Deep Learning
FS-DAG: Few Shot Domain Adapting Graph Networks for Visually Rich Document Understanding
Agarwal, Amit, Panda, Srikant, Pachauri, Kulbhushan
In this work, we propose Few Shot Domain Adapting Graph (FS-DAG), a scalable and efficient model architecture for visually rich document understanding (VRDU) in few-shot settings. FS-DAG leverages domain-specific and language/vision specific backbones within a modular framework to adapt to diverse document types with minimal data. The model is robust to practical challenges such as handling OCR errors, misspellings, and domain shifts, which are critical in real-world deployments. FS-DAG is highly performant with less than 90M parameters, making it well-suited for complex real-world applications for Information Extraction (IE) tasks where computational resources are limited. We demonstrate FS-DAG's capability through extensive experiments for information extraction task, showing significant improvements in convergence speed and performance compared to state-of-the-art methods. Additionally, this work highlights the ongoing progress in developing smaller, more efficient models that do not compromise on performance. Code : https://github.com/oracle-samples/fs-dag
IFEval-Audio: Benchmarking Instruction-Following Capability in Audio-based Large Language Models
Gao, Yiming, Wang, Bin, Wei, Chengwei, Sun, Shuo, Aw, AiTi
Large language models (LLMs) have demonstrated strong instruction-following capabilities in text-based tasks. However, this ability often deteriorates in multimodal models after alignment with non-text modalities such as images or audio. While several recent efforts have investigated instruction-following performance in text and vision-language models, instruction-following in audio-based large language models remains largely unexplored. To bridge this gap, we introduce IFEval-Audio, a novel evaluation dataset designed to assess the ability to follow instructions in an audio LLM. IFEval-Audio contains 280 audio-instruction-answer triples across six diverse dimensions: Content, Capitalization, Symbol, List Structure, Length, and Format. Each example pairs an audio input with a text instruction, requiring the model to generate an output that follows a specified structure. We benchmark state-of-the-art audio LLMs on their ability to follow audio-involved instructions. The dataset is released publicly to support future research in this emerging area.
Trajectory Bellman Residual Minimization: A Simple Value-Based Method for LLM Reasoning
Yuan, Yurun, Chen, Fan, Jia, Zeyu, Rakhlin, Alexander, Xie, Tengyang
Policy-based methods currently dominate reinforcement learning (RL) pipelines for large language model (LLM) reasoning, leaving value-based approaches largely unexplored. We revisit the classical paradigm of Bellman Residual Minimization and introduce Trajectory Bellman Residual Minimization (TBRM), an algorithm that naturally adapts this idea to LLMs, yielding a simple yet effective off-policy algorithm that optimizes a single trajectory-level Bellman objective using the model's own logits as $Q$-values. TBRM removes the need for critics, importance-sampling ratios, or clipping, and operates with only one rollout per prompt. We prove convergence to the near-optimal KL-regularized policy from arbitrary off-policy data via an improved change-of-trajectory-measure analysis. Experiments on standard mathematical-reasoning benchmarks show that TBRM consistently outperforms policy-based baselines, like PPO and GRPO, with comparable or lower computational and memory overhead. Our results indicate that value-based RL might be a principled and efficient alternative for enhancing reasoning capabilities in LLMs.
Navigating the Alpha Jungle: An LLM-Powered MCTS Framework for Formulaic Factor Mining
Shi, Yu, Duan, Yitong, Li, Jian
Alpha factor mining is pivotal in quantitative investment for identifying predictive signals from complex financial data. While traditional formulaic alpha mining relies on human expertise, contemporary automated methods, such as those based on genetic programming or reinforcement learning, often struggle with search inefficiency or yield alpha factors that are difficult to interpret. This paper introduces a novel framework that integrates Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS) to overcome these limitations. Our framework leverages the LLM's instruction-following and reasoning capability to iteratively generate and refine symbolic alpha formulas within an MCTS-driven exploration. A key innovation is the guidance of MCTS exploration by rich, quantitative feedback from financial backtesting of each candidate factor, enabling efficient navigation of the vast search space. Furthermore, a frequent subtree avoidance mechanism is introduced to enhance search diversity and prevent formulaic homogenization, further improving performance. Experimental results on real-world stock market data demonstrate that our LLM-based framework outperforms existing methods by mining alphas with superior predictive accuracy and trading performance. The resulting formulas are also more amenable to human interpretation, establishing a more effective and efficient paradigm for formulaic alpha mining.
Trends in Motion Prediction Toward Deployable and Generalizable Autonomy: A Revisit and Perspectives
Wang, Letian, Lavoie, Marc-Antoine, Papais, Sandro, Nisar, Barza, Chen, Yuxiao, Ding, Wenhao, Ivanovic, Boris, Shao, Hao, Abuduweili, Abulikemu, Cook, Evan, Zhou, Yang, Karkus, Peter, Li, Jiachen, Liu, Changliu, Pavone, Marco, Waslander, Steven
Motion prediction, recently popularized under the term world models, refers to anticipating the future states of agents or the future evolution of a scene, which is rooted in human cognition to bridge perception and decision-making, enabling us to anticipate, adapt, and act within an ever-changing world. It lies at the core of intelligent autonomous systems, such as robotics and self-driving cars, to safely operate in dynamic and human-robot-mixed environments, and also informs broader time-series challenges. With advances in methods, representations, and datasets, the field has seen rapid progress, reflected in rapidly updated benchmark performance. However, when state-of-the-art methods are deployed in the real world, they are often found to struggle to generalize to open-world settings and fall short of deployment standards. This reveals a gap between reality and benchmarks, which are often idealized or ill-posed, and fail to capture real-world complexity. To address the pressing need for problem settings that better reflect real-world challenges and guide future research, this paper focuses on revisiting the generalization and applicability of motion prediction models, with an emphasis on robotics, autonomous driving, and human motion applications. We first provide a comprehensive taxonomy of motion prediction methods, covering representations, modelling methods, application domains, and evaluation protocols. We then revisit two fundamental problems: 1) how to push motion prediction models to be deployable to realistic deployment standards, where motion prediction does not act in a vacuum, but functions as one module of closed-loop autonomy stacks - it takes input from the localization and perception, and informs downstream planning and control.
DataSentinel: A Game-Theoretic Detection of Prompt Injection Attacks
Liu, Yupei, Jia, Yuqi, Jia, Jinyuan, Song, Dawn, Gong, Neil Zhenqiang
LLM-integrated applications and agents-such as Bing Copilot [1], Google search with AI overviews [2], and Amazon's review highlights [3]-are emerging applications built upon large language models (LLMs). The growing popularity of LLM-integrated applications has led to the emergence of app stores, such as OpenAI's GPT Store and Poe [4], where developers can publish their LLMintegrated applications and users can access them, much like the Google Play and App Store for mobile apps. In general, an LLM-integrated application intends to perform a task (referred to as target task), such as webpage summarization in AI-assisted search. Towards this goal, an LLM-integrated application takes a prompt, which is the concatenation of an instruction (referred to as target instruction) and data (referred to as target data), as an input to query the backend LLM, whose response would solve the target task. The target instruction is often designed by an application developer to direct the backend LLM to perform the target task, while the data is the information to be processed by the backend LLM and is usually from an external source, e.g., the Internet. For instance, when the target task is webpage summarization in AI-assisted search, the target instruction can be "Please summarize the following web pages: [Text from relevant web pages].",
3D-TDA -- Topological feature extraction from 3D images for Alzheimer's disease classification
Ahmed, Faisal, Akan, Taymaz, Gelir, Fatih, Carmichael, Owen T., Disbrow, Elizabeth A., Conrad, Steven A., Bhuiyan, Mohammad A. N.
Now that disease-modifying therapies for Alzheimer disease have been approved by regulatory agencies, the early, objective, and accurate clinical diagnosis of AD based on the lowest-cost measurement modalities possible has become an increasingly urgent need. In this study, we propose a novel feature extraction method using persistent homology to analyze structural MRI of the brain. This approach converts topological features into powerful feature vectors through Betti functions. By integrating these feature vectors with a simple machine learning model like XGBoost, we achieve a computationally efficient machine learning model. Our model outperforms state-of-the-art deep learning models in both binary and three-class classification tasks for ADNI 3D MRI disease diagnosis. Using 10-fold cross-validation, our model achieved an average accuracy of 97.43 percent and sensitivity of 99.09 percent for binary classification. For three-class classification, it achieved an average accuracy of 95.47 percent and sensitivity of 94.98 percent. Unlike many deep learning models, our approach does not require data augmentation or extensive preprocessing, making it particularly suitable for smaller datasets. Topological features differ significantly from those commonly extracted using convolutional filters and other deep learning machinery. Because it provides an entirely different type of information from machine learning models, it has the potential to combine topological features with other models later on.
From Confusion to Clarity: ProtoScore -- A Framework for Evaluating Prototype-Based XAI
Monke, Helena, Sae-Chew, Benjamin, Fresz, Benjamin, Huber, Marco F.
The complexity and opacity of neural networks (NNs) pose significant challenges, particularly in high-stakes fields such as healthcare, finance, and law, where understanding decision-making processes is crucial. To address these issues, the field of explainable artificial intelligence (XAI) has developed various methods aimed at clarifying AI decision-making, thereby facilitating appropriate trust and validating the fairness of outcomes. Among these methods, prototype-based explanations offer a promising approach that uses representative examples to elucidate model behavior. However, a critical gap exists regarding standardized benchmarks to objectively compare prototype-based XAI methods, especially in the context of time series data. This lack of reliable benchmarks results in subjective evaluations, hindering progress in the field. We aim to establish a robust framework, ProtoScore, for assessing prototype-based XAI methods across different data types with a focus on time series data, facilitating fair and comprehensive evaluations. By integrating the Co-12 properties of Nauta et al., this framework allows for effectively comparing prototype methods against each other and against other XAI methods, ultimately assisting practitioners in selecting appropriate explanation methods while minimizing the costs associated with user studies. All code is publicly available at https://github.com/HelenaM23/ProtoScore .
MADD: Multi-Agent Drug Discovery Orchestra
Solovev, Gleb V., Zhidkovskaya, Alina B., Orlova, Anastasia, Gubina, Nina, Vepreva, Anastasia, Golovinskii, Rodion, Tonkii, Ilya, Dubrovsky, Ivan, Gurev, Ivan, Gilemkhanov, Dmitry, Chistiakov, Denis, Aliev, Timur A., Poddiakov, Ivan, Zubkova, Galina, Skorb, Ekaterina V., Vinogradov, Vladimir, Boukhanovsky, Alexander, Nikitin, Nikolay, Dmitrenko, Andrei, Kalyuzhnaya, Anna, Savchenko, Andrey
Hit identification is a central challenge in early drug discovery, traditionally requiring substantial experimental resources. Recent advances in artificial intelligence, particularly large language models (LLMs), have enabled virtual screening methods that reduce costs and improve efficiency. However, the growing complexity of these tools has limited their accessibility to wet-lab researchers. Multi-agent systems offer a promising solution by combining the interpretability of LLMs with the precision of specialized models and tools. In this work, we present MADD, a multi-agent system that builds and executes customized hit identification pipelines from natural language queries. MADD employs four coordinated agents to handle key subtasks in de novo compound generation and screening. We evaluate MADD across seven drug discovery cases and demonstrate its superior performance compared to existing LLM-based solutions. Using MADD, we pioneer the application of AI-first drug design to five biological targets and release the identified hit molecules. Finally, we introduce a new benchmark of query-molecule pairs and docking scores for over three million compounds to contribute to the agentic future of drug design.
PRISM: Privacy-preserving Inference System with Homomorphic Encryption and Modular Activation
Elkhatib, Zeinab, Sekmen, Ali, Hasan, Kamrul
Abstract--With the rapid advancements in machine learning, models have become increasingly capable of learning and making predictions in various industries. However, deploying these models in critical infrastructures presents a major challenge, as concerns about data privacy prevent unrestricted data sharing. Homomor-phic encryption (HE) offers a solution by enabling computations on encrypted data, but it remains incompatible with machine learning models like convolutional neural networks (CNNs), due to their reliance on non-linear activation functions. T o bridge this gap, this work proposes an optimized framework that replaces standard non-linear functions with homomorphically compatible approximations, ensuring secure computations while minimizing computational overhead. The proposed approach restructures the CNN architecture and introduces an efficient activation function approximation method to mitigate the performance trade-offs introduced by encryption. Experiments on CIF AR-10 achieve 94.4% accuracy with 2.42 s per single encrypted sample and 24,000 s per 10,000 encrypted samples, using a degree-4 polynomial and Softplus activation under CKKS, balancing accuracy and privacy. Neural networks have demonstrated remarkable predictive performance and delivered innovative solutions across a broad spectrum of domains.