Tianshu Yu

Huan Zhang, Yizhan Li, Wenhao Huang et al. · mila

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.

Zhang-Hua Fu, Sipeng Sun, Jintong Ren et al.

For prohibitively large-scale Travelling Salesman Problems (TSPs), existing algorithms face big challenges in terms of both computational efficiency and solution quality. To address this issue, we propose a hierarchical destroy-and-repair (HDR) approach, which attempts to improve an initial solution by applying a series of carefully designed destroy-and-repair operations. A key innovative concept is the hierarchical search framework, which recursively fixes partial edges and compresses the input instance into a small-scale TSP under some equivalence guarantee. This neat search framework is able to deliver highly competitive solutions within a reasonable time. Fair comparisons based on nineteen famous large-scale instances (with 10,000 to 10,000,000 cities) show that HDR is highly competitive against existing state-of-the-art TSP algorithms, in terms of both efficiency and solution quality. Notably, on two large instances with 3,162,278 and 10,000,000 cities, HDR breaks the world records (i.e., best-known results regardless of computation time), which were previously achieved by LKH and its variants, while HDR is completely independent of LKH. Finally, ablation studies are performed to certify the importance and validity of the hierarchical search framework.

Haoyu Zhang, Yu Wang, Guanghao Yin et al.

Though Multimodal Sentiment Analysis (MSA) proves effective by utilizing rich information from multiple sources (e.g., language, video, and audio), the potential sentiment-irrelevant and conflicting information across modalities may hinder the performance from being further improved. To alleviate this, we present Adaptive Language-guided Multimodal Transformer (ALMT), which incorporates an Adaptive Hyper-modality Learning (AHL) module to learn an irrelevance/conflict-suppressing representation from visual and audio features under the guidance of language features at different scales. With the obtained hyper-modality representation, the model can obtain a complementary and joint representation through multimodal fusion for effective MSA. In practice, ALMT achieves state-of-the-art performance on several popular datasets (e.g., MOSI, MOSEI and CH-SIMS) and an abundance of ablation demonstrates the validity and necessity of our irrelevance/conflict suppression mechanism.

Haoyu Zhang, Wenbin Wang, Tianshu Yu

The field of Multimodal Sentiment Analysis (MSA) has recently witnessed an emerging direction seeking to tackle the issue of data incompleteness. Recognizing that the language modality typically contains dense sentiment information, we consider it as the dominant modality and present an innovative Language-dominated Noise-resistant Learning Network (LNLN) to achieve robust MSA. The proposed LNLN features a dominant modality correction (DMC) module and dominant modality based multimodal learning (DMML) module, which enhances the model's robustness across various noise scenarios by ensuring the quality of dominant modality representations. Aside from the methodical design, we perform comprehensive experiments under random data missing scenarios, utilizing diverse and meaningful settings on several popular datasets (\textit{e.g.,} MOSI, MOSEI, and SIMS), providing additional uniformity, transparency, and fairness compared to existing evaluations in the literature. Empirically, LNLN consistently outperforms existing baselines, demonstrating superior performance across these challenging and extensive evaluation metrics.