$\texttt{PatentAgent}$: Intelligent Agent for Automated Pharmaceutical Patent Analysis

Pharmaceutical patents play a vital role in biochemical industries, especially in drug discovery, providing researchers with unique early access to data, experimental results, and research insights. With the advancement of machine learning, patent analysis has evolved from manual labor to tasks assisted by automatic tools. However, there still lacks an unified agent that assists every aspect of patent analysis, from patent reading to core chemical identification. Leveraging the capabilities of Large Language Models (LLMs) to understand requests and follow instructions, we introduce the $\textbf{first}$ intelligent agent in this domain, $\texttt{PatentAgent}$, poised to advance and potentially revolutionize the landscape of pharmaceutical research. $\texttt{PatentAgent}$ comprises three key end-to-end modules -- $\textit{PA-QA}$, $\textit{PA-Img2Mol}$, and $\textit{PA-CoreId}$ -- that respectively perform (1) patent question-answering, (2) image-to-molecular-structure conversion, and (3) core chemical structure identification, addressing the essential needs of scientists and practitioners in pharmaceutical patent analysis. Each module of $\texttt{PatentAgent}$ demonstrates significant effectiveness with the updated algorithm and the synergistic design of $\texttt{PatentAgent}$ framework. $\textit{PA-Img2Mol}$ outperforms existing methods across CLEF, JPO, UOB, and USPTO patent benchmarks with an accuracy gain between 2.46% and 8.37% while $\textit{PA-CoreId}$ realizes accuracy improvement ranging from 7.15% to 7.62% on PatentNetML benchmark. Our code and dataset will be publicly available.

MEGA: Memory-Efficient 4D Gaussian Splatting for Dynamic Scenes

4D Gaussian Splatting (4DGS) has recently emerged as a promising technique for capturing complex dynamic 3D scenes with high fidelity. It utilizes a 4D Gaussian representation and a GPU-friendly rasterizer, enabling rapid rendering speeds. Despite its advantages, 4DGS faces significant challenges, notably the requirement of millions of 4D Gaussians, each with extensive associated attributes, leading to substantial memory and storage cost. This paper introduces a memory-efficient framework for 4DGS. We streamline the color attribute by decomposing it into a per-Gaussian direct color component with only 3 parameters and a shared lightweight alternating current color predictor. This approach eliminates the need for spherical harmonics coefficients, which typically involve up to 144 parameters in classic 4DGS, thereby creating a memory-efficient 4D Gaussian representation. Furthermore, we introduce an entropy-constrained Gaussian deformation technique that uses a deformation field to expand the action range of each Gaussian and integrates an opacity-based entropy loss to limit the number of Gaussians, thus forcing our model to use as few Gaussians as possible to fit a dynamic scene well. With simple half-precision storage and zip compression, our framework achieves a storage reduction by approximately 190$\times$ and 125$\times$ on the Technicolor and Neural 3D Video datasets, respectively, compared to the original 4DGS. Meanwhile, it maintains comparable rendering speeds and scene representation quality, setting a new standard in the field.

Prediction by Machine Learning Analysis of Genomic Data Phenotypic Frost Tolerance in Perccottus glenii

Analysis of the genome sequence of Perccottus glenii, the only fish known to possess freeze tolerance, holds significant importance for understanding how organisms adapt to extreme environments, Traditional biological analysis methods are time-consuming and have limited accuracy, To address these issues, we will employ machine learning techniques to analyze the gene sequences of Perccottus glenii, with Neodontobutis hainanens as a comparative group, Firstly, we have proposed five gene sequence vectorization methods and a method for handling ultra-long gene sequences, We conducted a comparative study on the three vectorization methods: ordinal encoding, One-Hot encoding, and K-mer encoding, to identify the optimal encoding method, Secondly, we constructed four classification models: Random Forest, LightGBM, XGBoost, and Decision Tree, The dataset used by these classification models was extracted from the National Center for Biotechnology Information database, and we vectorized the sequence matrices using the optimal encoding method, K-mer, The Random Forest model, which is the optimal model, achieved a classification accuracy of up to 99, 98 , Lastly, we utilized SHAP values to conduct an interpretable analysis of the optimal classification model, Through ten-fold cross-validation and the AUC metric, we identified the top 10 features that contribute the most to the model's classification accuracy, This demonstrates that machine learning methods can effectively replace traditional manual analysis in identifying genes associated with the freeze tolerance phenotype in Perccottus glenii.

Poison-splat: Computation Cost Attack on 3D Gaussian Splatting

3D Gaussian splatting (3DGS), known for its groundbreaking performance and efficiency, has become a dominant 3D representation and brought progress to many 3D vision tasks. However, in this work, we reveal a significant security vulnerability that has been largely overlooked in 3DGS: the computation cost of training 3DGS could be maliciously tampered by poisoning the input data. By developing an attack named Poison-splat, we reveal a novel attack surface where the adversary can poison the input images to drastically increase the computation memory and time needed for 3DGS training, pushing the algorithm towards its worst computation complexity. In extreme cases, the attack can even consume all allocable memory, leading to a Denial-of-Service (DoS) that disrupts servers, resulting in practical damages to real-world 3DGS service vendors. Such a computation cost attack is achieved by addressing a bi-level optimization problem through three tailored strategies: attack objective approximation, proxy model rendering, and optional constrained optimization. These strategies not only ensure the effectiveness of our attack but also make it difficult to defend with simple defensive measures. We hope the revelation of this novel attack surface can spark attention to this crucial yet overlooked vulnerability of 3DGS systems.

DecorateLM: Data Engineering through Corpus Rating, Tagging, and Editing with Language Models

The performance of Large Language Models (LLMs) is substantially influenced by the pretraining corpus, which consists of vast quantities of unsupervised data processed by the models. Despite its critical role in model performance, ensuring the quality of this data is challenging due to its sheer volume and the absence of sample-level quality annotations and enhancements. In this paper, we introduce DecorateLM, a data engineering method designed to refine the pretraining corpus through data rating, tagging and editing. Specifically, DecorateLM rates texts against quality criteria, tags texts with hierarchical labels, and edits texts into a more formalized format. Due to the massive size of the pretraining corpus, adopting an LLM for decorating the entire corpus is less efficient. Therefore, to balance performance with efficiency, we curate a meticulously annotated training corpus for DecorateLM using a large language model and distill data engineering expertise into a compact 1.2 billion parameter small language model (SLM). We then apply DecorateLM to enhance 100 billion tokens of the training corpus, selecting 45 billion tokens that exemplify high quality and diversity for the further training of another 1.2 billion parameter LLM. Our results demonstrate that employing such high-quality data can significantly boost model performance, showcasing a powerful approach to enhance the quality of the pretraining corpus.

Beyond Squared Error: Exploring Loss Design for Enhanced Training of Generative Flow Networks

Generative Flow Networks (GFlowNets) are a novel class of generative models designed to sample from unnormalized distributions and have found applications in various important tasks, attracting great research interest in their training algorithms. In general, GFlowNets are trained by fitting the forward flow to the backward flow on sampled training objects. Prior work focused on the choice of training objects, parameterizations, sampling and resampling strategies, and backward policies, aiming to enhance credit assignment, exploration, or exploitation of the training process. However, the choice of regression loss, which can highly influence the exploration and exploitation behavior of the under-training policy, has been overlooked. Due to the lack of theoretical understanding for choosing an appropriate regression loss, most existing algorithms train the flow network by minimizing the squared error of the forward and backward flows in log-space, i.e., using the quadratic regression loss. In this work, we rigorously prove that distinct regression losses correspond to specific divergence measures, enabling us to design and analyze regression losses according to the desired properties of the corresponding divergence measures. Specifically, we examine two key properties: zero-forcing and zero-avoiding, where the former promotes exploitation and higher rewards, and the latter encourages exploration and enhances diversity. Based on our theoretical framework, we propose three novel regression losses, namely, Shifted-Cosh, Linex(1/2), and Linex(1). We evaluate them across three benchmarks: hyper-grid, bit-sequence generation, and molecule generation. Our proposed losses are compatible with most existing training algorithms, and significantly improve the performances of the algorithms concerning convergence speed, sample diversity, and robustness.

General Preference Modeling with Preference Representations for Aligning Language Models

Modeling human preferences is crucial for aligning foundation models with human values. Traditional reward modeling methods, such as the Bradley-Terry (BT) reward model, fall short in expressiveness, particularly in addressing intransitive preferences. Although supervised pair preference models (PairPM) can express general preferences, their implementation is highly ad-hoc and cannot guarantee a consistent preference probability of compared pairs. Additionally, they impose high computational costs due to their quadratic query complexity when comparing multiple responses. In this paper, we introduce preference representation learning, an approach that embeds responses into a latent space to capture intricate preference structures efficiently, achieving linear query complexity. Additionally, we propose preference score-based General Preference Optimization (GPO), which generalizes reward-based reinforcement learning from human feedback. Experimental results show that our General Preference representation model (GPM) outperforms the BT reward model on the RewardBench benchmark with a margin of up to 5.6% and effectively models cyclic preferences where any BT reward model behaves like a random guess. Furthermore, evaluations on downstream tasks such as AlpacaEval2.0 and MT-Bench, following the language model post-training with GPO and our general preference model, reveal substantial performance improvements with margins up to 9.3%. These findings indicate that our method may enhance the alignment of foundation models with nuanced human values. The code is available at https://github.com/general-preference/general-preference-model.

On the Diagram of Thought

We introduce Diagram of Thought (DoT), a framework that models iterative reasoning in large language models (LLMs) as the construction of a directed acyclic graph (DAG) within a single model. Unlike traditional approaches that represent reasoning as linear chains or trees, DoT organizes propositions, critiques, refinements, and verifications into a cohesive DAG structure, allowing the model to explore complex reasoning pathways while maintaining logical consistency. Each node in the diagram corresponds to a proposition that has been proposed, critiqued, refined, or verified, enabling the LLM to iteratively improve its reasoning through natural language feedback. By leveraging auto-regressive next-token prediction with role-specific tokens, DoT facilitates seamless transitions between proposing ideas and critically evaluating them, providing richer feedback than binary signals. Furthermore, we formalize the DoT framework using Topos Theory, providing a mathematical foundation that ensures logical consistency and soundness in the reasoning process. This approach enhances both the training and inference processes within a single LLM, eliminating the need for multiple models or external control mechanisms. DoT offers a conceptual framework for designing next-generation reasoning-specialized models, emphasizing training efficiency, robust reasoning capabilities, and theoretical grounding. The code is available at https://github.com/diagram-of-thought/diagram-of-thought.

One-Shot Diffusion Mimicker for Handwritten Text Generation

Existing handwritten text generation methods often require more than ten handwriting samples as style references. However, in practical applications, users tend to prefer a handwriting generation model that operates with just a single reference sample for its convenience and efficiency. This approach, known as "one-shot generation", significantly simplifies the process but poses a significant challenge due to the difficulty of accurately capturing a writer's style from a single sample, especially when extracting fine details from the characters' edges amidst sparse foreground and undesired background noise. To address this problem, we propose a One-shot Diffusion Mimicker (One-DM) to generate handwritten text that can mimic any calligraphic style with only one reference sample. Inspired by the fact that high-frequency information of the individual sample often contains distinct style patterns (e.g., character slant and letter joining), we develop a novel style-enhanced module to improve the style extraction by incorporating high-frequency components from a single sample. We then fuse the style features with the text content as a merged condition for guiding the diffusion model to produce high-quality handwritten text images. Extensive experiments demonstrate that our method can successfully generate handwriting scripts with just one sample reference in multiple languages, even outperforming previous methods using over ten samples. Our source code is available at https://github.com/dailenson/One-DM.

MONAS: Efficient Zero-Shot Neural Architecture Search for MCUs

Neural Architecture Search (NAS) has proven effective in discovering new Convolutional Neural Network (CNN) architectures, particularly for scenarios with well-defined accuracy optimization goals. However, previous approaches often involve time-consuming training on super networks or intensive architecture sampling and evaluations. Although various zero-cost proxies correlated with CNN model accuracy have been proposed for efficient architecture search without training, their lack of hardware consideration makes it challenging to target highly resource-constrained edge devices such as microcontroller units (MCUs). To address these challenges, we introduce MONAS, a novel hardware-aware zero-shot NAS framework specifically designed for MCUs in edge computing. MONAS incorporates hardware optimality considerations into the search process through our proposed MCU hardware latency estimation model. By combining this with specialized performance indicators (proxies), MONAS identifies optimal neural architectures without incurring heavy training and evaluation costs, optimizing for both hardware latency and accuracy under resource constraints. MONAS achieves up to a 1104x improvement in search efficiency over previous work targeting MCUs and can discover CNN models with over 3.23x faster inference on MCUs while maintaining similar accuracy compared to more general NAS approaches.