OpenRaiser/Intern-Atlas huggingface dataset:
Provably Efficient Multi-Objective Bandit Algorithms under Preference-Centric Customization
Venue: arXiv cs.LG 2025
Year: 2025

Multi-objective multi-armed bandit (MO-MAB) problems traditionally aim to achieve Pareto optimality. However, real-world scenarios often involve users with varying preferences across objectives, resulting in a Pareto-optimal arm that may score high for one user but perform quite poorly for another. This highlights the need for customized learning, a factor often overlooked in prior research. To address this, we study a preference-aware MO-MAB framework in the presence of explicit user preference. It shifts the focus from achieving Pareto optimality to further optimizing within the Pareto front under preference-centric customization. To our knowledge, this is the first theoretical study of customized MO-MAB optimization with explicit user preferences. Motivated by practical applications, we explore two scenarios: unknown preference and hidden preference, each presenting unique challenges for algorithm design and analysis. At the core of our algorithms are preference estimation and preference-aware optimization mechanisms to adapt to user preferences effectively. We further develop novel analytical techniques to establish near-optimal regret of the proposed algorithms. Strong empirical performance confirm the effectiveness of our approach.
ThinkGuard: Deliberative Slow Thinking Leads to Cautious Guardrails
Venue: arXiv cs.CL 2025
Year: 2025

Ensuring the safety of large language models (LLMs) is critical as they are deployed in real-world applications. Existing guardrails rely on rule-based filtering or single-pass classification, limiting their ability to handle nuanced safety violations. To address this, we propose ThinkGuard, a critique-augmented guardrail model that distills knowledge from high-capacity LLMs by generating structured critiques alongside safety labels. Fine-tuned on critique-augmented data, the captured deliberative thinking ability drastically enhances the guardrail's cautiousness and interpretability. Evaluated on multiple safety benchmarks, ThinkGuard achieves the highest average F1 and AUPRC, outperforming all baselines. Compared to LLaMA Guard 3, ThinkGuard improves accuracy by 16.1% and macro F1 by 27.0%. Moreover, it surpasses label-only fine-tuned models, confirming that structured critiques enhance both classification precision and nuanced safety reasoning while maintaining computational efficiency.
From Features to Graphs: Exploring Graph Structures and Pairwise Interactions via GNNs
Venue: arXiv cs.LG 2025
Year: 2025

Feature interaction is crucial in predictive machine learning models, as it captures the relationships between features that influence model performance. In this work, we focus on pairwise interactions and investigate their importance in constructing feature graphs for Graph Neural Networks (GNNs). We leverage existing GNN models and tools to explore the relationship between feature graph structures and their effectiveness in modeling interactions. Through experiments on synthesized datasets, we uncover that edges between interacting features are important for enabling GNNs to model feature interactions effectively. We also observe that including non-interaction edges can act as noise, degrading model performance. Furthermore, we provide theoretical support for sparse feature graph selection using the Minimum Description Length (MDL) principle. We prove that feature graphs retaining only necessary interaction edges yield a more efficient and interpretable representation than complete graphs, aligning with Occam's Razor. Our findings offer both theoretical insights and practical guidelines for designing feature graphs that improve the performance and interpretability of GNN models.
Integration of Agentic AI with 6G Networks for Mission-Critical Applications: Use-case and Challenges
Venue: arXiv cs.AI 2025
Year: 2025

We are in a transformative era, and advances in Artificial Intelligence (AI), especially the foundational models, are constantly in the news. AI has been an integral part of many applications that rely on automation for service delivery, and one of them is mission-critical public safety applications. The problem with AI-oriented mission-critical applications is the humanin-the-loop system and the lack of adaptability to dynamic conditions while maintaining situational awareness. Agentic AI (AAI) has gained a lot of attention recently due to its ability to analyze textual data through a contextual lens while quickly adapting to conditions. In this context, this paper proposes an AAI framework for mission-critical applications. We propose a novel framework with a multi-layer architecture to realize the AAI. We also present a detailed implementation of AAI layer that bridges the gap between network infrastructure and missioncritical applications. Our preliminary analysis shows that the AAI reduces initial response time by 5.6 minutes on average, while alert generation time is reduced by 15.6 seconds on average and resource allocation is improved by up to 13.4%. We also show that the AAI methods improve the number of concurrent operations by 40, which reduces the recovery time by up to 5.2 minutes. Finally, we highlight some of the issues and challenges that need to be considered when implementing AAI frameworks.
An Enhancement of Cuckoo Search Algorithm for Optimal Earthquake Evacuation Space Allocation in Intramuros, Manila City
Venue: arXiv cs.NE 2025
Year: 2025

The Cuckoo Search Algorithm (CSA), while effective in solving complex optimization problems, faces limitations in random population initialization and reliance on fixed parameters. Random initialization of the population often results in clustered solutions, resulting in uneven exploration of the search space and hindering effective global optimization. Furthermore, the use of fixed values for discovery rate and step size creates a trade-off between solution accuracy and convergence speed. To address these limitations, an Enhanced Cuckoo Search Algorithm (ECSA) is proposed. This algorithm utilizes the Sobol Sequence to generate a more uniformly distributed initial population and incorporates Cosine Annealing with Warm Restarts to dynamically adjust the parameters. The performance of the algorithms was evaluated on 13 benchmark functions (7 unimodal, 6 multimodal). Statistical analyses were conducted to determine the significance and consistency of the results. The ECSA outperforms the CSA in 11 out of 13 benchmark functions with a mean fitness improvement of 30% across all functions, achieving 35% for unimodal functions and 24% for multimodal functions. The enhanced algorithm demonstrated increased convergence efficiency, indicating its superiority to the CSA in solving a variety of optimization problems. The ECSA is subsequently applied to optimize earthquake evacuation space allocation in Intramuros, Manila.
Slant/Gokigen Naname is NP-complete, and Some Variations are in P
Venue: arXiv cs.DM 2025
Year: 2025

In this paper we show that a generalized version of the Nikoli puzzle Slant is NP-complete. We also give polynomial time algorithms for versions of the puzzle where some constraints are omitted. These problems correspond to simultaneously satisfying connectivity and vertex degree constraints in a grid graph and its dual.
Concentration and maximin fair allocations for subadditive valuations
Venue: arXiv cs.GT 2025
Year: 2025

We consider fair allocation of $m$ indivisible items to $n$ agents of equal entitlements, with submodular valuation functions. Previously, Seddighin and Seddighin [{\em Artificial Intelligence} 2024] proved the existence of allocations that offer each agent at least a $\frac{1}{c \log n \log\log n}$ fraction of her maximin share (MMS), where $c$ is some large constant (over 1000, in their work). We modify their algorithm and improve its analysis, improving the ratio to $\frac{1}{14 \log n}$. Some of our improvement stems from tighter analysis of concentration properties for the value of any subadditive valuation function $v$, when considering a set $S' \subseteq S$ of items, where each item of $S$ is included in $S'$ independently at random (with possibly different probabilities). In particular, we prove that up to less than the value of one item, the median value of $v(S')$, denoted by $M$, is at least two-thirds of the expected value, $M \geq \frac{2}{3}\E[v(S')] - \frac{11}{12}\max_{e \in S} v(e)$.
LSR-Adapt: Ultra-Efficient Parameter Tuning with Matrix Low Separation Rank Kernel Adaptation
Venue: arXiv cs.LG 2025
Year: 2025

Imposing an effective structural assumption on neural network weight matrices has been the major paradigm for designing Parameter-Efficient Fine-Tuning (PEFT) systems for adapting modern large pre-trained models to various downstream tasks. However, low rank based adaptation has become increasingly challenging due to the sheer scale of modern large language models. In this paper, we propose an effective kernelization to further reduce the number of parameters required for adaptation tasks. Specifically, from the classical idea in numerical analysis regarding matrix Low-Separation-Rank (LSR) representations, we develop a kernel using this representation for the low rank adapter matrices of the linear layers from large networks, named the Low Separation Rank Adaptation (LSR-Adapt) kernel. With the ultra-efficient kernel representation of the low rank adapter matrices, we manage to achieve state-of-the-art performance with even higher accuracy with almost half the number of parameters as compared to conventional low rank based methods. This structural assumption also opens the door to further GPU-side optimizations due to the highly parallelizable nature of Kronecker computations.
Don't Stop the Multi-Party! On Generating Synthetic Multi-Party Conversations with Constraints
Venue: arXiv cs.CL 2025
Year: 2025

Multi-Party Conversations (MPCs) are widely studied across disciplines, with social media as a primary data source due to their accessibility. However, these datasets raise privacy concerns and often reflect platform-specific properties. For example, interactions between speakers may be limited due to rigid platform structures (e.g., threads, tree-like discussions), which yield overly simplistic interaction patterns (e.g., as a consequence of ``reply-to'' links). This work explores the feasibility of generating diverse MPCs with instruction-tuned Large Language Models (LLMs) by providing deterministic constraints such as dialogue structure and participants' stance. We investigate two complementary strategies of leveraging LLMs in this context: (i.) LLMs as MPC generators, where we task the LLM to generate a whole MPC at once and (ii.) LLMs as MPC parties, where the LLM generates one turn of the conversation at a time, provided the conversation history. We next introduce an analytical framework to evaluate compliance with the constraints, content quality, and interaction complexity for both strategies. Finally, we assess the quality of obtained MPCs via human annotation and LLM-as-a-judge evaluations. We find stark differences among LLMs, with only some being able to generate high-quality MPCs. We also find that turn-by-turn generation yields better conformance to constraints and higher linguistic variability than generating MPCs in one pass. Nonetheless, our structural and qualitative evaluation indicates that both generation strategies can yield high-quality MPCs.
AI-Empowered Catalyst Discovery: A Survey from Classical Machine Learning Approaches to Large Language Models
Venue: arXiv cs.CE 2025
Year: 2025

Catalysts are essential for accelerating chemical reactions and enhancing selectivity, which is crucial for the sustainable production of energy, materials, and bioactive compounds. Catalyst discovery is fundamental yet challenging in computational chemistry and has garnered significant attention due to the promising performance of advanced Artificial Intelligence (AI) techniques. The development of Large Language Models (LLMs) notably accelerates progress in the discovery of both homogeneous and heterogeneous catalysts, where their chemical reactions differ significantly in material phases, temperature, dynamics, etc. However, there is currently no comprehensive survey that discusses the progress and latest developments in both areas, particularly with the application of LLM techniques. To address this gap, this paper presents a thorough and systematic survey of AI-empowered catalyst discovery, employing a unified and general categorization for homogeneous and heterogeneous catalysts. We examine the progress of AI-empowered catalyst discovery, highlighting their individual advantages and disadvantages, and discuss the challenges faced in this field. Furthermore, we suggest potential directions for future research from the perspective of computer science. Our goal is to assist researchers in computational chemistry, computer science, and related fields in easily tracking the latest advancements, providing a clear overview and roadmap of this area. We also organize and make accessible relevant resources, including article lists and datasets, in an open repository at https://github.com/LuckyGirl-XU/Awesome-Artificial-Intelligence-Empowered-Catalyst-Discovery.
Integrating Inverse and Forward Modeling for Sparse Temporal Data from Sensor Networks
Venue: arXiv cs.LG 2025
Year: 2025

We present CavePerception, a framework for the analysis of sparse data from sensor networks that incorporates elements of inverse modeling and forward modeling. By integrating machine learning with physical modeling in a hypotheses space, we aim to improve the interpretability of sparse, noisy, and potentially incomplete sensor data. The framework assumes data from a two-dimensional sensor network laid out in a graph structure that detects certain objects, with certain motion patterns. Examples of such sensors are magnetometers. Given knowledge about the objects and the way they act on the sensors, one can develop a data generator that produces data from simulated motions of the objects across the sensor field. The framework uses the simulated data to infer object behaviors across the sensor network. The approach is experimentally tested on real-world data, where magnetometers are used on an airport to detect and identify aircraft motions. Experiments demonstrate the value of integrating inverse and forward modeling, enabling intelligent systems to better understand and predict complex, sensor-driven events.
A Query-Driven Approach to Space-Efficient Range Searching
Venue: arXiv cs.DS 2025
Year: 2025

We initiate a study of a query-driven approach to designing partition trees for range-searching problems. Our model assumes that a data structure is to be built for an unknown query distribution that we can access through a sampling oracle, and must be selected such that it optimizes a meaningful performance parameter on expectation. Our first contribution is to show that a near-linear sample of queries allows the construction of a partition tree with a near-optimal expected number of nodes visited during querying. We enhance this approach by treating node processing as a classification problem, leveraging fast classifiers like shallow neural networks to obtain experimentally efficient query times. Our second contribution is to develop partition trees using sparse geometric separators. Our preprocessing algorithm, based on a sample of queries, builds a balanced tree with nodes associated with separators that minimize query stabs on expectation; this yields both fast processing of each node and a small number of visited nodes, significantly reducing query time.
FPT algorithms over linear delta-matroids with applications
Venue: arXiv cs.DS 2025
Year: 2025

Matroids, particularly linear ones, have been a powerful tool in parameterized complexity for algorithms and kernelization. They have sped up or replaced dynamic programming. Delta-matroids generalize matroids by encapsulating structures such as non-maximum matchings in general graphs and various path-packing and topological configurations. Linear delta-matroids (represented by skew-symmetric matrices) offer significant expressive power and enable powerful algorithms. We investigate parameterized complexity aspects of problems defined over linear delta-matroids or with delta-matroid constraints. Our analysis of basic intersection and packing problems reveals a different complexity landscape compared to the familiar matroid case. In particular, there is a stark contrast between the cardinality parameter $k$ and the rank parameter $r$. For example, finding an intersection of size $k$ of three linear delta-matroids is W[1]-hard when parameterized by $k$, while more general problems (e.g., finding a set packing of size $k$ feasible in a linear delta-matroid) are FPT when parameterized by $r$. We extend the recent determinantal sieving procedure of Eiben, Koana and Wahlström (SODA 2024) to sieve a polynomial for a monomial whose support is feasible in a linear delta-matroid by $r$. Second, we investigate a class of problems that remains FPT when parameterized by $k$, even on delta-matroids of unbounded rank. We begin with Delta-matroid Triangle Cover - finding a feasible set of size $k$ that can be covered by a vertex-disjoint packing of triangles (sets of size 3) from a given collection. This approach allows us to find a packing of $K_3$'s and $K_2$'s in a graph with a maximum number of edges, parameterized above the matching number. As applications, we settle questions on the FPT status of Cluster Subgraph and Strong Triadic Closure parameterized above the matching number.
On the Subsidy of Envy-Free Orientations in Graphs
Venue: arXiv cs.GT 2025
Year: 2025

We study a fair division problem in (multi)graphs where $n$ agents (vertices) are pairwise connected by items (edges), and each agent is only interested in its incident items. We consider how to allocate items to incident agents in an envy-free manner, i.e., envy-free orientations, while minimizing the overall payment, i.e., subsidy. We first prove that computing an envy-free orientation with the minimum subsidy is NP-hard, even when the graph is simple and the agents have bi-valued additive valuations. We then bound the worst-case subsidy. We prove that for any multigraph (i.e., allowing parallel edges) and monotone valuations where the marginal value of each good is at most \$1 for each agent, \$1 each (a total subsidy of $n-1$, where $n$ is the number of agents) is sufficient. This is one of the few cases where linear subsidy $Θ(n)$ is known to be necessary and sufficient to guarantee envy-freeness when agents have monotone valuations. When the valuations are additive (while the graph may contain parallel edges) and when the graph is simple (while the valuations may be monotone), we improve the bound to $n/2$ and $n-2$, respectively. Moreover, these two bounds are tight.
Human-Like Robot Impedance Regulation Skill Learning from Human-Human Demonstrations
Venue: arXiv cs.RO 2025
Year: 2025

Humans are experts in physical collaboration by leveraging cognitive abilities such as perception, reasoning, and decision-making to regulate compliance behaviors based on their partners' states and task requirements. Equipping robots with similar cognitive-inspired collaboration skills can significantly enhance the efficiency and adaptability of human-robot collaboration (HRC). This paper introduces an innovative HumanInspired Impedance Regulation Skill Learning framework (HIImpRSL) for robotic systems to achieve leader-follower and mutual adaptation in multiple physical collaborative tasks. The proposed framework enables the robot to adapt its compliance based on human states and reference trajectories derived from human-human demonstrations. By integrating electromyography (EMG) signals and motion data, we extract endpoint impedance profiles and reference trajectories to construct a joint representation via imitation learning. An LSTM-based module then learns task-oriented impedance regulation policies, which are implemented through a whole-body impedance controller for online impedance adaptation. Experimental validation was conducted through collaborative transportation, two interactive Tai Chi pushing hands, and collaborative sawing tasks with multiple human subjects, demonstrating the ability of our framework to achieve human-like collaboration skills and the superior performance from the perspective of interactive forces compared to four other related methods.
Learning Novel Transformer Architecture for Time-series Forecasting
Venue: arXiv cs.LG 2025
Year: 2025

Despite the success of Transformer-based models in the time-series prediction (TSP) tasks, the existing Transformer architecture still face limitations and the literature lacks comprehensive explorations into alternative architectures. To address these challenges, we propose AutoFormer-TS, a novel framework that leverages a comprehensive search space for Transformer architectures tailored to TSP tasks. Our framework introduces a differentiable neural architecture search (DNAS) method, AB-DARTS, which improves upon existing DNAS approaches by enhancing the identification of optimal operations within the architecture. AutoFormer-TS systematically explores alternative attention mechanisms, activation functions, and encoding operations, moving beyond the traditional Transformer design. Extensive experiments demonstrate that AutoFormer-TS consistently outperforms state-of-the-art baselines across various TSP benchmarks, achieving superior forecasting accuracy while maintaining reasonable training efficiency.
Direct Value Optimization: Improving Chain-of-Thought Reasoning in LLMs with Refined Values
Venue: arXiv cs.CL 2025
Year: 2025

We introduce Direct Value Optimization (DVO), an innovative reinforcement learning framework for enhancing large language models in complex reasoning tasks. Unlike traditional methods relying on preference labels, DVO utilizes value signals at individual reasoning steps, optimizing models via a mean squared error loss. The key benefit of DVO lies in its fine-grained supervision, circumventing the need for labor-intensive human annotations. Target values within the DVO are estimated using either Monte Carlo Tree Search or an outcome value model. Our empirical analysis on both mathematical and commonsense reasoning tasks shows that DVO consistently outperforms existing offline preference optimization techniques, even with fewer training steps. These findings underscore the importance of value signals in advancing reasoning capabilities and highlight DVO as a superior methodology under scenarios lacking explicit human preference information.