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Peer-reviewade publikationer — 59663 artiklar

Sparse induced subgraphs in $P_7$-free graphs of bounded clique number
arXiv:2412.14836v4 Announce Type: replace Abstract: Many natural computational problems, including e.g. Max Weight Independent Set, Feedback Vertex Set, or Vertex Planarization, can be unified under an umbrella of finding the largest sparse induced subgraph, that satisfies some property definable in CMSO$_2$ logic. It is believed that each problem expressible with this formalism can be solved in polynomial time in graphs that exclude a fixed path as an induced subgraph. This belief is supported by the existence of a quasipolynomial-time algorithm by Gartland, Lokshtanov, Pilipczuk, Pilipczuk, and Rz\k{a}\.zewski [STOC 2021], and a recent polynomial-time algorithm for $P_6$-free graphs by Chudnovsky, McCarty, Pilipczuk, Pilipczuk, and Rz\k{a}\.zewski [SODA 2024]. In this work we extend polynomial-time tractability of all such problems to $P_7$-free graphs of bounded clique number.
Machine Learning Enabled Graph Analysis of Particulate Composites: Application to Solid-state Battery Cathodes
arXiv:2512.16085v2 Announce Type: replace-cross Abstract: Particulate composites underpin many solid-state chemical and electrochemical systems, where microstructural features such as multiphase boundaries and inter-particle connections strongly influence system performance. Advances in X-ray microscopy enable capturing large-scale, multimodal images of these complex microstructures with an unprecedentedly high throughput. However, harnessing these datasets to discover new physical insights and guide microstructure optimization remains a major challenge. Here, we develop a machine learning (ML) enabled framework that enables automated transformation of experimental multimodal X-ray images of multiphase particulate composites into scalable, topology-aware graphs for extracting physical insights and establishing local microstructure-property relationships at both the particle and network level. Using the multiphase particulate cathode of solid-state lithium batteries as an example, our ML-enabled graph analysis corroborates the critical role of triple phase junctions and concurrent ion/electron conduction channels in realizing desirable local electrochemical activity. Our work establishes graph-based microstructure representation as a powerful paradigm for bridging multimodal experimental imaging and functional understanding, and facilitating microstructure-aware data-driven materials design in a broad range of particulate composites.
LightTransfer: Your Long-Context LLM is Secretly a Hybrid Model with Effortless Adaptation
arXiv:2410.13846v3 Announce Type: replace Abstract: Scaling language models to handle longer contexts introduces substantial memory challenges due to the growing cost of key-value (KV) caches. Motivated by the efficiency gains of hybrid models and the broad availability of pretrained large transformer backbones, we explore transitioning transformer models into hybrid architectures for a more efficient generation. In this work, we propose LightTransfer, a lightweight method that transforms models such as LLaMA into hybrid variants. Our approach identifies lazy layers -- those focusing on recent or initial tokens -- and replaces their full attention with streaming attention. This transformation can be performed without any training for long-context understanding tasks or with minimal fine-tuning for o1-like long reasoning generation tasks that require stronger reasoning capabilities. Experiments across diverse benchmarks and models (e.g., LLaMA, Mistral, QwQ-STILL) demonstrate that, even when half of the layers are identified as lazy, LightTransfer achieves up to 2.17$\times$ throughput improvement with minimal performance loss ($<1.5\%$ on LongBench) and achieves 53.3\% on math benchmark AIME24 of advanced o1-like long reasoning model QwQ-STILL.
A Unified Pore-Scale Multiphysics Model for the Integrated Soot Transport-Deposition-Oxidation in Catalytic Diesel Particulate Filters
arXiv:2512.22230v2 Announce Type: replace Abstract: Understanding the intricate interplay between soot dynamics and chemical reactions within catalytic diesel particulate filters (CDPF) is crucial for enhancing both filtration efficiency and regeneration performance. In this paper, we establish a unified pore-scale multiphysics model based on the Eulerian-Lagrangian framework to comprehensively resolve the transport, deposition, and oxidation of soot. Distinguishing itself from conventional empirical correlations and stochastic-based approximations, the system models soot deposition through fundamental physical principles, integrating elastic deformation and surface adhesion mechanics at the particle-wall interface. Simultaneously, it incorporates a robust oxidation model that accounts for the competitive kinetics of both $\textrm{O}_2$ and $\textrm{NO}_2$ pathways, enabling comprehensive coverage of all CDPF operating regimes. Validated against three classical benchmark cases, the model demonstrates superior accuracy in capturing interfacial mass transfer and particle-wall interactions. Simulation under a typical CDPF low-temperature operating condition emphasizes the pivotal role of $\textrm{NO}_2$ and catalyst in promoting regeneration and reveals complex synergistic and competitive effects between distinct reaction pathways. Notably, the reaction rate of direct $\textrm{O}_2$ pathway is accelerated by a factor of 87 in the presence of the catalyst. For ultra-fine soot particles ($50~\mathrm{nm}$), the Brownian motion and thermophoretic forces directly dictate the deposition efficiency. Their strong thermal sensitivity also underscores the necessity for an integrated soot transport-deposition-oxidation framework. To support further research, the model implementation can be accessed at https://github.com/zhangyujing2001.
PersonaDual: Balancing Personalization and Objectivity via Adaptive Reasoning
arXiv:2601.08679v3 Announce Type: replace Abstract: As users increasingly expect LLMs to align with their preferences, personalized information becomes valuable. However, personalized information can be a double-edged sword: it can improve interaction but may compromise objectivity and factual correctness, especially when it is misaligned with the question. To alleviate this problem, we propose PersonaDual, a framework that supports both general-purpose objective reasoning and personalized reasoning in a single model, and adaptively switches modes based on context. PersonaDual is first trained with SFT to learn two reasoning patterns, and then further optimized via reinforcement learning with our proposed DualGRPO to improve mode selection. Experiments on objective and personalized benchmarks show that PersonaDual preserves the benefits of personalization while reducing interference, achieving near interference-free performance and better leveraging helpful personalized signals to improve objective problem-solving.
SPARC-atomSFE: Spectral finite-element package for atomic structure calculations in density functional theory
arXiv:2605.18488v1 Announce Type: new Abstract: We present SPARC-atomSFE, a spectral finite-element package for accurate and efficient atomic structure calculations within the framework of Kohn-Sham density functional theory. The package supports both all-electron and norm conserving pseudopotential calculations across a comprehensive hierarchy of exchange-correlation approximations, spanning local, semilocal, and nonlocal functionals. The latter includes hybrid functionals and the many-body random phase approximation, for which we implement both the generalized Kohn-Sham approach and the optimized effective potential (OEP) method, with OEP necessary for eigenvalue-dependent functionals. Spatial discretization is based on an adaptive grid with element nodes distributed according to the Legendre--Gauss--Lobatto scheme, high-order $C^{0}$-continuous Lagrange polynomial basis functions, and Gauss--Legendre quadrature for numerical integration. We present systematic convergence studies and identify the computational parameters required to achieve target accuracies. We validate the accuracy of SPARC-atomSFE through representative calculations spanning the various exchange-correlations approximations, obtaining results that generally agree with values in the literature to within $1~\mu\text{Ha}$ or better.
Attention-Guided Fusion of 1D and 2D CNNs for Robust ECG-Based Biometric Recognition
arXiv:2605.17685v1 Announce Type: new Abstract: Electrocardiogram (ECG)-based biometric recognition has emerged as a promising solution for secure authentication and liveness detection. However, most existing methods rely on unimodal deep learning architectures that independently process either one-dimensional (1D) temporal signals or two-dimensional (2D) time-frequency representations, limiting robustness and generalization. To address this issue, this paper proposes a hybrid framework integrating 1D and 2D convolutional neural networks (CNNs) within a unified end-to-end architecture. The 1D branch extracts temporal and morphological features from raw ECG signals, while the 2D branch captures discriminative spectral information from time-frequency representations. An attention-guided fusion mechanism dynamically weights both modalities according to input characteristics, overcoming the limitations of conventional static fusion strategies. The framework was evaluated on three benchmark datasets (ECG-ID, MIT-BIH, and PTB), including healthy subjects and patients with cardiac pathologies, achieving identification accuracies of 99.56%, 100.00%, and 99.89%, respectively. To assess long-term biometric permanence, experiments were also conducted on the multi-session Heartprint dataset spanning ten years. The proposed approach achieved same-session accuracies of 98.54% (S1), 99.09% (S2), 94.93% (S3R), and 96.08% (S3L), while cross-session evaluations reached 56.33% (S1-S2) and 53.27% (S2-S3R), demonstrating the ability to capture stable biometric signatures over time. The optimal configuration combines InceptionTime for 1D processing, ResNet-34 for 2D analysis, and attention-based fusion. Ablation studies confirm that the proposed attention mechanism consistently outperforms conventional fusion approaches. Overall, the proposed framework provides a robust, scalable, and high-performance solution for ECG biometric recognition.
t-gems: text-guided exit modules for decreasing clip image encoder
arXiv:2605.17499v1 Announce Type: new Abstract: Multimodal deep neural networks enhance deep comprehension by integrating diverse data modalities. Data from different modalities are typically projected into a shared latent space for similarity computation, but this process is resource intensive due to large image encoders and equal processing of test data during prediction. Early exit methods reduce computational load by utilizing intermediate layers, saving time and memory. However, developing such methods is challenging for multimodal data like image-text pairs. This study investigates the semantic content distributions present in intermediate layers of encoders such as CLIP, which can be derived from textual descriptions. We introduce Text-Guided Exit Modules (T-GEMs) and a rate-based regularizer to control encoder usage costs while maintaining cross-modal understanding performance.
Long Context Modeling with Ranked Memory-Augmented Retrieval
arXiv:2503.14800v3 Announce Type: replace Abstract: Effective long-term memory management is crucial for language models handling extended contexts. We introduce the Enhanced Ranked Memory Augmented Retrieval (ERMAR) framework, which dynamically ranks memory entries based on relevance. Unlike prior models, ERMAR employs a novel relevance scoring mechanism and a pointwise re-ranking model for key-value embeddings, inspired by learning-to-rank techniques in information retrieval. By integrating historical usage patterns and adaptive retrieval, ERMAR achieves state-of-the-art results on standard benchmarks, demonstrating superior scalability and performance in long-context tasks.
Fine-tuning Pocket-Aware Diffusion Models via Denoising Policy Optimization
arXiv:2605.17693v1 Announce Type: new Abstract: Structure-based drug design has been accelerated by pocket-aware 3D generative models, yet most methods primarily fit the training distribution and may fall short of satisfying multiple properties required in real-world therapeutic drug discovery. Recently, increasing attention has focused on structure-based molecule optimization (SBMO), which targets fine-grained control over multiple specified molecular properties. In this paper, we present DEPPA, a novel SBMO approach building upon Denoising Diffusion Policy Optimization for fine-tuning a pre-trained pocket-aware diffusion model via reinforcement learning. DEPPA enables optimization over multiple properties, including binding affinity, drug-likeness, synthesizability and diversity. We formulate the reverse denoising process of the pretrained pocket-aware diffusion model as a multi-step Markov Decision Process, where the desired properties that serve as reward signals are evaluated on the final generated ligand molecules. DEPPA incorporates a coarse denoising scheduler during the RL fine-tuning to achieve efficient and effective molecule optimization. Experimental results on the CrossDocked2020 benchmark demonstrate that DEPPA outperforms baselines in binding affinity (Vina Score -8.5 kcal/mol), drug-likeness and diversity while exhibiting competitive performance in synthesizability. The source code is available at https://github.com/xy9485/DePPA .
Can machine learning for quantum-gas experiments be explainable?
arXiv:2605.18689v1 Announce Type: cross Abstract: Virtually all aspects of many-body atomic physics are challenging: experiments are technically demanding, datasets have become enormous, and the memory and CPU requirements for classical simulation of generic quantum systems often scale exponentially with system size. Machine learning (ML) methods are already assisting in each of these areas and are poised to become transformative. Here, we focus on two specific applications of ML to cold-atom-based quantum simulators. These devices generally generate data in the form of images; we first showcase denoising of raw images and then identify solitonic waves in Bose-Einstein condensates. In both of these examples, we comment on the interplay between performance, model complexity, and interpretability.
VISAFF: Speaker-Centered Visual Affective Feature Learning for Emotion Recognition in Conversation
arXiv:2605.18547v1 Announce Type: new Abstract: Emotion Recognition in Conversation (ERC) is essential for effective human-machine interaction, aiming to identify speakers' emotional states in multi-turn dialogues. Early text-based methods struggle with complex scenarios like sarcasm because they inherently neglect vital non-verbal information. While recent Vision-Language Models (VLMs) address this by analyzing video directly, they are not inherently tailored for ERC and often focus on emotionally irrelevant background regions or passive listeners rather than the active speaker. Furthermore, fine-tuning these large models incurs prohibitive computational costs. Additionally, isolated visual signals are frequently ambiguous or technically compromised without the context of linguistic content and vocal prosody. To address these challenges, we propose VISAFF, a speaker-centered VISual AFFective feature learning framework for ERC. VISAFF consists of two stages: Speaker-Centered Affective Grounding and Reliability-Guided Affective Complementation. VISAFF utilizes a tuning-free approach to unlock the reasoning capabilities of frozen VLMs, efficiently steering them to focus on the active speaker's emotional visual cues without heavy training overheads. In the second stage, we introduce a reliability-guided affective complementation mechanism that dynamically leverages textual and acoustic modalities to compensate for visual uncertainty. Experiments on two real-world datasets demonstrate that VISAFF achieves highly competitive performance compared to state-of-the-art methods in a tuning-free setting, significantly enhancing computational efficiency by eliminating the need for expensive fine-tuning of large VLMs. The source code is available at https://anonymous.4open.science/r/speaker-2365/.
Counterfactual Explanations Under Concept Drift
arXiv:2605.17651v1 Announce Type: new Abstract: Counterfactual explanations (CFEs) provide actionable recourse, but most methods assume a static framework with fixed data and a trained classifier. This assumption breaks in evolving data environments, such as data streams, where online models are repeatedly updated under concept drift. We identify CFE maintenance in this setting as a previously overlooked problem: explanations that are valid when generated may silently become invalid as the model evolves, including robust CFEs, which are not designed for continuous drift. We propose a lightweight, model-agnostic update scheme that repairs existing CFEs using local sampling to estimate validity and plausibility directions while preserving proximity to the original instance. Experiments on synthetic drifting streams show that initially created CFEs rapidly lose validity, whereas maintained CFEs preserve validity and local plausibility at a lower cost than repeated regeneration.
Preparation of Fractal-Inspired Computational Architectures for Advanced Large Language Model Analysis
arXiv:2511.07329v4 Announce Type: replace Abstract: This paper proposes FractalNet, a framework based on fractal design principles that automatically generates and evaluates convolutional neural network (CNN) architectures using recursive template patterns. Rather than relying on computationally expensive Neural Architecture Search (NAS) methods, the framework explores a structured architecture space defined by recursive fractal templates that systematically vary key parameters such as fractal depth, column width, and layer configurations. The framework consists of three core components: a generator that produces candidate architectures via controlled permutations of convolutional, normalization, activation, and dropout layers; a fractal template module that enforces recursive multi-path structural patterns; and a runner module that manages model training, evaluation, and logging. Using this system, over 1,200 distinct CNN architectures were automatically generated and evaluated on the CIFAR-10 image classification benchmark. Training was performed in PyTorch using stochastic gradient descent with Automatic Mixed Precision (AMP) and gradient checkpointing to reduce computational overhead. Experimental results demonstrate that fractal-based architectures exhibit stable training dynamics and achieve competitive performance, with an average validation accuracy of 60-70% and a peak accuracy of 80.18% after only five training epochs. These findings suggest that recursive fractal structures provide an effective means of balancing network depth and width while supporting large-scale automated architecture exploration. The proposed framework offers a resource-efficient and interpretable approach to systematic neural architecture experimentation.
SWING: Unlocking Implicit Graph Representations for Graph Random Features
arXiv:2602.12703v2 Announce Type: replace Abstract: We propose SWING: Space Walks for Implicit Network Graphs, a new class of algorithms for computations involving Graph Random Features on graphs given by implicit representations (i-graphs), where edge-weights are defined as bi-variate functions of feature vectors in the corresponding nodes. Those classes of graphs include several prominent examples, such as: $\epsilon$-neighborhood graphs, used on regular basis in machine learning. Rather than conducting walks on graphs' nodes, those methods rely on walks in continuous spaces, in which those graphs are embedded. To accurately and efficiently approximate original combinatorial calculations, SWING applies customized Gumbel-softmax sampling mechanism with linearized kernels, obtained via random features coupled with importance sampling techniques. This algorithm is of its own interest. SWING relies on the deep connection between implicitly defined graphs and Fourier analysis, presented in this paper. SWING is accelerator-friendly and does not require input graph materialization. We provide detailed analysis of SWING and complement it with thorough experiments on different classes of i-graphs.
Causal Influences over Social Learning Networks
arXiv:2307.09575v2 Announce Type: replace Abstract: This paper investigates causal influences between agents linked by a social graph and interacting over time. In particular, the work examines the dynamics of social learning models and distributed decision-making protocols, and derives expressions that reveal the causal relations between pairs of agents and explain the flow of influence over the network. The results turn out to be dependent on the graph topology and the level of information that each agent has about the inference problem they are trying to solve. Using these conclusions, the paper proposes an algorithm to rank the overall influence between agents to discover highly influential agents. It also provides a method to learn the necessary model parameters from raw observational data. The results and the proposed algorithm are illustrated by considering both synthetic data and real social media data.
HSG-12M: A Large-Scale Benchmark of Spatial Multigraphs from the Energy Spectra of Non-Hermitian Crystals
arXiv:2506.08618v5 Announce Type: replace Abstract: AI is transforming scientific research by revealing new ways to understand complex physical systems, but its impact remains constrained by the lack of large, high-quality domain-specific datasets. A rich, largely untapped resource lies in non-Hermitian quantum physics, where the energy spectra of crystals form intricate geometries on the complex plane -- termed as Hamiltonian spectral graphs. Despite their significance as fingerprints for electronic behavior, their systematic study has been intractable due to the reliance on manual extraction. To unlock this potential, we introduce Poly2Graph: a high-performance, open-source pipeline that automates the mapping of 1-D crystal Hamiltonians to spectral graphs. Using this tool, we present HSG-12M: a dataset containing 11.6 million static and 5.1 million dynamic Hamiltonian spectral graphs across 1401 characteristic-polynomial classes, distilled from 177 TB of spectral potential data. Crucially, HSG-12M is the first large-scale dataset of spatial multigraphs -- graphs embedded in a metric space where multiple geometrically distinct trajectories between two nodes are retained as separate edges. This simultaneously addresses a critical gap, as existing graph benchmarks overwhelmingly assume simple, non-spatial edges, discarding vital geometric information. Benchmarks with popular GNNs expose new challenges in learning spatial multi-edges at scale. Beyond its practical utility, we show that spectral graphs serve as universal topological fingerprints of polynomials, vectors, and matrices, forging a new algebra-to-graph link. HSG-12M lays the groundwork for data-driven scientific discovery in condensed matter physics, new opportunities in geometry-aware graph learning and beyond.
An Empirical Study of Privacy Leakage Chains via Prompt Injection in Black-Box Chatbot Environments
arXiv:2605.18133v1 Announce Type: new Abstract: LLM-based chatbot agents increasingly process user requests by combining natural-language reasoning with external tools such as web browsing. These capabilities improve usability, but they also create attack surfaces when untrusted external content is processed as part of a user' s task. This paper studies a privacy-leakage attack chain based on indirect prompt injection in black-box chatbot environments, where the attacker has no access to model weights, system prompts, or agent implementation details including how a trajectory is actually managed during its processing for a query. We first analyze how an attacker can hijack an agent' s intended task by crafting external content that appears benign to the victim while inducing the agent to execute an attacker-defined objective. We then evaluate a new prompt-injection technique, called exemplification, which uses a bridge in the external content to reframe the user prompt and the benign beginning of the retrieved page as few-shot examples before appending the attacker' s objective. We compare its attack success rate with a prior fake-completion technique. Finally, we demonstrate a proof-of-concept data-exfiltration chain using fictitious personal information in a controlled setting. Our results suggest that prompt injection, jailbreak-style instruction steering, and web-tool invocation can be combined into a feasible privacy-leakage path in deployed chatbot agents.
Charge order on a triangular lattice with Mott physics and arbitrary charge density
arXiv:2605.18575v1 Announce Type: cross Abstract: Triangular-lattice systems attract a lot of attention due to various frustration-induced and strongly correlated effects. Here, we focus on the charge-ordering phenomenon by means of investigation of the extended Hubbard model with dynamical mean-field theory (DMFT). By considering the intersite nearest-neighbor interaction we have found a very rich phase diagram that contains large number of features, phases, and phase transitions. Among them are pinball-liquid (PL) phases where we distinguish charge-transfer-driven and Mott-localization-driven PLs; phase transitions that change their order as model parameters evolve (from discontinuous to continuous); very strong particle-hole asymmetry. Various features of the phase diagram are found to be better understood by means of the simple mean-field approximation (MFA). Moreover, besides helping with interpretation of the phase diagram, the MFA results together with results for the atomic-limit model are found to be able to set rather good expectations on how the DMFT phase diagram should look like. Nevertheless, a few features were not expected and are found within the DMFT, such as a small-region intermediate metallic phase on an electron-doped side of the phase diagram.
Reinforcement Learning Assisted Quantum Simulation of Many-Body Excited States and Real-Time Dynamics
arXiv:2605.18569v1 Announce Type: cross Abstract: The computation of electronic excited states and real-time quantum dynamics of many-fermion systems is among the most promising applications of near-term quantum computing. In this work, we generalize the reinforcement learning contracted quantum eigensolver (RL-CQE), previously developed for ground-state problems, to electronic excited states and real-time quantum dynamics, in which a deep Q-network agent adaptively selects the two-body operators at each iteration, yielding more compact ans\"{a}tze and improved robustness with respect to critical hyperparameters. A key feature of the algorithm is a scalable state representation based on the ACSE residuals, whose dimension grows with the one-particle basis but remains independent of the number of targeted excited states. We also verify the equivalence of sign-free qubit operators in the excited-state setting, extending a result previously established for ground-state problems. Our RL-CQE for time evolution derives from a constant-scaling ansatz that represents the wave function with a fixed number of unitary transformations independent of simulation time $t$, enabled by the shared unitary structure of the purified ensemble treatment of excited states. Benchmarks on chemical systems demonstrate chemical accuracy with minimal operator counts across a range of bond lengths.
A note on connections between the F\"ollmer process and the denoising diffusion probabilistic model
arXiv:2605.18040v1 Announce Type: cross Abstract: The F\"ollmer process is a Brownian motion conditioned to have a pre-specified distribution at time 1. This process can be interpreted as an "augmented" time-compressed version of the reverse stochastic differential equation (SDE) for the denoising diffusion probabilistic model (DDPM). While this fact has been indirectly used to analyze DDPM sampling errors via discretization of the reverse SDE, connections between direct discretization of the F\"ollmer process and the DDPM sampler have not yet been fully explored. This note aims to clarify this point while surveying relevant results from existing work. We show that discretized F\"ollmer processes give natural hyper-parameter settings of the DDPM sampler. Moreover, this allows us to systematically recover state-of-the-art results on DDPM sampling error bounds with slight improvements.
SocialMemBench: Are AI Memory Systems Ready for Social Group Settings?
arXiv:2605.17789v1 Announce Type: new Abstract: Memory systems for AI assistants were built for single-user dialogue and fail characteristically when applied to multi-party social group settings. This gap matters for the social assistants being built today: group-acting agents embedded in chat platforms, and proactive personal-assistant agents whose holistic model of a user must include their social context. Existing memory benchmarks evaluate dyadic or workplace dialogue; none targets multi-party social groups, where memory must anchor facts in shared history rather than professional roles, separate group norms from individual exceptions, and correctly attribute even after member departure. We introduce SocialMemBench, a benchmark of human-verified synthetic social group networks across five archetypes (close friends, family, recreational, interest community, acquaintance network) and three group-size tiers (4-30 members), with 430 personas and 7,355 conversation turns, yielding 1,031 QA pairs across nine question categories. Each category isolates an architectural capability, and the five failure modes (single-stream conflation, temporal-state overwrite, entity merging at scale, missing cross-persona knowledge, norm-individual conflation) are testable hypotheses; our two research probes Subject-Mem and SMG provide evidence on two, three remain open. A full-context Gemini 2.5 Flash reference reaches only 0.721 against a blind-critic reasoning-model mean of 0.98 on small networks, indicating the benchmark is genuinely difficult even with complete access to the conversation. Across all 43 networks, the four open-source memory frameworks evaluated (Mem0, LangMem, Graphiti, Cognee) cluster in the 0.12-0.18 question-weighted range with overlapping 95% CIs, well below an uncompressed retrieval reference of 0.345 and a matched-answerer full-context reference of 0.369 (GPT-4o-mini). Current memory systems show a measurable gap.
SCICONVBENCH: Benchmarking LLMs on Multi-Turn Clarification for Task Formulation in Computational Science
arXiv:2605.18630v1 Announce Type: new Abstract: Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations, however, typically assume the scientific problem is already well-posed, whereas practical scientific assistance often begins with an ill-posed user request that must be refined through dialogue before any computation, analysis, or experiment can be carried out reliably. We introduce SCICONVBENCH, a benchmark for multi- turn clarification in scientific task formulation across four computational science problem domains: fluid mechanics, solid mechanics, materials science, and par- tial differential equations (PDEs). SCICONVBENCH targets two complementary capabilities: eliciting missing information (disambiguation) and detecting and correcting erroneous requests containing internally contradictory information (in- consistency resolution). Our benchmark pairs a structured task ontology with a rubric-based evaluation framework, enabling systematic measurement of LLM per- formance across three dimensions: clarification behavior, conversational grounding, and final-specification fidelity. Current frontier models perform relatively well on inconsistency resolution, but even the best model resolves only 52.7% of the disambiguation cases in fluid mechanics. We further find that frontier LLMs fre- quently make silent assumptions and perform implicit specification repairs that are not grounded in the conversation with users. SCICONVBENCH establishes a foundation for evaluating the upstream conversational reasoning that a reliable computational science assistant requires. The code and data can be found at https://github.com/csml-rpi/SciConvBench.
Physics-guided curriculum learning for the identification of reaction-diffusion dynamics from partial observations
arXiv:2601.17382v2 Announce Type: replace Abstract: Reaction-diffusion (RD) systems provide fundamental models for understanding self-organized spatiotemporal patterns across natural and engineered settings, yet reliable parameter estimation remains challenging, particularly when observations are sparse, noisy, and restricted to a subset of state variables. We introduce CLIP (Curriculum Learning Identification via PINNs), a physics-guided framework built on physics-informed neural networks for joint parameter inference and hidden-state reconstruction under partial observability. Leveraging the physical separability of RD systems, the CLIP training progresses from reaction-dominated regimes to full spatiotemporal dynamics using curriculum learning and an anchored widening transfer strategy. Across three canonical reaction-diffusion benchmarks, CLIP achieves more accurate and robust identification than baseline methods. Furthermore, the CLIP framework is successfully applied to infer the dynamics of the Min system in bacteria, where only membrane-bound species are observed and key kinetic rates span multiple orders of magnitude. Ablation experiments and loss-landscape visualizations demonstrate that both the curriculum stages and the anchored transfer are essential for stable convergence.
Leveraging Latent Visual Reasoning in Silence
arXiv:2605.18641v1 Announce Type: new Abstract: Latent visual reasoning involves visual evidence more directly in multimodal reasoning by inserting continuous latent tokens before textual generation. However, the necessity of these latent tokens at inference remains ambiguous. We show that replacing latent tokens with random noise or removing them completely causes little performance degradation across spatial reasoning benchmarks. Reinforcement learning further diminishes the latent generation behavior after post-training. These observations raise a central question: Is latent visual reasoning still meaningful? We argue that its value should be measured by how effectively latent tokens guide learning, rather than whether they persist as an inference-time format. Our analysis shows that latent reasoning is unevenly favorable across question types, yet hard task-level routing for applying latent generation is brittle. Motivated by these findings, we propose an attention-based reward that encourages generated latent tokens to interact with later text tokens during RL. This reward promotes latent utilization when the latent mode is activated while preserving the flexibility to use pure-text reasoning. Experiments show that our method improves performance across perception and visual reasoning benchmarks, even when latent tokens are rarely generated after post-training. Our results highlight that, without explicit expression at inference, latent visual reasoning can shape better visual grounding and more accurate textual reasoning in silence. Our code and trained models are publicly available at \href{https://github.com/ddydyd32/silent-lvr/tree/master}{GitHub} and \href{https://huggingface.co/collections/cornuHGF/silent-lvr}{Hugging Face}.