Artificial intelligence (AI) systems in high-stakes domains raise concerns about proxy discrimination, unfairness, and explainability. Existing audits often fail to reveal why unfairness arises, particularly when rooted in structural bias. We propose a novel framework using formal abductive explanations to explain proxy discrimination in individual AI decisions. Leveraging background knowledge, our method identifies which features act as unjustified proxies for protected attributes, revealing hidden structural biases. Central to our approach is the concept of aptitude, a task-relevant property independent of group membership, with a mapping function aligning individuals of equivalent aptitude across groups to assess fairness substantively. As a proof of concept, we showcase the framework with examples taken from the German credit dataset, demonstrating its applicability in real-world cases.

Predicting the spread of wildfires is essential for effective fire management and risk assessment. With the fast advancements of artificial intelligence (AI), various deep learning models have been developed and utilized for wildfire spread prediction. However, there is limited understanding of the advantages and limitations of these models, and it is also unclear how deep learning-based fire spread models can be compared with existing non-AI fire models. In this work, we assess the ability of five typical deep learning models integrated with weather and environmental variables for wildfire spread prediction based on over ten years of wildfire data in the state of Hawaii. We further use the 2023 Maui fires as a case study to compare the best deep learning models with a widely-used fire spread model, FARSITE. The results show that two deep learning models, i.e., ConvLSTM and ConvLSTM with attention, perform the best among the five tested AI models. FARSITE shows higher precision, lower recall, and higher F1-score than the best AI models, while the AI models offer higher flexibility for the input data. By integrating AI models with an explainable AI method, we further identify important weather and environmental factors associated with the 2023 Maui wildfires.

We have convinced ourselves that the way to make AI safe is to make it unsafe. Since 2022, policymakers worldwide have embraced the Regulation Sacrifice - the belief that dismantling safety oversight will deliver security through AI dominance. Fearing China or USA will gain advantage, nations rush to eliminate safeguards that might slow progress. This Essay reveals the fatal flaw: though AI poses national security challenges, the solution demands stronger regulatory frameworks, not weaker ones. A race without guardrails breeds shared danger, not competitive strength. The Regulation Sacrifice makes three false promises. First, it promises durable technological leads. But AI capabilities spread rapidly - performance gaps between U.S. and Chinese systems collapsed from 9 percent to 2 percent in thirteen months. When advantages evaporate in months, sacrificing permanent safety for temporary speed makes no sense. Second, it promises deregulation accelerates innovation. The opposite often proves true. Companies report well-designed governance streamlines development. Investment flows toward regulated markets. Clear rules reduce uncertainty; uncertain liability creates paralysis. Environmental standards did not kill the auto industry; they created Tesla and BYD. Third, enhanced national security through deregulation actually undermines security across all timeframes. Near term: it hands adversaries information warfare tools. Medium term: it democratizes bioweapon capabilities. Long term: it guarantees deployment of uncontrollable AGI systems. The Regulation Sacrifice persists because it serves powerful interests, not security. Tech companies prefer freedom to accountability. Politicians prefer simple stories to complex truths. This creates mutually assured deregulation, where each nation's sprint for advantage guarantees collective vulnerability. The only way to win is not to play.

Autonomous agents in safety-critical applications must continuously adapt to dynamic conditions without compromising performance and reliability. This work introduces TAPA (Training-free Adaptation of Programmatic Agents), a novel framework that positions large language models (LLMs) as intelligent moderators of the symbolic action space. Unlike prior programmatic agents typically generate a monolithic policy program or rely on fixed symbolic action sets, TAPA synthesizes and adapts modular programs for individual high-level actions, referred to as logical primitives. By decoupling strategic intent from execution, TAPA enables meta-agents to operate over an abstract, interpretable action space while the LLM dynamically generates, composes, and refines symbolic programs tailored to each primitive. Extensive experiments across cybersecurity and swarm intelligence domains validate TAPA's effectiveness. In autonomous DDoS defense scenarios, TAPA achieves 77.7% network uptime while maintaining near-perfect detection accuracy in unknown dynamic environments. In swarm intelligence formation control under environmental and adversarial disturbances, TAPA consistently preserves consensus at runtime where baseline methods fail. This work promotes a paradigm shift for autonomous system design in evolving environments, from policy adaptation to dynamic action adaptation.

Abstract--Noisy self-reported empathy scores challenge supervised learning for empathy regression. While many algorithms have been proposed for learning with noisy labels in textual classification problems, the regression counterpart is relatively under-explored. We propose UPLME, an uncertainty-aware probabilistic language modelling framework to capture label noise in empathy regression tasks. One of the novelties in UPLME is a probabilistic language model that predicts both empathy scores and heteroscedastic uncertainty, and is trained using Bayesian concepts with variational model ensembling. We further introduce two novel loss components: one penalises degenerate Uncertainty Quantification (UQ), and another enforces similarity between the input pairs on which empathy is being predicted. UPLME achieves state-of-the-art performance (Pearson Correlation Coefficient: 0.558 0.580 and 0.629 0.634) in terms of the performance reported in the literature on two public benchmarks with label noise. Through synthetic label noise injection, we demonstrate that UPLME is effective in distinguishing between noisy and clean samples based on the predicted uncertainty. UPLME further outperform (Calibration error: 0.571 0.376) a recent variational model ensembling-based UQ method designed for regression problems.

The disconnect between AI-generated molecules with desirable properties and their synthetic feasibility remains a critical bottleneck in computational discovery of drugs and materials. While generative AI has accelerated the proposal of candidate molecules, many of these structures prove challenging or impossible to synthesize using established chemical reactions. Here, we introduce SynTwins, a novel retrosynthesis-guided molecule design framework that finds synthetically accessible molecular analogs by emulating expert chemists' strategies in three steps: retrosynthesis, searching similar building blocks, and virtual synthesis. Using a search algorithm instead of a stochastic data-driven generator, SynTwins outperforms state-of-the-art machine learning models at exploring synthetically accessible analogs while maintaining high structural similarity to original target molecules. Furthermore, when integrated into existing molecular property-optimization frameworks, our hybrid approach produces synthetically feasible analogs with minimal loss in property scores. Our comprehensive benchmarking across diverse molecular datasets demonstrates that SynTwins effectively bridges the gap between computational design and experimental synthesis, providing a practical solution for accelerating the discovery of synthesizable molecules with desired properties for a wide range of applications.

Large Language Models (LLMs) equipped with modern Retrieval-Augmented Generation (RAG) systems often employ multi-turn interaction pipelines to interface with search engines for complex reasoning tasks. However, such multi-turn interactions inevitably produce long intermediate contexts, as context length grows exponentially with exploration depth. This leads to a well-known limitation of LLMs: their difficulty in effectively leveraging information from long contexts. This problem is further amplified in RAG systems that depend on in-context learning, where few-shot demonstrations must also be included in the prompt, compounding the context-length bottleneck. To address these challenges, we propose Mujica-MyGo, a unified framework for efficient multi-turn reasoning in RAG. Inspired by the divide-and-conquer principle, we introduce Mujica (Multi-hop Joint Intelligence for Complex Question Answering), a multi-agent RAG workflow that decomposes multi-turn interactions into cooperative sub-interactions, thereby mitigating long-context issues. To eliminate the dependency on in-context learning, we further develop MyGO (Minimalist Policy Gradient Optimization), a lightweight and efficient reinforcement learning algorithm that enables effective post-training of LLMs within complex RAG pipelines. We provide theoretical guarantees for MyGO's convergence to the optimal policy. Empirical evaluations across diverse question-answering benchmarks, covering both text corpora and knowledge graphs, show that Mujica-MyGO achieves superior performance.

Computing partial differential equation (PDE) operators via nested backpropagation is expensive, yet popular, and severely restricts their utility for scientific machine learning. Recent advances, like the forward Laplacian and randomizing Taylor mode automatic differentiation (AD), propose forward schemes to address this. We introduce an optimization technique for Taylor mode that 'collapses' derivatives by rewriting the computational graph, and demonstrate how to apply it to general linear PDE operators, and randomized Taylor mode. The modifications simply require propagating a sum up the computational graph, which could -- or should -- be done by a machine learning compiler, without exposing complexity to users. We implement our collapsing procedure and evaluate it on popular PDE operators, confirming it accelerates Taylor mode and outperforms nested backpropagation.

Federated learning (FL) enables learning a global machine learning model from local data distributed among a set of participating workers. This makes it possible i) to train more accurate models due to learning from rich joint training data, and ii) to improve privacy by not sharing the workers' local private data with others. However, the distributed nature of FL makes it vulnerable to targeted poisoning attacks that negatively impact the integrity of the learned model while, unfortunately, being difficult to detect. Existing defenses against those attacks are limited by assumptions on the workers' data distribution, may degrade the global model performance on the main task and/or are ill-suited to high-dimensional models. In this paper, we analyze targeted attacks against FL and find that the neurons in the last layer of a deep learning (DL) model that are related to the attacks exhibit a different behavior from the unrelated neurons, making the last-layer gradients valuable features for attack detection. Accordingly, we propose \textit{FL-Defender} as a method to combat FL targeted attacks. It consists of i) engineering more robust discriminative features by calculating the worker-wise angle similarity for the workers' last-layer gradients, ii) compressing the resulting similarity vectors using PCA to reduce redundant information, and iii) re-weighting the workers' updates based on their deviation from the centroid of the compressed similarity vectors. Experiments on three data sets with different DL model sizes and data distributions show the effectiveness of our method at defending against label-flipping and backdoor attacks. Compared to several state-of-the-art defenses, FL-Defender achieves the lowest attack success rates, maintains the performance of the global model on the main task and causes minimal computational overhead on the server.

Large language models offer opportunities to simulate multi-party deliberation, but realistic modeling remains limited by a lack of speaker-attributed data. Transcripts produced via automatic speech recognition (ASR) assign anonymous speaker labels (e.g., Speaker_1), preventing models from capturing consistent human behavior. This work introduces a reproducible pipeline to transform public Zoom recordings into speaker-attributed transcripts with metadata like persona profiles and pragmatic action tags (e.g., [propose_motion]). We release three local government deliberation datasets: Appellate Court hearings, School Board meetings, and Municipal Council sessions. Fine-tuning LLMs to model specific participants using this "action-aware" data produces a 67% reduction in perplexity and nearly doubles classifier-based performance metrics for speaker fidelity and realism. Turing-style human evaluations show our simulations are often indistinguishable from real deliberations, providing a practical and scalable method for complex realistic civic simulations.