucial for benchmarking and advancing research in Graphical User Interface (GUI) agents. Despite their importance, existing datasets are often constructed under idealized conditions, overlooking the diverse anomalies frequently encountered in real-world deployments. To address this limitation, we introduce GUI-Robust, a novel dataset designed for comprehensive GUI agent evaluation, explicitly incorporating seven common types of anomalies observed in everyday GUI interactions. Furthermore, we propose a semi-automated dataset construction paradigm that collects user action sequences from natural interactions via RPA tools and then generate corresponding step and task descriptions for these actions with the assistance of MLLMs. This paradigm significantly reduces annotation time cost by a factor of over 19 times. Finally, we assess state-of-the-art GUI agents using the GUI-Robust dataset, revealing their substantial performance degradation in abnormal scenarios. We anticipate that our work will highlight the importance of robustness in GUI agents and inspires more future research in this direction. The dataset and code are available at https://github.com/chessbean1/GUI-Robust..
Accurate electrical consumption forecasting is crucial for efficient energy management and resource allocation. While traditional time series forecasting relies on historical patterns and temporal dependencies, incorporating external factors -- such as weather indicators -- has shown significant potential for improving prediction accuracy in complex real-world applications. However, the inclusion of these additional features often degrades the performance of global predictive models trained on entire populations, despite improving individual household-level models. To address this challenge, we found that a hypernetwork architecture can effectively leverage external factors to enhance the accuracy of global electrical consumption forecasting models, by specifically adjusting the model weights to each consumer. We collected a comprehensive dataset spanning two years, comprising consumption data from over 6000 luxembourgish households and corresponding external factors such as weather indicators, holidays, and major local events. By comparing various forecasting models, we demonstrate that a hypernetwork approach outperforms existing methods when associated to external factors, reducing forecasting errors and achieving the best accuracy while maintaining the benefits of a global model.
As one of the most detrimental code smells, code clones significantly increase software maintenance costs and heighten vulnerability risks, making their detection a critical challenge in software engineering. Abstract Syntax Trees (ASTs) dominate deep learning-based code clone detection due to their precise syntactic structure representation, but they inherently lack semantic depth. Recent studies address this by enriching AST-based representations with semantic graphs, such as Control Flow Graphs (CFGs) and Data Flow Graphs (DFGs). However, the effectiveness of various enriched AST-based representations and their compatibility with different graph-based machine learning techniques remains an open question, warranting further investigation to unlock their full potential in addressing the complexities of code clone detection. In this paper, we present a comprehensive empirical study to rigorously evaluate the effectiveness of AST-based hybrid graph representations in Graph Neural Network (GNN)-based code clone detection. We systematically compare various hybrid representations ((CFG, DFG, Flow-Augmented ASTs (FA-AST)) across multiple GNN architectures. Our experiments reveal that hybrid representations impact GNNs differently: while AST+CFG+DFG consistently enhances accuracy for convolution- and attention-based models (Graph Convolutional Networks (GCN), Graph Attention Networks (GAT)), FA-AST frequently introduces structural complexity that harms performance. Notably, GMN outperforms others even with standard AST representations, highlighting its superior cross-code similarity detection and reducing the need for enriched structures.
Recurrent spiking neural networks (RSNNs) can be implemented very efficiently in neuromorphic systems. Nevertheless, training of these models with powerful gradient-based learning algorithms is mostly performed on standard digital hardware using Backpropagation through time (BPTT). However, BPTT has substantial limitations. It does not permit online training and its memory consumption scales linearly with the number of computation steps. In contrast, learning methods using forward propagation of gradients operate in an online manner with a memory consumption independent of the number of time steps. These methods enable SNNs to learn from continuous, infinite-length input sequences. Yet, slow execution speed on conventional hardware as well as inferior performance has hindered their widespread application. In this work, we introduce HYbrid PRopagation (HYPR) that combines the efficiency of parallelization with approximate online forward learning. Our algorithm yields high-throughput online learning through parallelization, paired with constant, i.e., sequence length independent, memory demands. HYPR enables parallelization of parameter update computation over the sub sequences for RSNNs consisting of almost arbitrary non-linear spiking neuron models. We apply HYPR to networks of spiking neurons with oscillatory subthreshold dynamics. We find that this type of neuron model is particularly well trainable by HYPR, resulting in an unprecedentedly low task performance gap between approximate forward gradient learning and BPTT.
Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embeddings with lower distortion, hyperbolic neural networks offer promising alternatives to Euclidean-based models for capturing intricate data structures. Despite these advantages, they often face performance challenges, particularly in computational efficiency and tasks requiring high precision. In this work, we address these limitations by simplifying key operations within hyperbolic neural networks, achieving notable improvements in both runtime and performance. Our findings demonstrate that streamlined hyperbolic operations can lead to substantial gains in computational speed and predictive accuracy, making hyperbolic neural networks a more viable choice for a broader range of applications.