While Large Language Models (LLMs) achieve impressive performance on multi-step reasoning tasks, their reliability is persistently hindered by critical limitations such as unconstrained hallucinations and poor numerical computation. Fundamentally, these issues arise because standard models treat reasoning as a transient, one-off generation process rather than retaining and refining successful procedural logic. To address these challenges, we propose eMoT (evolving Memory-of-Thought), a unified framework that stabilizes multi-step reasoning by treating reasoning trajectories as dynamic, evolving memories rather than static templates. The framework primarily consists of three interconnected modules: (i) a memory corrosion mechanism that reinforces high-utility reasoning structures while gradually decaying less frequent ones; (ii) a symbolic anchoring engine that utilizes Python for deterministic computation, much like a human uses a calculator; and (iii) a consistency-driven refinement process that aligns neural inference with symbolic outcomes, reducing the accumulation of logical discrepancies. Across multiple reasoning benchmarks, eMoT improves accuracy and solution consistency over standard Chain-of-Thought and structured reasoning baselines.On the traditional task Game of 24, eMoT achieves 100% accuracy, surpassing the baseline by up to 17.6%. Evaluations on mathematical task GSM8K, ASDiv, SVAMP, and MGSM further show consistent gains in multi-step mathematical reasoning. In our evaluation, we achieve superior performance despite utilizing a lightweight backbone model with constrained baseline capabilities. Compared to alternative methods that rely on massively scaled models, our results demonstrate that the performance gains are fundamentally driven by the eMoT framework's reasoning control rather than sheer model size. less

AI for materials science is a critical topic within AI for science, aiming to accelerate materials discovery and produce accurate property predictions. Bilayer 2D material stacking is essential for exploring new materials with novel functions and inherent phenomena, enabling the creation of new 2D bilayers for diverse real-world applications. Research on bilayer vdWs materials has made significant progress from experimental and computational perspectives. Various bilayer materials have been successfully synthe sized experimentally and the increasing utilization of high-throughput computing technology has con structed several computational two-dimensional materials databases. However, the use of AI to model bilayer stacking and predict new properties remains underexplored, necessitating further research studies. In this work, we propose a novel multimodal learning approach to study the interfaces between dissimilar materials that jointly enable new or multiple functions, and to predict new properties arising from the vertical integration (stacking) of different functional material layers under given configurations. Comprehensive experiments demonstrate the effectiveness and efficiency of our approach compared to baseline methods. Our code is available at https://github.com/AnVuong123/bimat ml. less

Research is advancing faster than ever with artificial intelligence (AI); and so are the corresponding research papers. The exploding volume of AI-generated papers have put a strain to peer review, leading to the usage of AI-generated review, potentially wide yet sneaky. However, relevant ethical concerns about confidentiality, quality, and fairness are raised and no consensus has been reached in the broad research community. We expect the debate to continue for a while, but in the meantime, we ask an alternative, practical question: \textit{can AI review improve paper drafting?} We study 20 computer architecture papers, with varying levels of submission lineage, to expose how well AI review aligns with human review, quantified by a set of metrics we define. To conduct the case study, we build a web UI-integrated tool, \emph{AI-Paper-Review}, that generates structured AI review of a draft paper, available at https://github.com/unarylab/ai-paper-review. This tool selects several AI reviewers from a diverse pool of AI reviewers and clusters and ranks their comments based on commonality and importance of review comments. It also allows to align AI comments with human comments to facilitate metric-based validation. The case study shows that AI review can cover a significant fraction of human-raised issues, but also raises issues missing in human review. This paper is not intended to encourage using AI for peer review at the current stage, but to study that (1) how AI review can improve paper drafting and (2) the potential and limitation of AI-based peer review. The release of the tool and the case study data is intended to instigate future research on this topic. Misuse for peer review would violate the ethics policies from major academic venues. less

Printed circuit board (PCB) schematic design defines nearly all electronic hardware, but it remains manual and expertise-intensive. While generative AI has advanced digital and analog IC design, PCB schematic generation from natural-language intent is largely unexplored. This paper presents SchGen, the first large language model that generates editable PCB schematics from natural-language requests. The key challenge lies in the lack of an LLM-suited representation and a large-scale dataset. Current schematic formats are dominated by verbose, tool-specific syntax and geometry-heavy descriptions, making them difficult to generate reliably. We introduce a semantically grounded code representation that encodes schematic editing primitives with relative placement and pin-name-based wiring, transforming a geometry-driven generation problem into a semantics-driven matching task amenable to LLMs. We further construct a large-scale dataset of PCB schematics paired with user prompts via a human-agent collaborative pipeline that converts open-source hardware designs into our representation. Experiments show that SchGen significantly outperforms alternative representations and even larger general-purpose LLMs on wire connectivity accuracy and functional correctness. Our results highlight the critical role of representation design in enabling generative models for complex hardware design tasks. less

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research tasks via multi-hop retrieval, their innovative reasoning abilities essential for true scientific discovery remain largely untested. We introduce a benchmark framework for evaluating model performance in scientific discovery and reasoning, building up from a raw problem to the classical null hypothesis test. In our framework, models initially receive only the topic and research question from a recent paper, with technical details progressively revealed. At each stage of information disclosure, the model is tasked with generating hypotheses that address the research question, which is compared with the conclusions from the original paper and evaluated via automated semantic similarity of constituent atomic claims. This progressive evaluation of semantic divergence from ground-truth conclusions enables assessment of a model's innovativeness (under minimal information) to grounded reasoning capabilities (under full experimental details), both critical for using LLMs for scientific discovery purposes. Our framework provides a foundation for systematically evaluating scientific reasoning and discovery capabilities in LLMs, crucial for advancing the development of next-generation AI scientist/co-scientist systems. Specifically, here we evaluate GPT-5, GPT-5.4, Gemini 2.5 pro, and Gemini 3.1 pro preview across 45 papers spanning bioactive materials, mechanical materials, and nanomaterials. We find that GPT-5.4 and Gemini 3.1 pro outperform their previous generation counterparts as expected, and GPT-5.4 in particular maintains 0.7 F1 score alignment with ground truth conclusions even under minimal context. less

Mid-training has become an important stage in modern LLM development, using large-scale curated mixtures to strengthen capabilities before final post-training. Its data selection problem is distinct: the data are optimized under a pretraining-style objective at near-pretraining scale, but are curated toward downstream capabilities and drawn from heterogeneous sources with different formats and training roles. As a result, effective selection requires both scalability and source-adaptive semantic criteria. Existing model-based methods scale well, but provide only implicit quality signals. Semantic selection methods offer stronger judgments, but usually assume fixed rubrics or standardized data formats. To address this mismatch, we propose MIRA, a source-aware filtering framework based on self-anchored rubric discovery. The key idea is to make rubric construction part of data selection: MIRA first discovers what should be evaluated for each source group, then distills those judgments into scalable student scorers for full-corpus filtering. On code-oriented mid-training with 21 sources and 5 source groups, MIRA outperforms selection baselines across nine code benchmarks and matches the full-corpus run while using only half the tokens. less

Multi-component LLM agents assemble probabilistic claims from components that each see only part of a joint problem; the composition can violate basic probability axioms even when every component is locally coherent. We formalise this locally coherent, globally incoherent failure via the compositional residual eps*, the L2 distance from the composed quote to the joint coherent polytope, computable at runtime from system output and the declared cross-component coupling constraints. A product-structure dichotomy characterises when local coherence suffices, and a Rayleigh-quotient prediction matches the observed residual within 7% on three of four relation classes. A hierarchical Boyle-Dykstra projection repairs the composition deterministically; an anytime-valid e-process gives sequential coherence monitoring. Across 1,876 ensemble cliques on a four-LLM mid-tier panel (frontier-panel rerun in Section 5.5), eps* > 0 on 33-94% of cliques, translating to +0.115 nats per bet of regret on 1,770 resolved bets under the proportional allocation rule (the gain collapses to +0.006 under bettors that themselves coherentise). Three intuitive LLM-side mitigations(retrieval, partition-aware prompting, aggregator-LLM) each fail or regress. less

Vast quantities of compute (GPU cycles on personal workstations, idle inference servers, and edge devices between jobs) go unused because no incentive-aligned protocol exists for their owners to share them safely and profitably. Existing approaches either require a trusted central coordinator (cloud marketplaces), demand heavy blockchain infrastructure (Golem, BrokerChain), or lack an incentive layer entirely (BOINC, Petals). We propose SwarmHarness, a decentralised protocol in which HarnessAPI skill nodes self-organise into a compute swarm without any central authority. SwarmHarness has three interlocking components: a SwarmRegistry built on a Distributed Hash Table (DHT) for peer discovery and capability advertisement; a SwarmRouter that dispatches tasks to nodes using a utility function over capability, load, latency, and trust; and SwarmCredit, an incentive mechanism that attributes compute-credit rewards to contributing nodes via a Shapley-value approximation. Nodes earn credits by serving tasks and spend credits to submit them; idle nodes that never contribute drain credits and lose routing priority, creating a self-regulating participation economy. As nodes specialise toward high-reward skills and routing signals act as digital pheromones, the network exhibits emergent collective intelligence analogous to biological swarms. Beyond compute sharing, SwarmHarness is a foundational primitive for autonomous distributed AI agent networks in which agents hire compute, route subtasks, and settle credits without human intermediation. less