Tony
Abstract:Multimodal Graph Neural Networks (MGNNs) have shown strong potential for learning from multimodal attributed graphs, yet most existing approaches rely on tightly coupled architectures that suffer from prohibitive computational overhead. In this paper, we present a systematic empirical analysis showing that decoupled MGNNs are substantially more efficient and scalable for large-scale graph learning. However, we identify a critical bottleneck in existing decoupled pipelines, namely modal conflict, which arises in both the propagation and aggregation stages. Specifically, independent multi-hop diffusion causes cross-modal semantic divergence during propagation, while naive fusion fails to align multi-hop feature trajectories during aggregation, jointly limiting effective representation learning. To address this challenge, we propose CAMPA, a Cross-modal Aligned Multimodal Propagation & Aggregation framework for decoupled multimodal graph learning. Concretely, CAMPA introduces a two-stage alignment mechanism: (1) cross-modal aligned propagation, which injects cross-modal similarity priors into message passing to preserve semantic consistency without additional parameter overhead; (2) trajectory aligned aggregation, which leverages trajectory-level self-attention and cross-attention to capture and align long-range dependencies across modalities and hops. Extensive experiments on diverse benchmark datasets and tasks demonstrate that CAMPA consistently outperforms strong coupled and decoupled baselines while preserving the efficiency advantages of the decoupled paradigm.
Abstract:A vision-language model can look at a knot diagram and report what it sees, yet fail to act on that structure. KnotBench pairs an 858,318-image corpus from 1,951 prime-knot prototypes (crossing numbers 3 to 19) with a protocol whose answers are checked against Regina's canonical knot signature. Its 14 tasks span four families, equivalence judgment, move prediction, identification, and cross-modal grounding; an image-versus-symbol split locates failures along the perception-operation gap. We score Claude Opus 4.7 and GPT-5, each with and without thinking, under a 64K output-token budget matched on both vendors. Across 56 (task, model) cases, 15 sit at or below a random baseline and 8 of 14 tasks have a best score under 1.5x random. On diagram-to-symbol transcription, no model produces a strictly correct string, and permissive Regina decoding recovers the knot in 0 to 4 of 100 items. Thinking-mode reasoning lifts overall accuracy by 1.65 points for Claude and 9.25 points for GPT-5, narrowing the gap only modestly. Read together, the four families suggest current vision-language models hold features of a diagram but lack apparatus to simulate moves on those features.
Abstract:Running deep neural networks on microcontroller units (MCUs) is severely constrained by limited memory resources. While TinyML techniques reduce model size and computation, they often fail in practice due to excessive peak Random Access Memory (RAM) usage during inference, dominated by intermediate activations. As a result, many models remain infeasible on standalone MCUs. In this work, we present a fine-grained split inference system for networked MCUs that enables collaborative inference of Convolutional Neural Networks (CNN) models across multiple devices. Our key insight is that breaking the memory bottleneck requires splitting inference at sub-layer granularity rather than at layer boundaries. We reinterpret pre-trained models to enable kernel-wise and neuron-wise partitioning, and distribute both model parameters and intermediate activations across multiple MCUs. A lightweight, resource-aware coordinator orchestrates the inference across MCU devices with heterogeneous resources. We implement the proposed system on a real testbed and evaluate it on up to 8 MCUs using MobileNetV2, a representative CNN model. Our experimental results show that CNN models infeasible on a single MCU can be executed across networked MCUs, reducing the per-MCU peak RAM usage while maintaining the practical end-to-end inference latency. All the source code of this work can be found here: https://github.com/shashsuresh/split-inference-on-MCUs.
Abstract:The scaling laws guiding modern model training were calibrated for a single regime: data-rich, single-epoch pretraining. The dominant such scaling law form, Chinchilla's $L = E + A/N^α+ B/D^β$, has three structural limitations outside that regime: it diverges as unique data shrinks instead of saturating at the uninformed baseline; it cannot represent overfitting when capacity exceeds the data; and it conflates total examples seen with unique examples available. We propose a closed-form extension, $L(N, D, T) = E + (L_0 - E)\,h/(1+h)$ with $h = a/N^α+ b/T^β+ c\,N^γ/D^δ$, that decomposes loss into undercapacity, undertraining, and overfitting terms. It saturates between the irreducible loss $E$ and an uninformed baseline $L_0$ fixed by the loss type, and reduces to Chinchilla in the data-rich, single-epoch limit. We validate it on four multi-epoch experiments spanning four architecture families (MLPs, ResNets, Fourier neural operators, and transformers) across vision, scientific ML, and language domains, and refit it to five published LLM scaling-law grids. Extrapolating to higher compute and larger unique data than seen at fit time, our form achieves state-of-the-art RMSE on every published LLM grid we evaluate and on most cells of our constructed experiments. Once calibrated, the form admits a cost-aware allocation that recovers Chinchilla's optimum when data is free and shifts toward smaller corpora and more epochs as data grows expensive.
Abstract:Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.
Abstract:Symbolic regression (SR), the task of discovering mathematical expressions that best describe a given dataset, remains a fundamental challenge in scientific discovery. Traditional approaches, primarily based on genetic algorithms and related evolutionary methods, have proven useful but suffer from scalability and expressivity limitations. Recently, large language model (LLM)-based evolutionary search methods have been introduced into SR and show promise. However, existing LLM-based approaches typically rely on scalar evaluation metrics, such as mean squared error, as the sole source of feedback during the search process, thereby overlooking the rich information embedded in the dataset. To address this limitation, we propose a novel LLM-based evolutionary search framework that incorporates programmatic context augmentation. By enabling code-based interactions with the dataset, our method can actively perform data analysis and extract informative signals, beyond aggregated evaluation scores. We evaluate our framework on advanced benchmarks, such as LLM-SRBench, and demonstrate superior efficiency and accuracy compared to strong baselines.
Abstract:Source code and its accompanying comments are complementary yet naturally aligned modalities-code encodes structural logic while comments capture developer intent. However, existing vulnerability detection methods mostly rely on single-modality code representations, overlooking the complementary semantic information embedded in comments and thus limiting their generalization across complex code structures and logical relationships. To address this, we propose MultiVul, a multimodal contrastive framework that aligns code and comment representations through dual similarity learning and consistency regularization, augmented with diverse code-text pairs to improve robustness. Experiments on widely adopted DiverseVul and Devign datasets across four large language models (LLMs) (i.e., DeepSeek-Coder-6.7B, Qwen2.5-Coder-7B, StarCoder2-7B, and CodeLlama-7B) show that MultiVul achieves up to 27.07% F1 improvement over prompting-based methods and 13.37% over code-only Fine-Tuning, while maintaining comparable inference efficiency.
Abstract:Multimodal large language models (MLLMs) have shown promising reasoning abilities, yet evaluating their performance in specialized domains remains challenging. STEM reasoning is a particularly valuable testbed because it provides highly verifiable feedback, but existing benchmarks often permit unimodal shortcuts due to modality redundancy and focus mainly on final-answer accuracy, overlooking the reasoning process itself. To address this challenge, we introduce StepSTEM: a graduate-level benchmark of 283 problems across mathematics, physics, chemistry, biology, and engineering for fine-grained evaluation of cross-modal reasoning in MLLMs. StepSTEM is constructed through a rigorous curation pipeline that enforces strict complementarity between textual and visual inputs. We further propose a general step-level evaluation framework for both text-only chain-of-thought and interleaved image-text reasoning, using dynamic programming to align predicted reasoning steps with multiple reference solutions. Experiments across a wide range of models show that current MLLMs still rely heavily on textual reasoning, with even Gemini 3.1 Pro and Claude Opus 4.6 achieving only 38.29% accuracy. These results highlight substantial headroom for genuine cross-modal STEM reasoning and position StepSTEM as a benchmark for fine-grained evaluation of multimodal reasoning. Source code is available at https://github.com/lll-hhh/STEPSTEM.
Abstract:Recent advancements in audio-video joint generation models have demonstrated impressive capabilities in content creation. However, generating high-fidelity human-centric videos in complex, real-world physical scenes remains a significant challenge. We identify that the root cause lies in the structural deficiencies of existing datasets across three dimensions: limited global scene and camera diversity, sparse interaction modeling (both person-person and person-object), and insufficient individual attribute alignment. To bridge these gaps, we present OmniHuman, a large-scale, multi-scene dataset designed for fine-grained human modeling. OmniHuman provides a hierarchical annotation covering video-level scenes, frame-level interactions, and individual-level attributes. To facilitate this, we develop a fully automated pipeline for high-quality data collection and multi-modal annotation. Complementary to the dataset, we establish the OmniHuman Benchmark (OHBench), a three-level evaluation system that provides a scientific diagnosis for human-centric audio-video synthesis. Crucially, OHBench introduces metrics that are highly consistent with human perception, filling the gaps in existing benchmarks by providing a comprehensive diagnosis across global scenes, relational interactions, and individual attributes.
Abstract:Urban traffic control is a system-level coordination problem spanning heterogeneous subsystems, including traffic signals, freeways, public transit, and taxi services. Existing optimization-based, reinforcement learning (RL), and emerging LLM-based approaches are largely designed for isolated tasks, limiting both cross-task generalization and the ability to capture coupled physical dynamics across subsystems. We argue that effective system-level control requires a unified physical environment in which subsystems share infrastructure, mobility demand, and spatiotemporal constraints, allowing local interventions to propagate through the network. To this end, we propose TrafficClaw, a framework for general urban traffic control built upon a unified runtime environment. TrafficClaw integrates heterogeneous subsystems into a shared dynamical system, enabling explicit modeling of cross-subsystem interactions and closed-loop agent-environment feedback. Within this environment, we develop an LLM agent with executable spatiotemporal reasoning and reusable procedural memory, supporting unified diagnostics across subsystems and continual strategy refinement. Furthermore, we introduce a multi-stage training pipeline with supervised initialization and agentic RL with system-level optimization, further enabling coordinated and system-aware performance. Experiments demonstrate that TrafficClaw achieves robust, transferable, and system-aware performance across unseen traffic scenarios, dynamics, and task configurations. Our project is available at https://github.com/usail-hkust/TrafficClaw.