Daily Papers

Quantizing the activation, weight, and gradient to 4-bit is promising to accelerate neural network training. However, existing 4-bit training methods require custom numerical formats which are not supported by contemporary hardware. In this work, we propose a training method for transformers with all matrix multiplications implemented with the INT4 arithmetic. Training with an ultra-low INT4 precision is challenging. To achieve this, we carefully analyze the specific structures of activation and gradients in transformers to propose dedicated quantizers for them. For forward propagation, we identify the challenge of outliers and propose a Hadamard quantizer to suppress the outliers. For backpropagation, we leverage the structural sparsity of gradients by proposing bit splitting and leverage score sampling techniques to quantize gradients accurately. Our algorithm achieves competitive accuracy on a wide range of tasks including natural language understanding, machine translation, and image classification. Unlike previous 4-bit training methods, our algorithm can be implemented on the current generation of GPUs. Our prototypical linear operator implementation is up to 2.2 times faster than the FP16 counterparts and speeds up the training by up to 35.1%.

Neural network training is a memory- and compute-intensive task. Quantization, which enables low-bitwidth formats in training, can significantly mitigate the workload. To reduce quantization error, recent methods have developed new data formats and additional pre-processing operations on quantizers. However, it remains quite challenging to achieve high accuracy and efficiency simultaneously. In this paper, we explore sub-8-bit integer training from its essence of gradient descent optimization. Our integer training framework includes two components: ShiftQuant to realize accurate gradient estimation, and L1 normalization to smoothen the loss landscape. ShiftQuant attains performance that approaches the theoretical upper bound of group quantization. Furthermore, it liberates group quantization from inefficient memory rearrangement. The L1 normalization facilitates the implementation of fully quantized normalization layers with impressive convergence accuracy. Our method frees sub-8-bit integer training from pre-processing and supports general devices. This framework achieves negligible accuracy loss across various neural networks and tasks (0.92% on 4-bit ResNets, 0.61% on 6-bit Transformers). The prototypical implementation of ShiftQuant achieves more than 1.85times/15.3% performance improvement on CPU/GPU compared to its FP16 counterparts, and 33.9% resource consumption reduction on FPGA than the FP16 counterparts. The proposed fully-quantized L1 normalization layers achieve more than 35.54% improvement in throughout on CPU compared to traditional L2 normalization layers. Moreover, theoretical analysis verifies the advancement of our method.

Despite the remarkable strides of Large Language Models (LLMs) in various fields, the wide applications of LLMs on edge devices are limited due to their massive parameters and computations. To address this, quantization is commonly adopted to generate lightweight LLMs with efficient computations and fast inference. However, Post-Training Quantization (PTQ) methods dramatically degrade in quality when quantizing weights, activations, and KV cache together to below 8 bits. Besides, many Quantization-Aware Training (QAT) works quantize model weights, leaving the activations untouched, which do not fully exploit the potential of quantization for inference acceleration on the edge. In this paper, we propose EdgeQAT, the Entropy and Distribution Guided QAT for the optimization of lightweight LLMs to achieve inference acceleration on Edge devices. We first identify that the performance drop of quantization primarily stems from the information distortion in quantized attention maps, demonstrated by the different distributions in quantized query and key of the self-attention mechanism. Then, the entropy and distribution guided QAT is proposed to mitigate the information distortion. Moreover, we design a token importance-aware adaptive method to dynamically quantize the tokens with different bit widths for further optimization and acceleration. Our extensive experiments verify the substantial improvements with our framework across various datasets. Furthermore, we achieve an on-device speedup of up to 2.37x compared with its FP16 counterparts across multiple edge devices, signaling a groundbreaking advancement.

Large Language Models (LLMs) stand out for their impressive performance in intricate language modeling tasks. However, their demanding computational and memory needs pose obstacles for broad use on edge devices. Quantization is then introduced to boost LLMs' on-device efficiency. Recent works show that 8-bit or lower weight quantization is feasible with minimal impact on end-to-end task performance, while the activation is still not quantized. On the other hand, mainstream commodity edge devices still struggle to execute these sub-8-bit quantized networks effectively. In this paper, we propose Agile-Quant, an activation-guided quantization framework for popular Large Language Models (LLMs), and implement an end-to-end accelerator on multiple edge devices for faster inference. Considering the hardware profiling and activation analysis, we first introduce a basic activation quantization strategy to balance the trade-off of task performance and real inference speed. Then we leverage the activation-aware token pruning technique to reduce the outliers and the adverse impact on attentivity. Ultimately, we utilize the SIMD-based 4-bit multiplier and our efficient TRIP matrix multiplication to implement the accelerator for LLMs on the edge. We apply our framework on different scales of LLMs including LLaMA, OPT, and BLOOM with 4-bit or 8-bit for the activation and 4-bit for the weight quantization. Experiments show that Agile-Quant achieves simultaneous quantization of model weights and activations while maintaining task performance comparable to existing weight-only quantization methods. Moreover, in the 8- and 4-bit scenario, Agile-Quant achieves an on-device speedup of up to 2.55x compared to its FP16 counterparts across multiple edge devices, marking a pioneering advancement in this domain.

Video large language models (VideoLLMs) have demonstrated the capability to process longer video inputs and enable complex reasoning and analysis. However, due to the thousands of visual tokens from the video frames, key-value (KV) cache can significantly increase memory requirements, becoming a bottleneck for inference speed and memory usage. KV cache quantization is a widely used approach to address this problem. In this paper, we find that 2-bit KV quantization of VideoLLMs can hardly hurt the model performance, while the limit of KV cache quantization in even lower bits has not been investigated. To bridge this gap, we introduce VidKV, a plug-and-play KV cache quantization method to compress the KV cache to lower than 2 bits. Specifically, (1) for key, we propose a mixed-precision quantization strategy in the channel dimension, where we perform 2-bit quantization for anomalous channels and 1-bit quantization combined with FFT for normal channels; (2) for value, we implement 1.58-bit quantization while selectively filtering semantically salient visual tokens for targeted preservation, for a better trade-off between precision and model performance. Importantly, our findings suggest that the value cache of VideoLLMs should be quantized in a per-channel fashion instead of the per-token fashion proposed by prior KV cache quantization works for LLMs. Empirically, extensive results with LLaVA-OV-7B and Qwen2.5-VL-7B on six benchmarks show that VidKV effectively compresses the KV cache to 1.5-bit and 1.58-bit precision with almost no performance drop compared to the FP16 counterparts.

This work presents a Fully BInarized Large Language Model (FBI-LLM), demonstrating for the first time how to train a large-scale binary language model from scratch (not the partial binary or ternary LLM like BitNet b1.58) to match the performance of its full-precision counterparts (e.g., FP16 or BF16) in transformer-based LLMs. It achieves this by employing an autoregressive distillation (AD) loss with maintaining equivalent model dimensions (130M, 1.3B, 7B) and training data volume as regular LLM pretraining, while delivering competitive results in terms of perplexity and task-specific effectiveness. Intriguingly, by analyzing the training trajectory, we find that the pretrained weight is not necessary for training binarized LLMs from scratch. This research encourages a new computational framework and may facilitate the future design of specialized hardware tailored for fully 1-bit LLMs. We make all models, code, and training dataset fully accessible and transparent to support further research (Code: https://github.com/LiqunMa/FBI-LLM. Model: https://huggingface.co/LiqunMa/).

This study examines 4-bit quantization methods like GPTQ in large language models (LLMs), highlighting GPTQ's overfitting and limited enhancement in Zero-Shot tasks. While prior works merely focusing on zero-shot measurement, we extend task scope to more generative categories such as code generation and abstractive summarization, in which we found that INT4 quantization can significantly underperform. However, simply shifting to higher precision formats like FP6 has been particularly challenging, thus overlooked, due to poor performance caused by the lack of sophisticated integration and system acceleration strategies on current AI hardware. Our results show that FP6, even with a coarse-grain quantization scheme, performs robustly across various algorithms and tasks, demonstrating its superiority in accuracy and versatility. Notably, with the FP6 quantization, \codestar-15B model performs comparably to its FP16 counterpart in code generation, and for smaller models like the 406M it closely matches their baselines in summarization. Neither can be achieved by INT4. To better accommodate various AI hardware and achieve the best system performance, we propose a novel 4+2 design for FP6 to achieve similar latency to the state-of-the-art INT4 fine-grain quantization. With our design, FP6 can become a promising solution to the current 4-bit quantization methods used in LLMs.

We present unit scaling, a paradigm for designing deep learning models that simplifies the use of low-precision number formats. Training in FP16 or the recently proposed FP8 formats offers substantial efficiency gains, but can lack sufficient range for out-of-the-box training. Unit scaling addresses this by introducing a principled approach to model numerics: seeking unit variance of all weights, activations and gradients at initialisation. Unlike alternative methods, this approach neither requires multiple training runs to find a suitable scale nor has significant computational overhead. We demonstrate the efficacy of unit scaling across a range of models and optimisers. We further show that existing models can be adapted to be unit-scaled, training BERT-Large in FP16 and then FP8 with no degradation in accuracy.

Reinforcement learning (RL) fine-tuning of large language models (LLMs) often suffers from instability due to the numerical mismatch between the training and inference policies. While prior work has attempted to mitigate this issue through algorithmic corrections or engineering alignments, we show that its root cause lies in the floating point precision itself. The widely adopted BF16, despite its large dynamic range, introduces large rounding errors that breaks the consistency between training and inference. In this work, we demonstrate that simply reverting to FP16 effectively eliminates this mismatch. The change is simple, fully supported by modern frameworks with only a few lines of code change, and requires no modification to the model architecture or learning algorithm. Our results suggest that using FP16 uniformly yields more stable optimization, faster convergence, and stronger performance across diverse tasks, algorithms and frameworks. We hope these findings motivate a broader reconsideration of precision trade-offs in RL fine-tuning.

The massive computational costs associated with large language model (LLM) pretraining have spurred great interest in reduced-precision floating-point representations to accelerate the process. As a result, the BrainFloat16 (BF16) precision has become the de facto standard for LLM training, with hardware support included in recent accelerators. This trend has gone even further in the latest processors, where FP8 has recently been introduced. However, prior experience with FP16, which was found to be less stable than BF16, raises concerns as to whether FP8, with even fewer bits than FP16, can be a cost-effective option for LLM training. We argue that reduced-precision training schemes must have similar training stability and hyperparameter sensitivities to their higher-precision counterparts in order to be cost-effective. However, we find that currently available methods for FP8 training are not robust enough to allow their use as economical replacements. This prompts us to investigate the stability of reduced-precision LLM training in terms of robustness across random seeds and learning rates. To this end, we propose new evaluation techniques and a new metric for quantifying loss landscape sharpness in autoregressive language models. By simulating incremental bit reductions in floating-point representations, we analyze the relationship between representational power and training stability with the intent of aiding future research into the field.

State-of-the-art generic low-precision training algorithms use a mix of 16-bit and 32-bit precision, creating the folklore that 16-bit hardware compute units alone are not enough to maximize model accuracy. As a result, deep learning accelerators are forced to support both 16-bit and 32-bit floating-point units (FPUs), which is more costly than only using 16-bit FPUs for hardware design. We ask: can we train deep learning models only with 16-bit floating-point units, while still matching the model accuracy attained by 32-bit training? Towards this end, we study 16-bit-FPU training on the widely adopted BFloat16 unit. While these units conventionally use nearest rounding to cast output to 16-bit precision, we show that nearest rounding for model weight updates often cancels small updates, which degrades the convergence and model accuracy. Motivated by this, we study two simple techniques well-established in numerical analysis, stochastic rounding and Kahan summation, to remedy the model accuracy degradation in 16-bit-FPU training. We demonstrate that these two techniques can enable up to 7% absolute validation accuracy gain in 16-bit-FPU training. This leads to 0.1% lower to 0.2% higher validation accuracy compared to 32-bit training across seven deep learning applications.

The recent hardware-accelerated microscaling 4-bit floating-point formats such as MXFP4 and NVFP4, supported on NVIDIA and AMD GPUs, promise to revolutionize large language model (LLM) inference. Yet, their practical benefits remain unproven. We present the first comprehensive study of MXFP4 and NVFP4 for post-training quantization, revealing gaps between their promise and real-world performance. Our analysis shows that state-of-the-art methods struggle with FP4, due to two key issues: (1) NVFP4's small group size provably neutralizes traditional outlier mitigation techniques; (2) MXFP4's power-of-two scale quantization severely degrades accuracy due to high induced error. To bridge this gap, we introduce Micro-Rotated-GPTQ (MR-GPTQ), a variant of the classic GPTQ quantization algorithm that tailors the quantization process to FP4's unique properties, by using block-wise Hadamard transforms and format-specific optimizations. We support our proposal with a set of high-performance GPU kernels that enable the MR-GPTQ format with negligible overhead, by rotation fusion into the weights, and fast online computation of the activations. This leads to speedups vs. FP16 of up to 3.6x layer-wise, and 2.2x end-to-end on NVIDIA B200, and of 6x layer-wise and 4x end-to-end on RTX5090. Our extensive empirical evaluation demonstrates that MR-GPTQ matches or outperforms state-of-the-art accuracy, significantly boosting MXFP4, to the point where it nears that of NVFP4. We conclude that, while FP4 is not an automatic upgrade over INT4, format-specialized methods like MR-GPTQ can unlock a new frontier of accuracy-performance trade-offs.

Large Language Models (LLMs) have attracted significant attention due to their human-like language understanding and generation capabilities, as well as their applicability across various domains. These models, characterized by their massive scale and extensive training data, continue to push the boundaries of what is possible in natural language processing. The Llama 3 series, for instance, exemplifies this trend with its flagship model boasting 405 billion parameters trained on 15.6 trillion tokens. The immense computational demands associated with training such models have spurred ongoing research into optimizing the efficiency of the training process, particularly through the use of lower-precision formats. NVIDIA's H100 GPU, which introduces support for FP8 in addition to the more conventional FP16 and BF16 formats, has emerged as a focal point in this optimization effort. Preliminary studies suggest that FP8 could offer substantial reductions in training time without sacrificing model performance when compared to BF16, making it a promising candidate for large-scale model training. However, the broader implications of adopting FP8, particularly in terms of training stability and downstream task performance, have yet to be fully understood. In this study, we delve into the practical trade-offs involved in adopting FP8 over BF16 for training LLMs.

The immense computational cost of training Large Language Models (LLMs) presents a major barrier to innovation. While FP8 training offers a promising solution with significant theoretical efficiency gains, its widespread adoption has been hindered by the lack of a comprehensive, open-source training recipe. To bridge this gap, we introduce an end-to-end FP8 training recipe that seamlessly integrates continual pre-training and supervised fine-tuning. Our methodology employs a fine-grained, hybrid-granularity quantization strategy to maintain numerical fidelity while maximizing computational efficiency. Through extensive experiments, including the continue pre-training of models on a 160B-token corpus, we demonstrate that our recipe is not only remarkably stable but also essentially lossless, achieving performance on par with the BF16 baseline across a suite of reasoning benchmarks. Crucially, this is achieved with substantial efficiency improvements, including up to a 22% reduction in training time, a 14% decrease in peak memory usage, and a 19% increase in throughput. Our results establish FP8 as a practical and robust alternative to BF16, and we will release the accompanying code to further democratize large-scale model training.

This paper presents the first comprehensive empirical study demonstrating the efficacy of the Brain Floating Point (BFLOAT16) half-precision format for Deep Learning training across image classification, speech recognition, language modeling, generative networks and industrial recommendation systems. BFLOAT16 is attractive for Deep Learning training for two reasons: the range of values it can represent is the same as that of IEEE 754 floating-point format (FP32) and conversion to/from FP32 is simple. Maintaining the same range as FP32 is important to ensure that no hyper-parameter tuning is required for convergence; e.g., IEEE 754 compliant half-precision floating point (FP16) requires hyper-parameter tuning. In this paper, we discuss the flow of tensors and various key operations in mixed precision training, and delve into details of operations, such as the rounding modes for converting FP32 tensors to BFLOAT16. We have implemented a method to emulate BFLOAT16 operations in Tensorflow, Caffe2, IntelCaffe, and Neon for our experiments. Our results show that deep learning training using BFLOAT16 tensors achieves the same state-of-the-art (SOTA) results across domains as FP32 tensors in the same number of iterations and with no changes to hyper-parameters.

Fine-tuning large language models (LLMs) with parameter-efficient techniques such as LoRA and QLoRA has enabled adaptation of foundation models on modest hardware. Yet the efficiency of such training on consumer-grade GPUs, especially under strict 8 GB VRAM limits, remains underexplored. We present a controlled profiling study of LoRA/QLoRA fine-tuning using the Qwen2.5-1.5B-Instruct model on a single NVIDIA RTX 4060. Across three representative configurations, we systematically vary batch size, sequence length, optimizer choice (AdamW vs. PagedAdamW), and precision (fp16 vs. bf16). We report throughput (tokens/s), time per 10k tokens, and VRAM footprint, alongside energy estimates derived from GPU board power limits. Our results show that paged optimizers improve throughput by up to 25% (628 tok/s vs. 500 tok/s baseline), while bf16 degrades efficiency relative to fp16. Despite 8 GB constraints, sequence lengths up to 2048 tokens were feasible using parameter-efficient strategies. To our knowledge, this is the first systematic case study of LLM fine- tuning efficiency on consumer GPUs, providing reproducible benchmarks and practical guidelines for resource-constrained researchers and practitioners.

The introduction of 8-bit floating-point (FP8) computation units in modern AI accelerators has generated significant interest in FP8-based large language model (LLM) inference. Unlike 16-bit floating-point formats, FP8 in deep learning requires a shared scaling factor. Additionally, while E4M3 and E5M2 are well-defined at the individual value level, their scaling and accumulation methods remain unspecified and vary across hardware and software implementations. As a result, FP8 behaves more like a quantization format than a standard numeric representation. In this work, we provide the first comprehensive analysis of FP8 computation and acceleration on two AI accelerators: the NVIDIA H100 and Intel Gaudi 2. Our findings highlight that the Gaudi 2, by leveraging FP8, achieves higher throughput-to-power efficiency during LLM inference, offering valuable insights into the practical implications of FP8 adoption for datacenter-scale LLM serving.

The growing computational demands of training large language models (LLMs) necessitate more efficient methods. Quantized training presents a promising solution by enabling low-bit arithmetic operations to reduce these costs. While FP8 precision has demonstrated feasibility, leveraging FP4 remains a challenge due to significant quantization errors and limited representational capacity. This work introduces the first FP4 training framework for LLMs, addressing these challenges with two key innovations: a differentiable quantization estimator for precise weight updates and an outlier clamping and compensation strategy to prevent activation collapse. To ensure stability, the framework integrates a mixed-precision training scheme and vector-wise quantization. Experimental results demonstrate that our FP4 framework achieves accuracy comparable to BF16 and FP8, with minimal degradation, scaling effectively to 13B-parameter LLMs trained on up to 100B tokens. With the emergence of next-generation hardware supporting FP4, our framework sets a foundation for efficient ultra-low precision training.

Low precision (LP) datatypes such as MXFP4 can accelerate matrix multiplications (GEMMs) and reduce training costs. However, directly using MXFP4 instead of BF16 during training significantly degrades model quality. In this work, we present the first near-lossless training recipe that uses MXFP4 GEMMs, which are 2times faster than FP8 on supported hardware. Our key insight is to compute unbiased gradient estimates with stochastic rounding (SR), resulting in more accurate model updates. However, directly applying SR to MXFP4 can result in high variance from block-level outliers, harming convergence. To overcome this, we use the random Hadamard tranform to theoretically bound the variance of SR. We train GPT models up to 6.7B parameters and find that our method induces minimal degradation over mixed-precision BF16 training. Our recipe computes >1/2 the training FLOPs in MXFP4, enabling an estimated speedup of >1.3times over FP8 and >1.7times over BF16 during backpropagation.

We demonstrate, for the first time, fully quantized training (FQT) of large language models (LLMs) using predominantly 4-bit floating-point (FP4) precision for weights, activations, and gradients on datasets up to 200 billion tokens. We extensively investigate key design choices for FP4, including block sizes, scaling formats, and rounding methods. Our analysis shows that the NVFP4 format, where each block of 16 FP4 values (E2M1) shares a scale represented in E4M3, provides optimal results. We use stochastic rounding for backward and update passes and round-to-nearest for the forward pass to enhance stability. Additionally, we identify a theoretical and empirical threshold for effective quantized training: when the gradient norm falls below approximately 3 times the quantization noise, quantized training becomes less effective. Leveraging these insights, we successfully train a 7-billion-parameter model on 256 Intel Gaudi2 accelerators. The resulting FP4-trained model achieves downstream task performance comparable to a standard BF16 baseline, confirming that FP4 training is a practical and highly efficient approach for large-scale LLM training. A reference implementation is supplied in https://github.com/Anonymous1252022/fp4-all-the-way .

In the complex domain of large language models (LLMs), striking a balance between computational efficiency and maintaining model quality is a formidable challenge. Navigating the inherent limitations of uniform quantization, particularly when dealing with outliers, and motivated by the launch of NVIDIA's H100 hardware, this study delves into the viability of floating-point (FP) quantization, particularly focusing on FP8 and FP4, as a potential solution. Our comprehensive investigation reveals that for LLMs, FP8 activation consistently outshines its integer (INT8) equivalent, with the performance edge becoming more noticeable in models possessing parameters beyond one billion. For weight quantization, our findings indicate that FP4 exhibits comparable, if not superior, performance to INT4, simplifying deployment on FP-supported hardware like H100. To mitigate the overhead from precision alignment caused by the disparity between weights and activations, we propose two scaling constraints for weight quantization that negligibly impact the performance compared to the standard W4A8 model. We additionally enhance our quantization methods by integrating the Low Rank Compensation (LoRC) strategy, yielding improvements especially in smaller models. The results of our investigation emphasize the immense potential of FP quantization for LLMs, paving the way for high-efficiency deployment in resource-limited settings.

Large language models (LLMs) are rapidly increasing in size, with the number of parameters becoming a key factor in the success of many commercial models, such as ChatGPT, Claude, and Bard. Even the recently released publicly accessible models for commercial usage, such as Falcon and Llama2, come equipped with billions of parameters. This significant increase in the number of parameters makes deployment and operation very costly. The remarkable progress in the field of quantization for large neural networks in general and LLMs in particular, has made these models more accessible by enabling them to be deployed on consumer-grade GPUs. Quantized models generally demonstrate comparable performance levels to their unquantized base counterparts. Nonetheless, there exists a notable gap in our comprehensive understanding of how these quantized models respond to hyperparameters, such as temperature, max new tokens, and topk, particularly for next word prediction. The present analysis reveals that nf4 and fp4 are equally proficient 4-bit quantization techniques, characterized by similar attributes such as inference speed, memory consumption, and the quality of generated content. the study identifies nf4 as displaying greater resilience to temperature variations in the case of the llama2 series of models at lower temperature, while fp4 and fp4-dq proves to be a more suitable choice for falcon series of models. It is noteworthy that, in general, 4-bit quantized models of varying sizes exhibit higher sensitivity to temperature in the range of 0.5 to 0.8, unlike their unquantized counterparts. Additionally, int8 quantization is associated with significantly slower inference speeds, whereas unquantized bfloat16 models consistently yield the fastest inference speeds across models of all sizes.

Despite the significant potential of FP8 data formats for large language model (LLM) pre-training, their adoption has been limited due to challenges in maintaining stability at scale. Existing approaches often rely on suboptimal fine-grained FP8 kernels or fall back to higher-precision matrix multiplications (GEMMs) in sensitive components, such as attention projections, compromising potential throughput gains. We introduce a new class of LLM architectures that, for the first time, support FP8 computation for all GEMMs within transformer blocks during both forward and backward passes. This enables unprecedented throughput gains, particularly at scale, while matching the downstream performance of standard BF16 training. Our architecture design reduces large outlier activations, promoting stable long-term FP8 training. In addition, we identify key metrics to monitor low-precision training and predict potential future divergences.

Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational dynamics. However, the capabilities and limitations associated with these models remain poorly understood due to the absence of a unified evaluation framework. To fill this gap, we introduce ProteinBench, a holistic evaluation framework designed to enhance the transparency of protein foundation models. Our approach consists of three key components: (i) A taxonomic classification of tasks that broadly encompass the main challenges in the protein domain, based on the relationships between different protein modalities; (ii) A multi-metric evaluation approach that assesses performance across four key dimensions: quality, novelty, diversity, and robustness; and (iii) In-depth analyses from various user objectives, providing a holistic view of model performance. Our comprehensive evaluation of protein foundation models reveals several key findings that shed light on their current capabilities and limitations. To promote transparency and facilitate further research, we release the evaluation dataset, code, and a public leaderboard publicly for further analysis and a general modular toolkit. We intend for ProteinBench to be a living benchmark for establishing a standardized, in-depth evaluation framework for protein foundation models, driving their development and application while fostering collaboration within the field.

Recent advances in protein structure prediction have achieved near-atomic accuracy for well-folded proteins. However, current benchmarks inadequately assess model performance in biologically challenging contexts, especially those involving intrinsically disordered regions (IDRs), limiting their utility in applications such as drug discovery, disease variant interpretation, and protein interface design. We introduce DisProtBench, a comprehensive benchmark for evaluating protein structure prediction models (PSPMs) under structural disorder and complex biological conditions. DisProtBench spans three key axes: (1) Data complexity, covering disordered regions, G protein-coupled receptor (GPCR) ligand pairs, and multimeric complexes; (2) Task diversity, benchmarking twelve leading PSPMs across structure-based tasks with unified classification, regression, and interface metrics; and (3) Interpretability, via the DisProtBench Portal, which provides precomputed 3D structures and visual error analyses. Our results reveal significant variability in model robustness under disorder, with low-confidence regions linked to functional prediction failures. Notably, global accuracy metrics often fail to predict task performance in disordered settings, emphasizing the need for function-aware evaluation. DisProtBench establishes a reproducible, extensible, and biologically grounded framework for assessing next-generation PSPMs in realistic biomedical scenarios.

Innovations like protein diffusion have enabled significant progress in de novo protein design, which is a vital topic in life science. These methods typically depend on protein structure encoders to model residue backbone frames, where atoms do not exist. Most prior encoders rely on atom-wise features, such as angles and distances between atoms, which are not available in this context. Thus far, only several simple encoders, such as IPA, have been proposed for this scenario, exposing the frame modeling as a bottleneck. In this work, we proffer the Vector Field Network (VFN), which enables network layers to perform learnable vector computations between coordinates of frame-anchored virtual atoms, thus achieving a higher capability for modeling frames. The vector computation operates in a manner similar to a linear layer, with each input channel receiving 3D virtual atom coordinates instead of scalar values. The multiple feature vectors output by the vector computation are then used to update the residue representations and virtual atom coordinates via attention aggregation. Remarkably, VFN also excels in modeling both frames and atoms, as the real atoms can be treated as the virtual atoms for modeling, positioning VFN as a potential universal encoder. In protein diffusion (frame modeling), VFN exhibits an impressive performance advantage over IPA, excelling in terms of both designability (67.04% vs. 53.58%) and diversity (66.54% vs. 51.98%). In inverse folding (frame and atom modeling), VFN outperforms the previous SoTA model, PiFold (54.7% vs. 51.66%), on sequence recovery rate. We also propose a method of equipping VFN with the ESM model, which significantly surpasses the previous ESM-based SoTA (62.67% vs. 55.65%), LM-Design, by a substantial margin.

FP8 is a natural progression for accelerating deep learning training inference beyond the 16-bit formats common in modern processors. In this paper we propose an 8-bit floating point (FP8) binary interchange format consisting of two encodings - E4M3 (4-bit exponent and 3-bit mantissa) and E5M2 (5-bit exponent and 2-bit mantissa). While E5M2 follows IEEE 754 conventions for representatio of special values, E4M3's dynamic range is extended by not representing infinities and having only one mantissa bit-pattern for NaNs. We demonstrate the efficacy of the FP8 format on a variety of image and language tasks, effectively matching the result quality achieved by 16-bit training sessions. Our study covers the main modern neural network architectures - CNNs, RNNs, and Transformer-based models, leaving all the hyperparameters unchanged from the 16-bit baseline training sessions. Our training experiments include large, up to 175B parameter, language models. We also examine FP8 post-training-quantization of language models trained using 16-bit formats that resisted fixed point int8 quantization.

FP8 training has emerged as a promising method for improving training efficiency. Existing frameworks accelerate training by applying FP8 computation to linear layers while leaving optimizer states and activations in higher precision, which fails to fully optimize memory usage. This paper introduces COAT (Compressing Optimizer States and Activations for FP8 Training), a novel FP8 training framework designed to significantly reduce memory footprint when training large models. COAT addresses current limitations through two key innovations: (1) Dynamic Range Expansion, which aligns optimizer state distributions more closely with the FP8 representation range, thereby reducing quantization error, and (2) Mixed-Granularity Activation Quantization, which optimizes activation memory using a combination of per-tensor and per-group quantization strategies. Experiments demonstrate that COAT effectively reduces end-to-end training memory footprint by 1.54x compared to BF16 while achieving nearly lossless performance across various tasks, such as Large Language Model pretraining and fine-tuning and Vision Language Model training. COAT also achieves a 1.43x end-to-end training speedup compared to BF16, performing on par with or surpassing TransformerEngine's speedup. COAT enables efficient full-parameter training of large models on fewer GPUs, and facilitates doubling the batch size in distributed training settings, providing a practical solution for scaling large-scale model training. The code is available at https://github.com/NVlabs/COAT.

The increasing computational demands of foundation models have spurred research into low-precision training, with 4-bit floating-point (FP4) formats emerging as a frontier for maximizing hardware throughput. While numerous techniques have been proposed to stabilize FP4 training, they often present isolated solutions with varying, and not always clear, computational overheads. This paper aims to provide a unified view of the design space of FP4 training. We introduce a comprehensive, quantisation gradient-based framework for microscaling quantization that allows for a theoretical analysis of the computational costs associated with different stabilization methods on both the forward and backward passes. Using a simulator built on this framework, we conduct an extensive empirical study across a wide range of machine learning tasks, including regression, image classification, diffusion models, and language models. By systematically evaluating thousands of combinations of techniques, such as novel gradient approximations, rounding strategies, and scaling methods, we identify which configurations offer the most favourable performance-to-overhead trade-off. We find that the techniques enabling the best trade-off involve carefully combining Hadamard transformations, tensor scaling and stochastic rounding. We further find that using UE5M3 as a scaling factor potentially offers a good compromise between range and precision with manageable computational overhead.

The rapid advancement of large language models (LLMs) has been paralleled by unprecedented increases in computational demands, with training costs for state-of-the-art models doubling every few months. Training models directly in low-precision arithmetic offers a solution, by improving both computational throughput and energy efficiency. Specifically, NVIDIA's recent Blackwell architecture facilitates extremely low-precision operations, specifically FP4 variants, promising substantial efficiency gains. Yet, current algorithms for training LLMs in FP4 precision face significant accuracy degradation and often rely on mixed-precision fallbacks. In this paper, we systematically investigate hardware-supported FP4 training and introduce Quartet, a new approach enabling accurate, end-to-end FP4 training with all the major computations (in e.g. linear layers) being performed in low precision. Through extensive evaluations on Llama-type models, we reveal a new low-precision scaling law that quantifies performance trade-offs across varying bit-widths and allows us to identify a "near-optimal" low-precision training technique in terms of accuracy-vs-computation, called Quartet. We implement Quartet using optimized CUDA kernels tailored for NVIDIA Blackwell GPUs, and show that it can achieve state-of-the-art accuracy for FP4 precision, successfully training billion-scale models. Our method demonstrates that fully FP4-based training is a competitive alternative to standard-precision and FP8 training. Our code is available at https://github.com/IST-DASLab/Quartet.

Enabling On-Device Learning (ODL) for Ultra-Low-Power Micro-Controller Units (MCUs) is a key step for post-deployment adaptation and fine-tuning of Deep Neural Network (DNN) models in future TinyML applications. This paper tackles this challenge by introducing a novel reduced precision optimization technique for ODL primitives on MCU-class devices, leveraging the State-of-Art advancements in RISC-V RV32 architectures with support for vectorized 16-bit floating-point (FP16) Single-Instruction Multiple-Data (SIMD) operations. Our approach for the Forward and Backward steps of the Back-Propagation training algorithm is composed of specialized shape transform operators and Matrix Multiplication (MM) kernels, accelerated with parallelization and loop unrolling. When evaluated on a single training step of a 2D Convolution layer, the SIMD-optimized FP16 primitives result up to 1.72times faster than the FP32 baseline on a RISC-V-based 8+1-core MCU. An average computing efficiency of 3.11 Multiply and Accumulate operations per clock cycle (MAC/clk) and 0.81 MAC/clk is measured for the end-to-end training tasks of a ResNet8 and a DS-CNN for Image Classification and Keyword Spotting, respectively -- requiring 17.1 ms and 6.4 ms on the target platform to compute a training step on a single sample. Overall, our approach results more than two orders of magnitude faster than existing ODL software frameworks for single-core MCUs and outperforms by 1.6 times previous FP32 parallel implementations on a Continual Learning setup.

Biological processes, functions, and properties are intricately linked to the ensemble of protein conformations, rather than being solely determined by a single stable conformation. In this study, we have developed P2DFlow, a generative model based on SE(3) flow matching, to predict the structural ensembles of proteins. We specifically designed a valuable prior for the flow process and enhanced the model's ability to distinguish each intermediate state by incorporating an additional dimension to describe the ensemble data, which can reflect the physical laws governing the distribution of ensembles, so that the prior knowledge can effectively guide the generation process. When trained and evaluated on the MD datasets of ATLAS, P2DFlow outperforms other baseline models on extensive experiments, successfully capturing the observable dynamic fluctuations as evidenced in crystal structure and MD simulations. As a potential proxy agent for protein molecular simulation, the high-quality ensembles generated by P2DFlow could significantly aid in understanding protein functions across various scenarios. Code is available at https://github.com/BLEACH366/P2DFlow

Advances in peptide identification are revolutionizing our ability to decipher protein functions and accelerate therapeutic discovery. We present PDeepPP, a deep learning framework that integrates pretrained protein language models with parallel transformer-CNN architectures, achieving state-of-the-art performance in peptide characterization tasks. The model's hybrid architecture demonstrates unique capabilities in capturing both local sequence motifs and global structural features, as evidenced by 29% improved cluster separation in UMAP visualizations compared to conventional approaches. Evaluated across 33 biological recognition tasks - including post-translational modification site prediction and bioactive peptide identification - PDeepPP outperformed existing methods in 25 tasks with average AUC improvements of 4.2%. Notably, it achieved 0.9726 accuracy with PR AUC 0.9977 in antimicrobial peptide detection while reducing false negatives by 37.5% in antimalarial recognition scenarios. This framework enables accurate large-scale peptide analysis, achieving 218* acceleration over sequence-alignment-based methods while maintaining 99.5% specificity in critical glycosylation site detection.PDeepPP establishes a new paradigm for computational peptide analysis through its synergistic architecture design, enabling rapid yet precise functional annotation that bridges molecular pattern recognition with translational biomedical applications.We have made our implementation, including code, data, and pretrained models, publicly available via GitHub (https://github.com/fondress/PDeepPP) and Hugging Face (https://huggingface.co/fondress/PDeppPP).

We train, for the first time, large language models using FP8 precision on datasets up to 2 trillion tokens -- a 20-fold increase over previous limits. Through these extended training runs, we uncover critical instabilities in FP8 training that were not observable in earlier works with shorter durations. We trace these instabilities to outlier amplification by the SwiGLU activation function. Interestingly, we show, both analytically and empirically, that this amplification happens only over prolonged training periods, and link it to a SwiGLU weight alignment process. To address this newly identified issue, we introduce Smooth-SwiGLU, a novel modification that ensures stable FP8 training without altering function behavior. We also demonstrate, for the first time, FP8 quantization of both Adam optimizer moments. Combining these innovations, we successfully train a 7B parameter model using FP8 precision on 256 Intel Gaudi2 accelerators, achieving on-par results with the BF16 baseline while delivering up to a sim 34 % throughput improvement.

The code of nature, embedded in DNA and RNA genomes since the origin of life, holds immense potential to impact both humans and ecosystems through genome modeling. Genomic Foundation Models (GFMs) have emerged as a transformative approach to decoding the genome. As GFMs scale up and reshape the landscape of AI-driven genomics, the field faces an urgent need for rigorous and reproducible evaluation. We present OmniGenBench, a modular benchmarking platform designed to unify the data, model, benchmarking, and interpretability layers across GFMs. OmniGenBench enables standardized, one-command evaluation of any GFM across five benchmark suites, with seamless integration of over 31 open-source models. Through automated pipelines and community-extensible features, the platform addresses critical reproducibility challenges, including data transparency, model interoperability, benchmark fragmentation, and black-box interpretability. OmniGenBench aims to serve as foundational infrastructure for reproducible genomic AI research, accelerating trustworthy discovery and collaborative innovation in the era of genome-scale modeling.

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structure-aware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships. The dataset and evaluation code are available at https://github.com/xuanliugit/FGBench.

This study presents a comprehensive analysis of Ultralytics YOLO26, highlighting its key architectural enhancements and performance benchmarking for real-time object detection. YOLO26, released in September 2025, stands as the newest and most advanced member of the YOLO family, purpose-built to deliver efficiency, accuracy, and deployment readiness on edge and low-power devices. The paper sequentially details architectural innovations of YOLO26, including the removal of Distribution Focal Loss (DFL), adoption of end-to-end NMS-free inference, integration of ProgLoss and Small-Target-Aware Label Assignment (STAL), and the introduction of the MuSGD optimizer for stable convergence. Beyond architecture, the study positions YOLO26 as a multi-task framework, supporting object detection, instance segmentation, pose/keypoints estimation, oriented detection, and classification. We present performance benchmarks of YOLO26 on edge devices such as NVIDIA Jetson Nano and Orin, comparing its results with YOLOv8, YOLOv11, YOLOv12, YOLOv13, and transformer-based detectors(RF-DETR and RT-DETR). This paper further explores real-time deployment pathways, flexible export options (ONNX, TensorRT, CoreML, TFLite), and quantization for INT8/FP16. Practical use cases of YOLO26 across robotics, manufacturing, and IoT are highlighted to demonstrate cross-industry adaptability. Finally, insights on deployment efficiency and broader implications are discussed, with future directions for YOLO26 and the YOLO lineage outlined.

Recent advances in deep learning methods such as LLMs and Diffusion models have created a need for improved quantization methods that can meet the computational demands of these modern architectures while maintaining accuracy. Towards this goal, we study the advantages of FP8 data formats for post-training quantization across 75 unique network architectures covering a wide range of tasks, including machine translation, language modeling, text generation, image classification, generation, and segmentation. We examine three different FP8 representations (E5M2, E4M3, and E3M4) to study the effects of varying degrees of trade-off between dynamic range and precision on model accuracy. Based on our extensive study, we developed a quantization workflow that generalizes across different network architectures. Our empirical results show that FP8 formats outperform INT8 in multiple aspects, including workload coverage (92.64% vs. 65.87%), model accuracy and suitability for a broader range of operations. Furthermore, our findings suggest that E4M3 is better suited for NLP models, whereas E3M4 performs marginally better than E4M3 on computer vision tasks. The code is publicly available on Intel Neural Compressor: https://github.com/intel/neural-compressor.

Six-bit quantization (FP6) can effectively reduce the size of large language models (LLMs) and preserve the model quality consistently across varied applications. However, existing systems do not provide Tensor Core support for FP6 quantization and struggle to achieve practical performance improvements during LLM inference. It is challenging to support FP6 quantization on GPUs due to (1) unfriendly memory access of model weights with irregular bit-width and (2) high runtime overhead of weight de-quantization. To address these problems, we propose TC-FPx, the first full-stack GPU kernel design scheme with unified Tensor Core support of float-point weights for various quantization bit-width. We integrate TC-FPx kernel into an existing inference system, providing new end-to-end support (called FP6-LLM) for quantized LLM inference, where better trade-offs between inference cost and model quality are achieved. Experiments show that FP6-LLM enables the inference of LLaMA-70b using only a single GPU, achieving 1.69x-2.65x higher normalized inference throughput than the FP16 baseline. The source code will be publicly available soon.

In recent years, while natural language processing and multimodal learning have seen rapid advancements, the field of de novo protein design has also experienced significant growth. However, most current methods rely on proprietary datasets and evaluation rubrics, making fair comparisons between different approaches challenging. Moreover, these methods often employ evaluation metrics that capture only a subset of the desired properties of designed proteins, lacking a comprehensive assessment framework. To address these, we introduce PDFBench, the first comprehensive benchmark for evaluating de novo protein design from function. PDFBench supports two tasks: description-guided design and keyword-guided design. To ensure fair and multifaceted evaluation, we compile 22 metrics covering sequence plausibility, structural fidelity, and language-protein alignment, along with measures of novelty and diversity. We evaluate five state-of-the-art baselines, revealing their respective strengths and weaknesses across tasks. Finally, we analyze inter-metric correlations, exploring the relationships between four categories of metrics, and offering guidelines for metric selection. PDFBench establishes a unified framework to drive future advances in function-driven de novo protein design.

Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://anonymous.4open.science/r/FD-Bench-15BC.

CPU performance prediction, which involves forecasting the performance scores of a CPU based on its hardware characteristics during its operation, is a critical technology for computational system design and resource management in the big data era. However, this research field currently faces two significant challenges. First, collecting real-world data is challenging due to the wide variety of CPU products on the market and the highly specialized nature of relevant hardware characteristics. In the research process, this field lacks a standard dataset with unified hardware characteristics, wide data coverage, and comprehensive benchmarks. Second, existing methods based on hardware simulation models or machine learning exhibit notable shortcomings, such as lengthy simulation test cycles and low prediction accuracy. To bridge these gaps, we first collect, preprocess, and standardize historical data from the 4th Generation Intel Xeon Scalable Processors across multiple benchmark suites to create a new dataset, named PerfCastDB. Subsequently, we design a deep learning based model called Nova CPU Performance Predictor (NCPP) as the baseline for this new dataset. The NCPP network is designed based on group attention mechanism. It effectively quantifies the implicit relationships between hardware characteristics within and across groups and comprehensively models the impact of various hardware characteristics on CPU performance prediction. We conduct comparative experiments using the proposed PerfCastDB dataset. Compared to existing approaches, NCPP achieves superior evaluation results, demonstrating its effectiveness. Furthermore, we have open-sourced part of the dataset and the NCPP network code to facilitate subsequent research. The resources can be accessed at https://github.com/xiaoman-liu/NCPP.

FP8 formats are gaining popularity to boost the computational efficiency for training and inference of large deep learning models. Their main challenge is that a careful choice of scaling is needed to prevent degradation due to the reduced dynamic range compared to higher-precision formats. Although there exists ample literature about selecting such scalings for INT formats, this critical aspect has yet to be addressed for FP8. This paper presents a methodology to select the scalings for FP8 linear layers, based on dynamically updating per-tensor scales for the weights, gradients and activations. We apply this methodology to train and validate large language models of the type of GPT and Llama 2 using FP8, for model sizes ranging from 111M to 70B. To facilitate the understanding of the FP8 dynamics, our results are accompanied by plots of the per-tensor scale distribution for weights, activations and gradients during both training and inference.

The rising computational and energy demands of deep neural networks (DNNs), driven largely by backpropagation (BP), challenge sustainable AI development. This paper rigorously investigates three BP-free training methods: the Forward-Forward (FF), Cascaded-Forward (CaFo), and Mono-Forward (MF) algorithms, tracing their progression from foundational concepts to a demonstrably superior solution. A robust comparative framework was established: each algorithm was implemented on its native architecture (MLPs for FF and MF, a CNN for CaFo) and benchmarked against an equivalent BP-trained model. Hyperparameters were optimized with Optuna, and consistent early stopping criteria were applied based on validation performance, ensuring all models were optimally tuned before comparison. Results show that MF not only competes with but consistently surpasses BP in classification accuracy on its native MLPs. Its superior generalization stems from converging to a more favorable minimum in the validation loss landscape, challenging the assumption that global optimization is required for state-of-the-art results. Measured at the hardware level using the NVIDIA Management Library (NVML) API, MF reduces energy consumption by up to 41% and shortens training time by up to 34%, translating to a measurably smaller carbon footprint as estimated by CodeCarbon. Beyond this primary result, we present a hardware-level analysis that explains the efficiency gains: exposing FF's architectural inefficiencies, validating MF's computationally lean design, and challenging the assumption that all BP-free methods are inherently more memory-efficient. By documenting the evolution from FF's conceptual groundwork to MF's synthesis of accuracy and sustainability, this work offers a clear, data-driven roadmap for future energy-efficient deep learning.

In this paper, we explore FP8 low-bit data formats for efficient training of large language models (LLMs). Our key insight is that most variables, such as gradients and optimizer states, in LLM training can employ low-precision data formats without compromising model accuracy and requiring no changes to hyper-parameters. Specifically, we propose a new FP8 automatic mixed-precision framework for training LLMs. This framework offers three levels of FP8 utilization to streamline mixed-precision and distributed parallel training for LLMs. It gradually incorporates 8-bit gradients, optimizer states, and distributed learning in an incremental manner. Experiment results show that, during the training of GPT-175B model on H100 GPU platform, our FP8 mixed-precision training framework not only achieved a remarkable 42% reduction in real memory usage but also ran 64% faster than the widely adopted BF16 framework (i.e., Megatron-LM), surpassing the speed of Nvidia Transformer Engine by 17%. This largely reduces the training costs for large foundation models. Furthermore, our FP8 mixed-precision training methodology is generic. It can be seamlessly applied to other tasks such as LLM instruction tuning and reinforcement learning with human feedback, offering savings in fine-tuning expenses. Our FP8 low-precision training framework is open-sourced at {https://github.com/Azure/MS-AMP}{aka.ms/MS.AMP}.

We introduce VascX models, a comprehensive set of model ensembles for analyzing retinal vasculature from color fundus images (CFIs). Annotated CFIs were aggregated from public datasets for vessel, artery-vein, and disc segmentation; and fovea localization. Additional CFIs from the population-based Rotterdam Study were, with arteries and veins annotated by graders at pixel level. Our models achieved robust performance across devices from different vendors, varying levels of image quality levels, and diverse pathologies. Our models demonstrated superior segmentation performance compared to existing systems under a variety of conditions. Significant enhancements were observed in artery-vein and disc segmentation performance, particularly in segmentations of these structures on CFIs of intermediate quality, a common characteristic of large cohorts and clinical datasets. Our model outperformed human graders in segmenting vessels with greater precision. With VascX models we provide a robust, ready-to-use set of model ensembles and inference code aimed at simplifying the implementation and enhancing the quality of automated retinal vasculature analyses. The precise vessel parameters generated by the model can serve as starting points for the identification of disease patterns in and outside of the eye.

Modern AI hardware, such as Nvidia's Blackwell architecture, is increasingly embracing low-precision floating-point (FP) formats to handle the pervasive activation outliers in Large Language Models (LLMs). Despite this industry trend, a unified comparison of FP and integer (INT) quantization across varying granularities has been missing, leaving algorithm and hardware co-design without clear guidance. This paper fills that gap by systematically investigating the trade-offs between FP and INT formats. We reveal a critical performance crossover: while FP excels in coarse-grained quantization, the comparison at fine-grained (block-wise) levels is more nuanced. Our comprehensive comparison demonstrates that for popular 8-bit fine-grained formats (e.g., MX with block size 32), MXINT8 is superior to its FP counterpart in both algorithmic accuracy and hardware efficiency. However, for 4-bit formats, FP (e.g., MXFP4, NVFP4) often holds an accuracy advantage , though we show that NVINT4 can surpass NVFP4 when outlier-mitigation techniques like Hadamard rotation are applied. We also introduce a symmetric clipping method that resolves gradient bias in fine-grained low-bit INT training, enabling nearly lossless performance for MXINT8 training. These findings challenge the current hardware trajectory, demonstrating that a one-size-fits-all FP approach is suboptimal and advocating that fine-grained INT formats, particularly MXINT8, offer a better balance of accuracy, power, and efficiency for future AI accelerators.

Identifying drug-target interactions is essential for developing effective therapeutics. Binding affinity quantifies these interactions, and traditional approaches rely on computationally intensive 3D structural data. In contrast, language models can efficiently process sequential data, offering an alternative approach to molecular representation. In the current study, we introduce BAPULM, an innovative sequence-based framework that leverages the chemical latent representations of proteins via ProtT5-XL-U50 and ligands through MolFormer, eliminating reliance on complex 3D configurations. Our approach was validated extensively on benchmark datasets, achieving scoring power (R) values of 0.925 pm 0.043, 0.914 pm 0.004, and 0.8132 pm 0.001 on benchmark1k2101, Test2016_290, and CSAR-HiQ_36, respectively. These findings indicate the robustness and accuracy of BAPULM across diverse datasets and underscore the potential of sequence-based models in-silico drug discovery, offering a scalable alternative to 3D-centric methods for screening potential ligands.