Learning Graphical Models
Audio-FLAN: A Preliminary Release
Xue, Liumeng, Zhou, Ziya, Pan, Jiahao, Li, Zixuan, Fan, Shuai, Ma, Yinghao, Cheng, Sitong, Yang, Dongchao, Guo, Haohan, Xiao, Yujia, Wang, Xinsheng, Shen, Zixuan, Zhu, Chuanbo, Zhang, Xinshen, Liu, Tianchi, Yuan, Ruibin, Tian, Zeyue, Liu, Haohe, Benetos, Emmanouil, Zhang, Ge, Guo, Yike, Xue, Wei
Recent advancements in audio tokenization have significantly enhanced the integration of audio capabilities into large language models (LLMs). However, audio understanding and generation are often treated as distinct tasks, hindering the development of truly unified audio-language models. While instruction tuning has demonstrated remarkable success in improving generalization and zero-shot learning across text and vision, its application to audio remains largely unexplored. A major obstacle is the lack of comprehensive datasets that unify audio understanding and generation. To address this, we introduce Audio-FLAN, a large-scale instruction-tuning dataset covering 80 diverse tasks across speech, music, and sound domains, with over 100 million instances. Audio-FLAN lays the foundation for unified audio-language models that can seamlessly handle both understanding (e.g., transcription, comprehension) and generation (e.g., speech, music, sound) tasks across a wide range of audio domains in a zero-shot manner. The Audio-FLAN dataset is available on HuggingFace and GitHub and will be continuously updated.
Finite-Sample Analysis of Policy Evaluation for Robust Average Reward Reinforcement Learning
Xu, Yang, Mondal, Washim Uddin, Aggarwal, Vaneet
We present the first finite-sample analysis for policy evaluation in robust average-reward Markov Decision Processes (MDPs). Prior works in this setting have established only asymptotic convergence guarantees, leaving open the question of sample complexity. In this work, we address this gap by establishing that the robust Bellman operator is a contraction under the span semi-norm, and developing a stochastic approximation framework with controlled bias. Our approach builds upon Multi-Level Monte Carlo (MLMC) techniques to estimate the robust Bellman operator efficiently. To overcome the infinite expected sample complexity inherent in standard MLMC, we introduce a truncation mechanism based on a geometric distribution, ensuring a finite constant sample complexity while maintaining a small bias that decays exponentially with the truncation level. Our method achieves the order-optimal sample complexity of $\tilde{\mathcal{O}}(\epsilon^{-2})$ for robust policy evaluation and robust average reward estimation, marking a significant advancement in robust reinforcement learning theory.
A Review of Causal Decision Making
Ge, Lin, Cai, Hengrui, Wan, Runzhe, Xu, Yang, Song, Rui
To make effective decisions, it is important to have a thorough understanding of the causal relationships among actions, environments, and outcomes. This review aims to surface three crucial aspects of decision-making through a causal lens: 1) the discovery of causal relationships through causal structure learning, 2) understanding the impacts of these relationships through causal effect learning, and 3) applying the knowledge gained from the first two aspects to support decision making via causal policy learning. Moreover, we identify challenges that hinder the broader utilization of causal decision-making and discuss recent advances in overcoming these challenges. Finally, we provide future research directions to address these challenges and to further enhance the implementation of causal decision-making in practice, with real-world applications illustrated based on the proposed causal decision-making. We aim to offer a comprehensive methodology and practical implementation framework by consolidating various methods in this area into a Python-based collection. URL: https://causaldm.github.io/Causal-Decision-Making.
Auto-ADMET: An Effective and Interpretable AutoML Method for Chemical ADMET Property Prediction
de Sá, Alex G. C., Ascher, David B.
Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug discovery is to build quantitative structure-activity relationship (QSAR) models, associating the molecular structure of chemical compounds with an activity or property. These properties -- including absorption, distribution, metabolism, excretion and toxicity (ADMET) -- are essential to model compound behaviour, activity and interactions in the organism. Although several methods exist, the majority of them do not provide an appropriate model's personalisation, yielding to bias and lack of generalisation to new data since the chemical space usually shifts from application to application. This fact leads to low predictive performance when completely new data is being tested by the model. The area of Automated Machine Learning (AutoML) emerged aiming to solve this issue, outputting tailored ML algorithms to the data at hand. Although an important task, AutoML has not been practically used to assist cheminformatics and computational chemistry researchers often, with just a few works related to the field. To address these challenges, this work introduces Auto-ADMET, an interpretable evolutionary-based AutoML method for chemical ADMET property prediction. Auto-ADMET employs a Grammar-based Genetic Programming (GGP) method with a Bayesian Network Model to achieve comparable or better predictive performance against three alternative methods -- standard GGP method, pkCSM and XGBOOST model -- on 12 benchmark chemical ADMET property prediction datasets. The use of a Bayesian Network model on Auto-ADMET's evolutionary process assisted in both shaping the search procedure and interpreting the causes of its AutoML performance.
Network Tomography with Path-Centric Graph Neural Network
Hu, Yuntong, Wang, Junxiang, Zhao, Liang
Network tomography is a crucial problem in network monitoring, where the observable path performance metric values are used to infer the unobserved ones, making it essential for tasks such as route selection, fault diagnosis, and traffic control. However, most existing methods either assume complete knowledge of network topology and metric formulas-an unrealistic expectation in many real-world scenarios with limited observability-or rely entirely on black-box end-to-end models. To tackle this, in this paper, we argue that a good network tomography requires synergizing the knowledge from both data and appropriate inductive bias from (partial) prior knowledge. To see this, we propose Deep Network Tomography (DeepNT), a novel framework that leverages a path-centric graph neural network to predict path performance metrics without relying on predefined hand-crafted metrics, assumptions, or the real network topology. The path-centric graph neural network learns the path embedding by inferring and aggregating the embeddings of the sequence of nodes that compose this path. Training path-centric graph neural networks requires learning the neural netowrk parameters and network topology under discrete constraints induced by the observed path performance metrics, which motivates us to design a learning objective that imposes connectivity and sparsity constraints on topology and path performance triangle inequality on path performance. Extensive experiments on real-world and synthetic datasets demonstrate the superiority of DeepNT in predicting performance metrics and inferring graph topology compared to state-of-the-art methods.
Quadruped Robot Simulation Using Deep Reinforcement Learning -- A step towards locomotion policy
Jadoon, Nabeel Ahmad Khan, Ekpanyapong, Mongkol
We present a novel reinforcement learning method to train the quadruped robot in a simulated environment. The idea of controlling quadruped robots in a dynamic environment is quite challenging and my method presents the optimum policy and training scheme with limited resources and shows considerable performance. The report uses the raisimGymTorch open-source library and proprietary software RaiSim for the simulation of ANYmal robot. My approach is centered on formulating Markov decision processes using the evaluation of the robot walking scheme while training. Resulting MDPs are solved using a proximal policy optimization algorithm used in actor-critic mode and collected thousands of state transitions with a single desktop machine. This work also presents a controller scheme trained over thousands of time steps shown in a simulated environment. This work also sets the base for early-stage researchers to deploy their favorite algorithms and configurations. Keywords: Legged robots, deep reinforcement learning, quadruped robot simulation, optimal control
Toward a Flexible Framework for Linear Representation Hypothesis Using Maximum Likelihood Estimation
Linear representation hypothesis posits that high-level concepts are encoded as linear directions in the representation spaces of LLMs. Park et al. (2024) formalize this notion by unifying multiple interpretations of linear representation, such as 1-dimensional subspace representation and interventions, using a causal inner product. However, their framework relies on single-token counterfactual pairs and cannot handle ambiguous contrasting pairs, limiting its applicability to complex or context-dependent concepts. We introduce a new notion of binary concepts as unit vectors in a canonical representation space, and utilize LLMs' (neural) activation differences along with maximum likelihood estimation (MLE) to compute concept directions (i.e., steering vectors). Our method, Sum of Activation-base Normalized Difference (SAND), formalizes the use of activation differences modeled as samples from a von Mises-Fisher (vMF) distribution, providing a principled approach to derive concept directions. We extend the applicability of Park et al. (2024) by eliminating the dependency on unembedding representations and single-token pairs. Through experiments with LLaMA models across diverse concepts and benchmarks, we demonstrate that our lightweight approach offers greater flexibility, superior performance in activation engineering tasks like monitoring and manipulation.
Does Your AI Agent Get You? A Personalizable Framework for Approximating Human Models from Argumentation-based Dialogue Traces
Tang, Yinxu, Vasileiou, Stylianos Loukas, Yeoh, William
Explainable AI is increasingly employing argumentation methods to facilitate interactive explanations between AI agents and human users. While existing approaches typically rely on predetermined human user models, there remains a critical gap in dynamically learning and updating these models during interactions. In this paper, we present a framework that enables AI agents to adapt their understanding of human users through argumentation-based dialogues. Our approach, called Persona, draws on prospect theory and integrates a probability weighting function with a Bayesian belief update mechanism that refines a probability distribution over possible human models based on exchanged arguments. Through empirical evaluations with human users in an applied argumentation setting, we demonstrate that Persona effectively captures evolving human beliefs, facilitates personalized interactions, and outperforms state-of-the-art methods.
Monotonicity Testing of High-Dimensional Distributions with Subcube Conditioning
Chakrabarty, Deeparnab, Chen, Xi, Ristic, Simeon, Seshadhri, C., Waingarten, Erik
We study monotonicity testing of high-dimensional distributions on $\{-1,1\}^n$ in the model of subcube conditioning, suggested and studied by Canonne, Ron, and Servedio~\cite{CRS15} and Bhattacharyya and Chakraborty~\cite{BC18}. Previous work shows that the \emph{sample complexity} of monotonicity testing must be exponential in $n$ (Rubinfeld, Vasilian~\cite{RV20}, and Aliakbarpour, Gouleakis, Peebles, Rubinfeld, Yodpinyanee~\cite{AGPRY19}). We show that the subcube \emph{query complexity} is $\tilde{\Theta}(n/\varepsilon^2)$, by proving nearly matching upper and lower bounds. Our work is the first to use directed isoperimetric inequalities (developed for function monotonicity testing) for analyzing a distribution testing algorithm. Along the way, we generalize an inequality of Khot, Minzer, and Safra~\cite{KMS18} to real-valued functions on $\{-1,1\}^n$. We also study uniformity testing of distributions that are promised to be monotone, a problem introduced by Rubinfeld, Servedio~\cite{RS09} , using subcube conditioning. We show that the query complexity is $\tilde{\Theta}(\sqrt{n}/\varepsilon^2)$. Our work proves the lower bound, which matches (up to poly-logarithmic factors) the uniformity testing upper bound for general distributions (Canonne, Chen, Kamath, Levi, Waingarten~\cite{CCKLW21}). Hence, we show that monotonicity does not help, beyond logarithmic factors, in testing uniformity of distributions with subcube conditional queries.
Risk-Averse Reinforcement Learning: An Optimal Transport Perspective on Temporal Difference Learning
-- The primary goal of reinforcement learning is to develop decision-making policies that prioritize optimal performance, frequently without considering risk or safety. In contrast, safe reinforcement learning seeks to reduce or avoid unsafe states. This letter introduces a risk-averse temporal difference algorithm that uses optimal transport theory to direct the agent toward predictable behavior . By incorporating a risk indicator, the agent learns to favor actions with predictable consequences. We evaluate the proposed algorithm in several case studies and show its effectiveness in the presence of uncertainty. The results demonstrate that our method reduces the frequency of visits to risky states while preserving performance. I. INTRODUCTION Reinforcement learning (RL) algorithms focus on maximizing performance, primarily through long-term reward optimization. However, this objective alone does not always prevent negative or high-risk outcomes.