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Predicting and generating antibiotics against future pathogens with ApexOracle

arXiv.org Artificial Intelligence

Antimicrobial resistance (AMR) is escalating and outpacing current antibiotic development. Thus, discovering antibiotics effective against emerging pathogens is becoming increasingly critical. However, existing approaches cannot rapidly identify effective molecules against novel pathogens or emerging drug-resistant strains. Here, we introduce ApexOracle, an artificial intelligence (AI) model that both predicts the antibacterial potency of existing compounds and designs de novo molecules active against strains it has never encountered. Departing from models that rely solely on molecular features, ApexOracle incorporates pathogen-specific context through the integration of molecular features captured via a foundational discrete diffusion language model and a dual-embedding framework that combines genomic- and literature-derived strain representations. Across diverse bacterial species and chemical modalities, ApexOracle consistently outperformed state-of-the-art approaches in activity prediction and demonstrated reliable transferability to novel pathogens with little or no antimicrobial data. Its unified representation-generation architecture further enables the in silico creation of "new-to-nature" molecules with high predicted efficacy against priority threats. By pairing rapid activity prediction with targeted molecular generation, ApexOracle offers a scalable strategy for countering AMR and preparing for future infectious-disease outbreaks.


A Survey on Latent Reasoning

arXiv.org Artificial Intelligence

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, especially when guided by explicit chain-of-thought (CoT) reasoning that verbalizes intermediate steps. While CoT improves both interpretability and accuracy, its dependence on natural language reasoning limits the model's expressive bandwidth. Latent reasoning tackles this bottleneck by performing multi-step inference entirely in the model's continuous hidden state, eliminating token-level supervision. To advance latent reasoning research, this survey provides a comprehensive overview of the emerging field of latent reasoning. We begin by examining the foundational role of neural network layers as the computational substrate for reasoning, highlighting how hierarchical representations support complex transformations. Next, we explore diverse latent reasoning methodologies, including activation-based recurrence, hidden state propagation, and fine-tuning strategies that compress or internalize explicit reasoning traces. Finally, we discuss advanced paradigms such as infinite-depth latent reasoning via masked diffusion models, which enable globally consistent and reversible reasoning processes. By unifying these perspectives, we aim to clarify the conceptual landscape of latent reasoning and chart future directions for research at the frontier of LLM cognition. An associated GitHub repository collecting the latest papers and repos is available at: https://github.com/multimodal-art-projection/LatentCoT-Horizon/.


When Large Language Models Meet Law: Dual-Lens Taxonomy, Technical Advances, and Ethical Governance

arXiv.org Artificial Intelligence

This paper establishes the first comprehensive review of Large Language Models (LLMs) applied within the legal domain. It pioneers an innovative dual lens taxonomy that integrates legal reasoning frameworks and professional ontologies to systematically unify historical research and contemporary breakthroughs. Transformer-based LLMs, which exhibit emergent capabilities such as contextual reasoning and generative argumentation, surmount traditional limitations by dynamically capturing legal semantics and unifying evidence reasoning. Significant progress is documented in task generalization, reasoning formalization, workflow integration, and addressing core challenges in text processing, knowledge integration, and evaluation rigor via technical innovations like sparse attention mechanisms and mixture-of-experts architectures. However, widespread adoption of LLM introduces critical challenges: hallucination, explainability deficits, jurisdictional adaptation difficulties, and ethical asymmetry. This review proposes a novel taxonomy that maps legal roles to NLP subtasks and computationally implements the Toulmin argumentation framework, thus systematizing advances in reasoning, retrieval, prediction, and dispute resolution. It identifies key frontiers including low-resource systems, multimodal evidence integration, and dynamic rebuttal handling. Ultimately, this work provides both a technical roadmap for researchers and a conceptual framework for practitioners navigating the algorithmic future, laying a robust foundation for the next era of legal artificial intelligence. We have created a GitHub repository to index the relevant papers: https://github.com/Kilimajaro/LLMs_Meet_Law.


On Trustworthy Rule-Based Models and Explanations

arXiv.org Artificial Intelligence

A task of interest in machine learning (ML) is that of ascribing explanations to the predictions made by ML models. Furthermore, in domains deemed high risk, the rigor of explanations is paramount. Indeed, incorrect explanations can and will mislead human decision makers. As a result, and even if interpretability is acknowledged as an elusive concept, so-called interpretable models are employed ubiquitously in high-risk uses of ML and data mining (DM). This is the case for rule-based ML models, which encompass decision trees, diagrams, sets and lists. This paper relates explanations with well-known undesired facets of rule-based ML models, which include negative overlap and several forms of redundancy. The paper develops algorithms for the analysis of these undesired facets of rule-based systems, and concludes that well-known and widely used tools for learning rule-based ML models will induce rule sets that exhibit one or more negative facets.


Position: We Need An Algorithmic Understanding of Generative AI

arXiv.org Artificial Intelligence

What algorithms do LLMs actually learn and use to solve problems? Studies addressing this question are sparse, as research priorities are focused on improving performance through scale, leaving a theoretical and empirical gap in understanding emergent algorithms. This position paper proposes AlgEval: a framework for systematic research into the algorithms that LLMs learn and use. AlgEval aims to uncover algorithmic primitives, reflected in latent representations, attention, and inference-time compute, and their algorithmic composition to solve task-specific problems. We highlight potential methodological paths and a case study toward this goal, focusing on emergent search algorithms. Our case study illustrates both the formation of top-down hypotheses about candidate algorithms, and bottom-up tests of these hypotheses via circuit-level analysis of attention patterns and hidden states. The rigorous, systematic evaluation of how LLMs actually solve tasks provides an alternative to resource-intensive scaling, reorienting the field toward a principled understanding of underlying computations. Such algorithmic explanations offer a pathway to human-understandable interpretability, enabling comprehension of the model's internal reasoning performance measures. This can in turn lead to more sample-efficient methods for training and improving performance, as well as novel architectures for end-to-end and multi-agent systems.


Classifying Emergence in Robot Swarms: An Observer-Dependent Approach

arXiv.org Artificial Intelligence

Emergence and swarms are widely discussed topics, yet no consensus exists on their formal definitions. This lack of agreement makes it difficult not only for new researchers to grasp these concepts, but also for experts who may use the same terms to mean different things. Many attempts have been made to objectively define 'swarm' or 'emergence,' with recent work highlighting the role of the external observer. Still, several researchers argue that once an observer's vantage point (e.g., scope, resolution, context) is established, the terms can be made objective or measured quantitatively. In this note, we propose a framework to discuss these ideas rigorously by separating externally observable states from latent, unobservable ones. This allows us to compare and contrast existing definitions of swarms and emergence on common ground. We argue that these concepts are ultimately subjective-shaped less by the system itself than by the perception and tacit knowledge of the observer. Specifically, we suggest that a 'swarm' is not defined by its group behavior alone, but by the process generating that behavior. Our broader goal is to support the design and deployment of robotic swarm systems, highlighting the critical distinction between multi-robot systems and true swarms.


ViDove: A Translation Agent System with Multimodal Context and Memory-Augmented Reasoning

arXiv.org Artificial Intelligence

LLM-based translation agents have achieved highly human-like translation results and are capable of handling longer and more complex contexts with greater efficiency. However, they are typically limited to text-only inputs. In this paper, we introduce ViDove, a translation agent system designed for multimodal input. Inspired by the workflow of human translators, ViDove leverages visual and contextual background information to enhance the translation process. Additionally, we integrate a multimodal memory system and long-short term memory modules enriched with domain-specific knowledge, enabling the agent to perform more accurately and adaptively in real-world scenarios. As a result, ViDove achieves significantly higher translation quality in both subtitle generation and general translation tasks, with a 28% improvement in BLEU scores and a 15% improvement in SubER compared to previous state-of-the-art baselines. Moreover, we introduce DoveBench, a new benchmark for long-form automatic video subtitling and translation, featuring 17 hours of high-quality, human-annotated data. Our code is available here: https://github.com/pigeonai-org/ViDove


Explainable Artificial Intelligence in Biomedical Image Analysis: A Comprehensive Survey

arXiv.org Artificial Intelligence

Explainable artificial intelligence (XAI) has become increasingly important in biomedical image analysis to promote transparency, trust, and clinical adoption of DL models. While several surveys have reviewed XAI techniques, they often lack a modality-aware perspective, overlook recent advances in multimodal and vision-language paradigms, and provide limited practical guidance. This survey addresses this gap through a comprehensive and structured synthesis of XAI methods tailored to biomedical image analysis.We systematically categorize XAI methods, analyzing their underlying principles, strengths, and limitations within biomedical contexts. A modality-centered taxonomy is proposed to align XAI methods with specific imaging types, highlighting the distinct interpretability challenges across modalities. We further examine the emerging role of multimodal learning and vision-language models in explainable biomedical AI, a topic largely underexplored in previous work. Our contributions also include a summary of widely used evaluation metrics and open-source frameworks, along with a critical discussion of persistent challenges and future directions. This survey offers a timely and in-depth foundation for advancing interpretable DL in biomedical image analysis.


DIFFUMA: High-Fidelity Spatio-Temporal Video Prediction via Dual-Path Mamba and Diffusion Enhancement

arXiv.org Artificial Intelligence

Spatio-temporal video prediction plays a pivotal role in critical domains, ranging from weather forecasting to industrial automation. However, in high-precision industrial scenarios such as semiconductor manufacturing, the absence of specialized benchmark datasets severely hampers research on modeling and predicting complex processes. To address this challenge, we make a twofold contribution.First, we construct and release the Chip Dicing Lane Dataset (CHDL), the first public temporal image dataset dedicated to the semiconductor wafer dicing process. Captured via an industrial-grade vision system, CHDL provides a much-needed and challenging benchmark for high-fidelity process modeling, defect detection, and digital twin development.Second, we propose DIFFUMA, an innovative dual-path prediction architecture specifically designed for such fine-grained dynamics. The model captures global long-range temporal context through a parallel Mamba module, while simultaneously leveraging a diffusion module, guided by temporal features, to restore and enhance fine-grained spatial details, effectively combating feature degradation. Experiments demonstrate that on our CHDL benchmark, DIFFUMA significantly outperforms existing methods, reducing the Mean Squared Error (MSE) by 39% and improving the Structural Similarity (SSIM) from 0.926 to a near-perfect 0.988. This superior performance also generalizes to natural phenomena datasets. Our work not only delivers a new state-of-the-art (SOTA) model but, more importantly, provides the community with an invaluable data resource to drive future research in industrial AI.


Non-Asymptotic Analysis of Online Local Private Learning with SGD

arXiv.org Machine Learning

Differentially Private Stochastic Gradient Descent (DP-SGD) has been widely used for solving optimization problems with privacy guarantees in machine learning and statistics. Despite this, a systematic non-asymptotic convergence analysis for DP-SGD, particularly in the context of online problems and local differential privacy (LDP) models, remains largely elusive. Existing non-asymptotic analyses have focused on non-private optimization methods, and hence are not applicable to privacy-preserving optimization problems. This work initiates the analysis to bridge this gap and opens the door to non-asymptotic convergence analysis of private optimization problems. A general framework is investigated for the online LDP model in stochastic optimization problems. We assume that sensitive information from individuals is collected sequentially and aim to estimate, in real-time, a static parameter that pertains to the population of interest. Most importantly, we conduct a comprehensive non-asymptotic convergence analysis of the proposed estimators in finite-sample situations, which gives their users practical guidelines regarding the effect of various hyperparameters, such as step size, parameter dimensions, and privacy budgets, on convergence rates. Our proposed estimators are validated in the theoretical and practical realms by rigorous mathematical derivations and carefully constructed numerical experiments.