Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study

Efficient and inexpensive energy storage is essential for accelerating the adoption of renewable energy and ensuring a stable supply, despite fluctuations in sources such as wind and solar. Electrocatalysts play a key role in hydrogen energy storage (HES), allowing the energy to be stored as hydrogen. However, the development of affordable and high-performance catalysts for this process remains a significant challenge. We introduce Catalyst GFlowNet, a generative model that leverages machine learning-based predictors of formation and adsorption energy to design crystal surfaces that act as efficient catalysts. We demonstrate the performance of the model through a proof-of-concept application to the hydrogen evolution reaction, a key reaction in HES, for which we successfully identified platinum as the most efficient known catalyst. In future work, we aim to extend this approach to the oxygen evolution reaction, where current optimal catalysts are expensive metal oxides, and open the search space to discover new materials. This generative modeling framework offers a promising pathway for accelerating the search for novel and efficient catalysts.

Visual Programmability: A Guide for Code-as-Thought in Chart Understanding

Chart understanding presents a critical test to the reasoning capabilities of Vision-Language Models (VLMs). Prior approaches face critical limitations: some rely on external tools, making them brittle and constrained by a predefined toolkit, while others fine-tune specialist models that often adopt a single reasoning strategy, such as text-based chain-of-thought (CoT). The intermediate steps of text-based reasoning are difficult to verify, which complicates the use of reinforcement-learning signals that reward factual accuracy. To address this, we propose a Code-as-Thought (CaT) approach to represent the visual information of a chart in a verifiable, symbolic format. Our key insight is that this strategy must be adaptive: a fixed, code-only implementation consistently fails on complex charts where symbolic representation is unsuitable. This finding leads us to introduce Visual Programmability: a learnable property that determines if a chart-question pair is better solved with code or direct visual analysis. We implement this concept in an adaptive framework where a VLM learns to choose between the CaT pathway and a direct visual reasoning pathway. The selection policy of the model is trained with reinforcement learning using a novel dual-reward system. This system combines a data-accuracy reward to ground the model in facts and prevent numerical hallucination, with a decision reward that teaches the model when to use each strategy, preventing it from defaulting to a single reasoning mode. Experiments demonstrate strong and robust performance across diverse chart-understanding benchmarks. Our work shows that VLMs can be taught not only to reason but also how to reason, dynamically selecting the optimal reasoning pathway for each task.

The Carbon Footprint Wizard: A Knowledge-Augmented AI Interface for Streamlining Food Carbon Footprint Analysis

Environmental sustainability, particularly in relation to climate change, is a key concern for consumers, producers, and policymakers. The carbon footprint, based on greenhouse gas emissions, is a standard metric for quantifying the contribution to climate change of activities and is often assessed using life cycle assessment (LCA). However, conducting LCA is complex due to opaque and global supply chains, as well as fragmented data. This paper presents a methodology that combines advances in LCA and publicly available databases with knowledge-augmented AI techniques, including retrieval-augmented generation, to estimate cradle-to-gate carbon footprints of food products. We introduce a chatbot interface that allows users to interactively explore the carbon impact of composite meals and relate the results to familiar activities. A live web demonstration showcases our proof-of-concept system with arbitrary food items and follow-up questions, highlighting both the potential and limitations - such as database uncertainties and AI misinterpretations - of delivering LCA insights in an accessible format.

Semantic Analysis of SNOMED CT Concept Co-occurrences in Clinical Documentation using MIMIC-IV

Clinical notes contain rich clinical narratives but their unstructured format poses challenges for large-scale analysis. Standardized terminologies such as SNOMED CT improve interoperability, yet understanding how concepts relate through co-occurrence and semantic similarity remains underexplored. In this study, we leverage the MIMIC-IV database to investigate the relationship between SNOMED CT concept co-occurrence patterns and embedding-based semantic similarity. Using Normalized Pointwise Mutual Information (NPMI) and pretrained embeddings (e.g., ClinicalBERT, BioBERT), we examine whether frequently co-occurring concepts are also semantically close, whether embeddings can suggest missing concepts, and how these relationships evolve temporally and across specialties. Our analyses reveal that while co-occurrence and semantic similarity are weakly correlated, embeddings capture clinically meaningful associations not always reflected in documentation frequency. Embedding-based suggestions frequently matched concepts later documented, supporting their utility for augmenting clinical annotations. Clustering of concept embeddings yielded coherent clinical themes (symptoms, labs, diagnoses, cardiovascular conditions) that map to patient phenotypes and care patterns. Finally, co-occurrence patterns linked to outcomes such as mortality and readmission demonstrate the practical utility of this approach. Collectively, our findings highlight the complementary value of co-occurrence statistics and semantic embeddings in improving documentation completeness, uncovering latent clinical relationships, and informing decision support and phenotyping applications.

Understanding and Mitigating Errors of LLM-Generated RTL Code

Despite the promising potential of large language model (LLM) based register-transfer-level (RTL) code generation, the overall success rate remains unsatisfactory. Errors arise from various factors, with limited understanding of specific failure causes hindering improvement. To address this, we conduct a comprehensive error analysis and manual categorization. Our findings reveal that most errors stem not from LLM reasoning limitations, but from insufficient RTL programming knowledge, poor understanding of circuit concepts, ambiguous design descriptions, or misinterpretation of complex multimodal inputs. Leveraging in-context learning, we propose targeted error correction techniques. Specifically, we construct a domain-specific knowledge base and employ retrieval-augmented generation (RAG) to supply necessary RTL knowledge. To mitigate ambiguity errors, we introduce design description rules and implement a rule-checking mechanism. For multimodal misinterpretation, we integrate external tools to convert inputs into LLM-compatible meta-formats. For remaining errors, we adopt an iterative debugging loop (simulation-error localization-correction). Integrating these techniques into an LLM-based framework significantly improves performance. We incorporate these error correction techniques into a foundational LLM-based RTL code generation framework, resulting in significantly improved performance. Experimental results show that our enhanced framework achieves 91.0\% accuracy on the VerilogEval benchmark, surpassing the baseline code generation approach by 32.7\%, demonstrating the effectiveness of our methods.

Tabular Data Understanding with LLMs: A Survey of Recent Advances and Challenges

Tables have gained significant attention in large language models (LLMs) and multimodal large language models (MLLMs) due to their complex and flexible structure. Unlike linear text inputs, tables are two-dimensional, encompassing formats that range from well-structured database tables to complex, multi-layered spreadsheets, each with different purposes. This diversity in format and purpose has led to the development of specialized methods and tasks, instead of universal approaches, making navigation of table understanding tasks challenging. To address these challenges, this paper introduces key concepts through a taxonomy of tabular input representations and an introduction of table understanding tasks. We highlight several critical gaps in the field that indicate the need for further research: (1) the predominance of retrieval-focused tasks that require minimal reasoning beyond mathematical and logical operations; (2) significant challenges faced by models when processing complex table structures, large-scale tables, length context, or multi-table scenarios; and (3) the limited generalization of models across different tabular representations and formats.

UAV-Borne Digital Radar System for Coherent Multistatic SAR Imaging

Advancements in analog-to-digital converter (ADC) technology have enabled higher sampling rates, making it feasible to adopt digital radar architectures that directly sample the radio-frequency (RF) signal, eliminating the need for analog downconversion. This digital approach supports greater flexibility in waveform design and signal processing, particularly through digital modulation schemes like orthogonal frequency division multiplexing (OFDM). This paper presents a digital radar system mounted on an uncrewed aerial vehicle (UAV), which employs OFDM waveforms for coherent multistatic synthetic aperture radar (SAR) imaging in the L-band. The radar setup features a primary UAV node responsible for signal transmission and monostatic data acquisition, alongside secondary nodes that operate in a receive-only mode. These secondary nodes capture the radar signal reflected from the scene as well as a direct sidelink signal. RF signals from both the radar and sidelink paths are sampled and processed offline. To manage data storage efficiently, a trigger mechanism is employed to record only the relevant portions of the radar signal. The system maintains coherency in both fast-time and slow-time domains, which is essential for multistatic SAR imaging. Because the secondary nodes are passive, the system can be easily scaled to accommodate a larger swarm of UAVs. The paper details the full signal processing workflow for both monostatic and multistatic SAR image formation, including an analysis and correction of synchronization errors that arise from the uncoupled operation of the nodes. The proposed coherent processing method is validated through static radar measurements, demonstrating coherency achieved by the concept. Additionally, a UAV-based bistatic SAR experiment demonstrates the system's performance by producing high-resolution monostatic, bistatic, and combined multistatic SAR images.

Text2VLM: Adapting Text-Only Datasets to Evaluate Alignment Training in Visual Language Models

The increasing integration of Visual Language Models (VLMs) into AI systems necessitates robust model alignment, especially when handling multimodal content that combines text and images. Existing evaluation datasets heavily lean towards text-only prompts, leaving visual vulnerabilities under evaluated. To address this gap, we propose \textbf{Text2VLM}, a novel multi-stage pipeline that adapts text-only datasets into multimodal formats, specifically designed to evaluate the resilience of VLMs against typographic prompt injection attacks. The Text2VLM pipeline identifies harmful content in the original text and converts it into a typographic image, creating a multimodal prompt for VLMs. Also, our evaluation of open-source VLMs highlights their increased susceptibility to prompt injection when visual inputs are introduced, revealing critical weaknesses in the current models' alignment. This is in addition to a significant performance gap compared to closed-source frontier models. We validate Text2VLM through human evaluations, ensuring the alignment of extracted salient concepts; text summarization and output classification align with human expectations. Text2VLM provides a scalable tool for comprehensive safety assessment, contributing to the development of more robust safety mechanisms for VLMs. By enhancing the evaluation of multimodal vulnerabilities, Text2VLM plays a role in advancing the safe deployment of VLMs in diverse, real-world applications.

Beyond the Linear Separability Ceiling

Most state-of-the-art Visual-Language Models (VLMs) are seemingly limited by the linear separabilty of their visual embeddings on abstract reasoning tasks. This work investigates this "linear reasoning bottleneck" by introducing the Linear Separability Ceiling (LSC), the performance of a simple linear classifier on a VLM's visual embeddings. We find this bottleneck is widespread and stems not from poor perception, but from failures in the language model's reasoning pathways. We demonstrate this is a solvable alignment issue. The required intervention, however, is task-dependent: activating existing pathways suffices for semantic concepts, while complex relational reasoning requires adapting core model weights. Using postfix tuning as a methodological control, we find strong evidence for powerful, dormant reasoning pathways within VLMs. However, for complex relational tasks requiring deeper adaptation, explicitly improving representation quality causes the model to fail on new prompt formats despite its embeddings remaining well separated. Ultimately, this work provides a new lens for VLM analysis, showing that robust reasoning is a matter of targeted alignment, not simply improved representation learning.

TopK Language Models

Sparse autoencoders (SAEs) have become an important tool for analyzing and interpreting the activation space of transformer-based language models (LMs). However, SAEs suffer several shortcomings that diminish their utility and internal validity. Since SAEs are trained post-hoc, it is unclear if the failure to discover a particular concept is a failure on the SAE's side or due to the underlying LM not representing this concept. This problem is exacerbated by training conditions and architecture choices affecting which features an SAE learns. When tracing how LMs learn concepts during training, the lack of feature stability also makes it difficult to compare SAEs features across different checkpoints. To address these limitations, we introduce a modification to the transformer architecture that incorporates a TopK activation function at chosen layers, making the model's hidden states equivalent to the latent features of a TopK SAE. This approach eliminates the need for post-hoc training while providing interpretability comparable to SAEs. The resulting TopK LMs offer a favorable trade-off between model size, computational efficiency, and interpretability. Despite this simple architectural change, TopK LMs maintain their original capabilities while providing robust interpretability benefits. Our experiments demonstrate that the sparse representations learned by TopK LMs enable successful steering through targeted neuron interventions and facilitate detailed analysis of neuron formation processes across checkpoints and layers. These features make TopK LMs stable and reliable tools for understanding how language models learn and represent concepts, which we believe will significantly advance future research on model interpretability and controllability.