The locally competitive algorithm (LCA) can solve sparse coding problems across a wide range of use cases. Recently, convolution-based LCA approaches have been shown to be highly effective for enhancing robustness for image recognition tasks in vision pipelines. To additionally maximize representational sparsity, LCA with hard-thresholding can be applied. While this combination often yields very good solutions satisfying an $\ell_0$ sparsity criterion, it comes with significant drawbacks for practical application: (i) LCA is very inefficient, typically requiring hundreds of optimization cycles for convergence; (ii) the use of hard-thresholding results in a non-convex loss function, which might lead to suboptimal minima. To address these issues, we propose the Locally Competitive Algorithm with State Warm-up via Predictive Priming (WARP-LCA), which leverages a predictor network to provide a suitable initial guess of the LCA state based on the current input. Our approach significantly improves both convergence speed and the quality of solutions, while maintaining and even enhancing the overall strengths of LCA. We demonstrate that WARP-LCA converges faster by orders of magnitude and reaches better minima compared to conventional LCA. Moreover, the learned representations are more sparse and exhibit superior properties in terms of reconstruction and denoising quality as well as robustness when applied in deep recognition pipelines. Furthermore, we apply WARP-LCA to image denoising tasks, showcasing its robustness and practical effectiveness. Our findings confirm that the naive use of LCA with hard-thresholding results in suboptimal minima, whereas initializing LCA with a predictive guess results in better outcomes. This research advances the field of biologically inspired deep learning by providing a novel approach to convolutional sparse coding.
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We introduce MUSE-VL, a Unified Vision-Language Model through Semantic discrete Encoding for multimodal understanding and generation. Recently, the research community has begun exploring unified models for visual generation and understanding. However, existing vision tokenizers (e.g., VQGAN) only consider low-level information, which makes it difficult to align with texture semantic features. This results in high training complexity and necessitates a large amount of training data to achieve optimal performance. Additionally, their performance is still far from dedicated understanding models. This paper proposes Semantic Discrete Encoding (SDE), which effectively aligns the information of visual tokens and language tokens by adding semantic constraints to the visual tokenizer. This greatly reduces training difficulty and improves the performance of the unified model. The proposed model significantly surpasses the previous state-of-the-art in various vision-language benchmarks and achieves better performance than dedicated understanding models.
Graph-based and sequential methods are two popular recommendation paradigms, each excelling in its domain but lacking the ability to leverage signals from the other. To address this, we propose a novel method that integrates both approaches for enhanced performance. Our framework uses Graph Neural Network (GNN)-based and sequential recommenders as separate submodules while sharing a unified embedding space optimized jointly. To enable positive knowledge transfer, we design a loss function that enforces alignment and uniformity both within and across submodules. Experiments on three real-world datasets demonstrate that the proposed method significantly outperforms using either approach alone and achieves state-of-the-art results. Our implementations are publicly available at //github.com/YuweiCao-UIC/GSAU.git.
LLM inference for popular enterprise use cases, such as summarization, RAG, and code-generation, typically observes orders of magnitude longer prompt lengths than generation lengths. This characteristic leads to high cost of prefill and increased response latency. In this paper, we present SwiftKV, a novel model transformation and distillation procedure specifically designed to reduce the time and cost of processing prompt tokens while preserving high quality of generated tokens. SwiftKV combines three key mechanisms: i) SingleInputKV, which prefills later layers' KV cache using a much earlier layer's output, allowing prompt tokens to skip much of the model computation, ii) AcrossKV, which merges the KV caches of neighboring layers to reduce the memory footprint and support larger batch size for higher throughput, and iii) a knowledge-preserving distillation procedure that can adapt existing LLMs for SwiftKV with minimal accuracy impact and low compute and data requirement. For Llama-3.1-8B and 70B, SwiftKV reduces the compute requirement of prefill by 50% and the memory requirement of the KV cache by 62.5% while incurring minimum quality degradation across a wide range of tasks. In the end-to-end inference serving using an optimized vLLM implementation, SwiftKV realizes up to 2x higher aggregate throughput and 60% lower time per output token. It can achieve a staggering 560 TFlops/GPU of normalized inference throughput, which translates to 16K tokens/s for Llama-3.1-70B in 16-bit precision on 4x H100 GPUs. Our training, inference, and model implementations are open-sourced and can be found through //huggingface.co/collections/Snowflake/swiftkv-models-674f7d7474eb789e185d31cb.
LLMs exhibit advanced reasoning capabilities, offering the potential to transform natural language questions into mathematical models. However, existing open-source datasets in operations research domain lack detailed annotations of the modeling process, such as variable definitions, focusing solely on objective values, which hinders reinforcement learning applications. To address this, we release the StructuredOR dataset, annotated with comprehensive labels that capture the complete mathematical modeling process. We further propose BPP-Search, a algorithm that integrates reinforcement learning into a tree-of-thought structure using Beam search, a Process reward model, and a pairwise Preference algorithm. This approach enables efficient exploration of tree structures, avoiding exhaustive search while improving accuracy. Extensive experiments on StructuredOR, NL4OPT, and MAMO-ComplexLP datasets show that BPP-Search significantly outperforms state-of-the-art methods. In tree-based reasoning, BPP-Search excels in accuracy and efficiency, enabling faster retrieval of correct solutions.
We introduce the Rigged Dynamic Mode Decomposition (Rigged DMD) algorithm, which computes generalized eigenfunction decompositions of Koopman operators. By considering the evolution of observables, Koopman operators transform complex nonlinear dynamics into a linear framework suitable for spectral analysis. While powerful, traditional Dynamic Mode Decomposition (DMD) techniques often struggle with continuous spectra. Rigged DMD addresses these challenges with a data-driven methodology that approximates the Koopman operator's resolvent and its generalized eigenfunctions using snapshot data from the system's evolution. At its core, Rigged DMD builds wave-packet approximations for generalized Koopman eigenfunctions and modes by integrating Measure-Preserving Extended Dynamic Mode Decomposition with high-order kernels for smoothing. This provides a robust decomposition encompassing both discrete and continuous spectral elements. We derive explicit high-order convergence theorems for generalized eigenfunctions and spectral measures. Additionally, we propose a novel framework for constructing rigged Hilbert spaces using time-delay embedding, significantly extending the algorithm's applicability (Rigged DMD can be used with any rigging). We provide examples, including systems with a Lebesgue spectrum, integrable Hamiltonian systems, the Lorenz system, and a high-Reynolds number lid-driven flow in a two-dimensional square cavity, demonstrating Rigged DMD's convergence, efficiency, and versatility. This work paves the way for future research and applications of decompositions with continuous spectra.
Large language models (LLMs) have demonstrated significant capabilities in mathematical reasoning, particularly with text-based mathematical problems. However, current multi-modal large language models (MLLMs), especially those specialized in mathematics, tend to focus predominantly on solving geometric problems but ignore the diversity of visual information available in other areas of mathematics. Moreover, the geometric information for these specialized mathematical MLLMs is derived from several public datasets, which are typically limited in diversity and complexity. To address these limitations, we aim to construct a fine-tuning dataset named MathVL, and develop a series of specialized mathematical MLLMs termed MathGLM-Vision by conducting Supervised Fine-Tuning (SFT) on MathVL with various parameter-scale backbones. To extensively evaluate the effectiveness of MathGLM-Vision, we conduct experiments on several public benchmarks and our curated MathVL-test consisting of 2,000 problems. Experimental results demonstrate that MathGLM-Vision achieves significant improvements compared with some existing models, including backbone models and open-source mathematical MLLMs. These findings indicate the importance of diversity dataset in enhancing the mathematical reasoning abilities of MLLMs.
Large language models (LLMs) are increasingly being used in materials science. However, little attention has been given to benchmarking and standardized evaluation for LLM-based materials property prediction, which hinders progress. We present LLM4Mat-Bench, the largest benchmark to date for evaluating the performance of LLMs in predicting the properties of crystalline materials. LLM4Mat-Bench contains about 1.9M crystal structures in total, collected from 10 publicly available materials data sources, and 45 distinct properties. LLM4Mat-Bench features different input modalities: crystal composition, CIF, and crystal text description, with 4.7M, 615.5M, and 3.1B tokens in total for each modality, respectively. We use LLM4Mat-Bench to fine-tune models with different sizes, including LLM-Prop and MatBERT, and provide zero-shot and few-shot prompts to evaluate the property prediction capabilities of LLM-chat-like models, including Llama, Gemma, and Mistral. The results highlight the challenges of general-purpose LLMs in materials science and the need for task-specific predictive models and task-specific instruction-tuned LLMs in materials property prediction.
The development of unbiased large language models is widely recognized as crucial, yet existing benchmarks fall short in detecting biases due to limited scope, contamination, and lack of a fairness baseline. SAGED(-Bias) is the first holistic benchmarking pipeline to address these problems. The pipeline encompasses five core stages: scraping materials, assembling benchmarks, generating responses, extracting numeric features, and diagnosing with disparity metrics. SAGED includes metrics for max disparity, such as impact ratio, and bias concentration, such as Max Z-scores. Noticing that assessment tool bias and contextual bias in prompts can distort evaluation, SAGED implements counterfactual branching and baseline calibration for mitigation. For demonstration, we use SAGED on G20 Countries with popular 8b-level models including Gemma2, Llama3.1, Mistral, and Qwen2. With sentiment analysis, we find that while Mistral and Qwen2 show lower max disparity and higher bias concentration than Gemma2 and Llama3.1, all models are notably biased against countries like Russia and (except for Qwen2) China. With further experiments to have models role-playing U.S. (vice-/former-) presidents, we see bias amplifies and shifts in heterogeneous directions. Moreover, we see Qwen2 and Mistral not engage in role-playing, while Llama3.1 and Gemma2 role-play Trump notably more intensively than Biden and Harris, indicating role-playing performance bias in these models.
Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.
Pre-trained language representation models, such as BERT, capture a general language representation from large-scale corpora, but lack domain-specific knowledge. When reading a domain text, experts make inferences with relevant knowledge. For machines to achieve this capability, we propose a knowledge-enabled language representation model (K-BERT) with knowledge graphs (KGs), in which triples are injected into the sentences as domain knowledge. However, too much knowledge incorporation may divert the sentence from its correct meaning, which is called knowledge noise (KN) issue. To overcome KN, K-BERT introduces soft-position and visible matrix to limit the impact of knowledge. K-BERT can easily inject domain knowledge into the models by equipped with a KG without pre-training by-self because it is capable of loading model parameters from the pre-trained BERT. Our investigation reveals promising results in twelve NLP tasks. Especially in domain-specific tasks (including finance, law, and medicine), K-BERT significantly outperforms BERT, which demonstrates that K-BERT is an excellent choice for solving the knowledge-driven problems that require experts.
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