Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling domain-specific formulas, executing reasoning steps accurately, and integrating code effectively when tackling chemical reasoning tasks. To address these challenges, we present ChemAgent, a novel framework designed to improve the performance of LLMs through a dynamic, self-updating library. This library is developed by decomposing chemical tasks into sub-tasks and compiling these sub-tasks into a structured collection that can be referenced for future queries. Then, when presented with a new problem, ChemAgent retrieves and refines pertinent information from the library, which we call memory, facilitating effective task decomposition and the generation of solutions. Our method designs three types of memory and a library-enhanced reasoning component, enabling LLMs to improve over time through experience. Experimental results on four chemical reasoning datasets from SciBench demonstrate that ChemAgent achieves performance gains of up to 46% (GPT-4), significantly outperforming existing methods. Our findings suggest substantial potential for future applications, including tasks such as drug discovery and materials science. Our code can be found at https://github.com/gersteinlab/chemagent

Large language models (LLMs) have demonstrated limitations in handling combinatorial optimization problems involving long-range reasoning, partially due to causal hallucinations and huge search space. As for causal hallucinations, i.e., the inconsistency between reasoning and corresponding state transition, this paper introduces the Causal Relationship Enhancement (CRE) mechanism combining cause-effect interventions and the Individual Treatment Effect (ITE) to guarantee the solid causal rightness between each step of reasoning and state transition. As for the long causal range and huge search space limiting the performances of existing models featuring single-direction search, a Dual-End Searching (DES) approach is proposed to seek solutions by simultaneously starting from both the initial and goal states on the causal probability tree. By integrating CRE and DES (CreDes), our model has realized simultaneous multi-step reasoning, circumventing the inefficiencies from cascading multiple one-step reasoning like the Chain-of-Thought (CoT). Experiments demonstrate that CreDes significantly outperforms existing State-Of-The-Art (SOTA) solutions in long-range reasoning tasks in terms of both accuracy and time efficiency.

Chain-based reasoning methods like chain of thought (CoT) play a rising role in solving reasoning tasks for large language models (LLMs). However, the causal illusions between \textit{a step of reasoning} and \textit{corresponding state transitions} are becoming a significant obstacle to advancing LLMs' reasoning capabilities, especially in long-range reasoning tasks. This paper proposes a non-chain-based reasoning framework for simultaneous consideration of causal significance and consistency, i.e., the Causal Significance and Consistency Enhancer (CSCE). We customize LLM's loss function utilizing treatment effect assessments to enhance its reasoning ability from two aspects: causal significance and consistency. This ensures that the model captures essential causal relationships and maintains robust and consistent performance across various scenarios. Additionally, we transform the reasoning process from the cascading multiple one-step reasoning commonly used in Chain-Based methods, like CoT, to a causal-enhanced method that outputs the entire reasoning process in one go, further improving the model's reasoning efficiency. Extensive experiments show that our method improves both the reasoning success rate and speed. These improvements further demonstrate that non-chain-based methods can also aid LLMs in completing reasoning tasks.

This paper examines an online multi-task learning (OMTL) method, which processes data sequentially to predict labels across related tasks. The framework learns task weights and their relatedness concurrently. Unlike previous models that assumed static task relatedness, our approach treats tasks as initially independent, updating their relatedness iteratively using newly calculated weight vectors. We introduced three rules to update the task relatedness matrix: OMTLCOV, OMTLLOG, and OMTLVON, and compared them against a conventional method (CMTL) that uses a fixed relatedness value. Performance evaluations on three datasets a spam dataset and two EEG datasets from construction workers under varying conditions demonstrated that our OMTL methods outperform CMTL, improving accuracy by 1% to 3% on EEG data, and maintaining low error rates around 12% on the spam dataset.

The safe and stable operation of power systems is greatly challenged by the high variability and randomness of wind power in large-scale wind-power-integrated grids. Wind power forecasting is an effective solution to tackle this issue, with wind speed forecasting being an essential aspect. In this paper, a Graph-attentive Frequency-enhanced Spatial-Temporal Wind Speed Forecasting model based on graph attention and frequency-enhanced mechanisms, i.e., GFST-WSF, is proposed to improve the accuracy of short-term wind speed forecasting. The GFST-WSF comprises a Transformer architecture for temporal feature extraction and a Graph Attention Network (GAT) for spatial feature extraction. The GAT is specifically designed to capture the complex spatial dependencies among wind speed stations to effectively aggregate information from neighboring nodes in the graph, thus enhancing the spatial representation of the data. To model the time lag in wind speed correlation between adjacent wind farms caused by geographical factors, a dynamic complex adjacency matrix is formulated and utilized by the GAT. Benefiting from the effective spatio-temporal feature extraction and the deep architecture of the Transformer, the GFST-WSF outperforms other baselines in wind speed forecasting for the 6-24 hours ahead forecast horizon in case studies.