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Direct Preference Optimization (DPO) using an implicit reward model has proven to be an effective alternative to reinforcement learning from human feedback (RLHF) for fine-tuning preference aligned large language models (LLMs). However, the overall preference annotations of responses do not fully capture the fine-grained quality of model outputs in complex multi-step reasoning tasks, such as mathematical reasoning. To address this limitation, we introduce a novel algorithm called Step-level Value Preference Optimization (SVPO). Our approach employs Monte Carlo Tree Search (MCTS) to automatically annotate step-level preferences for multi-step reasoning. Furthermore, from the perspective of learning-to-rank, we train an explicit value model to replicate the behavior of the implicit reward model, complementing standard preference optimization. This value model enables the LLM to generate higher reward responses with minimal cost during inference. Experimental results demonstrate that our method achieves state-of-the-art performance on both in-domain and out-of-domain mathematical reasoning benchmarks., Comment: Ongoing Work

Although transition-metal nitrides have been widely applied for several decades, experimental investigations of their high-resolution electronic band structures are rare due to the lack of high-quality single-crystalline samples. Here, we report on the first momentum-resolved electronic band structures of titanium nitride (TiN) films, a remarkable nitride superconductor. The measurements of crystal structures and electrical transport properties confirmed the high quality of these films. More importantly, with a combination of high-resolution angle-resolved photoelectron spectroscopy and the first-principles calculations, the extracted Coulomb interaction strength of TiN films can be as large as 8.5 eV, whereas resonant photoemission spectroscopy yields a value of 6.26 eV. These large values of Coulomb interaction strength indicate that superconducting TiN is a strongly correlated system. Our results uncover the unexpected electronic correlations in transition-metal nitrides, potentially providing a perspective not only to understand their emergent quantum states but also to develop their applications in quantum devices., Comment: 11 pages, 5 figures

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods., Comment: update to the latest results

Simultaneous control of magnetic anisotropy and magnetoresistance, especially with atomic scale precision, remains a pivotal challenge for realizing advanced spintronic functionalities. Here we demonstrate cooperative continuous control over both magnetoresistance and magnetic anisotropy in highly strained La0.7Sr0.3MnO3 (LSMO) thin films. By inserting varying perovskite buffer layers, compressively strained LSMO films transition from a ferromagnetic insulator with out-of-plane magnetic anisotropy to a metallic state with in-plane anisotropy. Atomic-scale buffer layer insertion enables remarkably acute, precise control to sharply modulate this magnetic phase transformation. A gigantic 10,000% modulation of the colossal magnetoresistance (CMR) and an exceptionally sharp transition from out-of-plane to in-plane magnetic anisotropy are attained in just a few contiguous layers. These atomic-scale correlations among electronic, magnetic, and structural order parameters yield flexible multifunctional control promising for next-generation oxide spintronics., Comment: 18 pages, 4 figures

Elucidating the reasoning process with structured explanations from question to answer is crucial, as it significantly enhances the interpretability, traceability, and trustworthiness of question-answering (QA) systems. However, structured explanations demand models to perform intricately structured reasoning, which poses great challenges. Most existing methods focus on single-step reasoning through supervised learning, ignoring logical dependencies between steps. Moreover, existing reinforcement learning (RL) based methods overlook the structured relationships, underutilizing the potential of RL in structured reasoning. In this paper, we propose SEER, a novel method that maximizes a structure-based return to facilitate structured reasoning and explanation. Our proposed structure-based return precisely describes the hierarchical and branching structure inherent in structured reasoning, effectively capturing the intricate relationships between different reasoning steps. In addition, we introduce a fine-grained reward function to meticulously delineate diverse reasoning steps. Extensive experiments show that SEER significantly outperforms state-of-the-art methods, achieving an absolute improvement of 6.9% over RL-based methods on EntailmentBank, a 4.4% average improvement on STREET benchmark, and exhibiting outstanding efficiency and cross-dataset generalization performance. Our code is available at https://github.com/Chen-GX/SEER., Comment: Camera ready version for ACL 2024 Main Conference

Due to the ability of modeling relationships between two different types of entities, bipartite graphs are naturally employed in many real-world applications. Community Search in bipartite graphs is a fundamental problem and has gained much attention. However, existing studies focus on measuring the structural cohesiveness between two sets of vertices, while either completely ignoring the edge attributes or only considering one-dimensional importance in forming communities. In this paper, we introduce a novel community model, named edge-attributed skyline community (ESC), which not only preserves the structural cohesiveness but unravels the inherent dominance brought about by multi-dimensional attributes on the edges of bipartite graphs. To search the ESCs, we develop an elegant peeling algorithm by iteratively deleting edges with the minimum attribute in each dimension. In addition, we also devise a more efficient expanding algorithm to further reduce the search space and speed up the filtering of unpromising vertices, where a upper bound is proposed and proven. Extensive experiments on real-world large-scale datasets demonstrate the efficiency, effectiveness, and scalability of the proposed ESC search algorithms. A case study was conducted to compare with existing community models, substantiating that our approach facilitates the precision and diversity of results.

Community search is a personalized community discovery problem designed to identify densely connected subgraphs containing the query node. Recently, community search in heterogeneous information networks (HINs) has received considerable attention. Existing methods typically focus on modeling relationships in HINs through predefined meta-paths or user-specified relational constraints. However, metapath-based methods are primarily designed to identify single-type communities with nodes of the same type rather than multi-type communities involving nodes of different types. Constraint-based methods require users to have a good understanding of community patterns to define a suitable set of relational constraints, which increases the burden on users. In this paper, we propose FCS-HGNN, a novel method for flexibly identifying both single-type and multi-type communities in HINs. Specifically, FCS-HGNN extracts complementary information from different views and dynamically considers the contribution of each relation instead of treating them equally, thereby capturing more fine-grained heterogeneous information. Furthermore, to improve efficiency on large-scale graphs, we further propose LS-FCS-HGNN, which incorporates i) the neighbor sampling strategy to improve training efficiency, and ii) the depth-based heuristic search strategy to improve query efficiency. We conducted extensive experiments to demonstrate the superiority of our proposed methods over state-of-the-art methods, achieving average improvements of 14.3% and 11.1% on single-type and multi-type communities, respectively., Comment: Ongoing Work

The large language models have achieved superior performance on various natural language tasks. One major drawback of such approaches is they are resource-intensive in fine-tuning new datasets. Soft-prompt tuning presents a resource-efficient solution to fine-tune the pre-trained language models (PLMs) while keeping their weight frozen. Existing soft prompt methods mainly focus on designing the input-independent prompts that steer the model to fit the domain of the new dataset. Those methods often ignore the fine-grained information about the task and context of the text. In this paper, we propose a multi-level prompt tuning (MPrompt) method for machine reading comprehension. It utilizes prompts at task-specific, domain-specific, and context-specific levels to enhance the comprehension of input semantics at different granularities. We also propose an independence constraint to steer each domain-specific prompt to focus on information within its domain to avoid redundancy. Moreover, we present a prompt generator that incorporates context-related knowledge in the prompt generation to enhance contextual relevancy. We conducted extensive experiments on 12 benchmarks of various QA formats and achieved an average improvement of 1.94\% over the state-of-the-art methods., Comment: 13 pages, 5 figures, accepted by EMNLP2023-Findings

Most existing methods that address out-of-distribution (OOD) generalization for node classification on graphs primarily focus on a specific type of data biases, such as label selection bias or structural bias. However, anticipating the type of bias in advance is extremely challenging, and designing models solely for one specific type may not necessarily improve overall generalization performance. Moreover, limited research has focused on the impact of mixed biases, which are more prevalent and demanding in real-world scenarios. To address these limitations, we propose a novel Causality and Independence Enhancement (CIE) framework, applicable to various graph neural networks (GNNs). Our approach estimates causal and spurious features at the node representation level and mitigates the influence of spurious correlations through the backdoor adjustment. Meanwhile, independence constraint is introduced to improve the discriminability and stability of causal and spurious features in complex biased environments. Essentially, CIE eliminates different types of data biases from a unified perspective, without the need to design separate methods for each bias as before. To evaluate the performance under specific types of data biases, mixed biases, and low-resource scenarios, we conducted comprehensive experiments on five publicly available datasets. Experimental results demonstrate that our approach CIE not only significantly enhances the performance of GNNs but outperforms state-of-the-art debiased node classification methods., Comment: 10 pages, 5 figures, accepted by CIKM2023

Twin boundaries (TBs) are assumed to be obstacles to dislocation motion and increase the strength of metals. Here, we report the abnormal phenomenon that TBs reduce the strength of body-centered cubic (BCC) tungsten (W). [1-11]-oriented W nanowires with (121) twin planes and free of dislocations were fabricated by chemical vapor deposition. In situ tensile tests within the transmission electron microscope were performed on single-crystal and twinned W nanowires. The fracture strength of the twinned W nanowire was 13.7 GPa, 16% lower than that of the single-crystal W nanowire (16.3 GPa). The weakening mechanism of the TB was revealed by a combination of atomic-resolution characterizations and atomistic simulations. Twinned W nanowires failed by the early nucleation of a crack at the intersection of the TB with the surface. The standard strengthening mechanism by dislocation/TB interaction was not operative in W because the high Peierls barrier and stacking fault energy in W hinder dislocation nucleation and glide. These findings provide a new insight into the influence of TBs on the mechanical properties of BCC metals.

Intercalation of non-van der Waals (vdW) layered materials can produce new 2D and 3D materials with unique properties, but it is difficult to achieve. Here, we describe a structural editing protocol for 3D non-vdW layered ternary carbides and nitrides (MAX phases) and their 2D vdW derivatives (MXenes). Gap-opening and species-intercalating stages were mediated by chemical scissors and guest intercalants, creating a large family of layered materials with unconventional elements and structures in MAX phases, as well as MXenes with versatile termination species. Removal of surface terminations by metal scissors and stitching of carbide layers by metal atoms leads to a reverse transformation from MXenes to MAX phases, and metal-intercalated 2D carbides. This scissor-mediated structural editing may enable structural and chemical tailoring of other layered ceramics.