AI4Chem/ChemVLM-26B · Hugging Face

Update

You can find our datasets and code of training and evaluation at https://github.com/AI4Chem/ChemVlm.

Finetune based on ChemLLM-20B and InterViT-6B

Model Usage

We provide an example code to run ChemVLM-26B using transformers.

You can also use our online demo for a quick experience of this model.

Please use transformers==4.37.2 to ensure the model works normally.

from transformers import AutoTokenizer, AutoModel
import torch
import torchvision.transforms as T
from PIL import Image

from torchvision.transforms.functional import InterpolationMode


IMAGENET_MEAN = (0.485, 0.456, 0.406)
IMAGENET_STD = (0.229, 0.224, 0.225)


def build_transform(input_size):
    MEAN, STD = IMAGENET_MEAN, IMAGENET_STD
    transform = T.Compose([
        T.Lambda(lambda img: img.convert('RGB') if img.mode != 'RGB' else img),
        T.Resize((input_size, input_size), interpolation=InterpolationMode.BICUBIC),
        T.ToTensor(),
        T.Normalize(mean=MEAN, std=STD)
    ])
    return transform


def find_closest_aspect_ratio(aspect_ratio, target_ratios, width, height, image_size):
    best_ratio_diff = float('inf')
    best_ratio = (1, 1)
    area = width * height
    for ratio in target_ratios:
        target_aspect_ratio = ratio[0] / ratio[1]
        ratio_diff = abs(aspect_ratio - target_aspect_ratio)
        if ratio_diff < best_ratio_diff:
            best_ratio_diff = ratio_diff
            best_ratio = ratio
        elif ratio_diff == best_ratio_diff:
            if area > 0.5 * image_size * image_size * ratio[0] * ratio[1]:
                best_ratio = ratio
    return best_ratio


def dynamic_preprocess(image, min_num=1, max_num=6, image_size=448, use_thumbnail=False):
    orig_width, orig_height = image.size
    aspect_ratio = orig_width / orig_height

    # calculate the existing image aspect ratio
    target_ratios = set(
        (i, j) for n in range(min_num, max_num + 1) for i in range(1, n + 1) for j in range(1, n + 1) if
        i * j <= max_num and i * j >= min_num)
    target_ratios = sorted(target_ratios, key=lambda x: x[0] * x[1])

    # find the closest aspect ratio to the target
    target_aspect_ratio = find_closest_aspect_ratio(
        aspect_ratio, target_ratios, orig_width, orig_height, image_size)

    # calculate the target width and height
    target_width = image_size * target_aspect_ratio[0]
    target_height = image_size * target_aspect_ratio[1]
    blocks = target_aspect_ratio[0] * target_aspect_ratio[1]

    # resize the image
    resized_img = image.resize((target_width, target_height))
    processed_images = []
    for i in range(blocks):
        box = (
            (i % (target_width // image_size)) * image_size,
            (i // (target_width // image_size)) * image_size,
            ((i % (target_width // image_size)) + 1) * image_size,
            ((i // (target_width // image_size)) + 1) * image_size
        )
        # split the image
        split_img = resized_img.crop(box)
        processed_images.append(split_img)
    assert len(processed_images) == blocks
    if use_thumbnail and len(processed_images) != 1:
        thumbnail_img = image.resize((image_size, image_size))
        processed_images.append(thumbnail_img)
    return processed_images


def load_image(image_file, input_size=448, max_num=6):
    image = Image.open(image_file).convert('RGB')
    transform = build_transform(input_size=input_size)
    images = dynamic_preprocess(image, image_size=input_size, use_thumbnail=True, max_num=max_num)
    pixel_values = [transform(image) for image in images]
    pixel_values = torch.stack(pixel_values)
    return pixel_values

path = "AI4Chem/ChemVLM-26B"
# If you have an 80G A100 GPU, you can put the entire model on a single GPU.
model = AutoModel.from_pretrained(
    path,
    torch_dtype=torch.bfloat16,
    low_cpu_mem_usage=True,
    trust_remote_code=True).eval().cuda()
# Otherwise, you need to set device_map='auto' to use multiple GPUs for inference.
# import os
# os.environ["CUDA_LAUNCH_BLOCKING"] = "1"
# model = AutoModel.from_pretrained(
#     path,
#     torch_dtype=torch.bfloat16,
#     low_cpu_mem_usage=True,
#     trust_remote_code=True,
#     device_map='auto').eval()

tokenizer = AutoTokenizer.from_pretrained(path, trust_remote_code=True)
# set the max number of tiles in `max_num`
pixel_values = load_image('./examples/image1.jpg', max_num=6).to(torch.bfloat16).cuda()

generation_config = dict(
    num_beams=1,
    max_new_tokens=512,
    do_sample=False,
)

# single-round single-image conversation
question = "请详细描述图片" # Please describe the picture in detail
response = model.chat(tokenizer, pixel_values, question, generation_config)
print(question, response)

# multi-round single-image conversation
question = "请详细描述图片" # Please describe the picture in detail
response, history = model.chat(tokenizer, pixel_values, question, generation_config, history=None, return_history=True)
print(question, response)

question = "请根据图片写一首诗" # Please write a poem according to the picture
response, history = model.chat(tokenizer, pixel_values, question, generation_config, history=history, return_history=True)
print(question, response)

# multi-round multi-image conversation
pixel_values1 = load_image('./examples/image1.jpg', max_num=6).to(torch.bfloat16).cuda()
pixel_values2 = load_image('./examples/image2.jpg', max_num=6).to(torch.bfloat16).cuda()
pixel_values = torch.cat((pixel_values1, pixel_values2), dim=0)

question = "详细描述这两张图片" # Describe the two pictures in detail
response, history = model.chat(tokenizer, pixel_values, question, generation_config, history=None, return_history=True)
print(question, response)

question = "这两张图片的相同点和区别分别是什么" # What are the similarities and differences between these two pictures
response, history = model.chat(tokenizer, pixel_values, question, generation_config, history=history, return_history=True)
print(question, response)

# batch inference (single image per sample)
pixel_values1 = load_image('./examples/image1.jpg', max_num=6).to(torch.bfloat16).cuda()
pixel_values2 = load_image('./examples/image2.jpg', max_num=6).to(torch.bfloat16).cuda()
image_counts = [pixel_values1.size(0), pixel_values2.size(0)]
pixel_values = torch.cat((pixel_values1, pixel_values2), dim=0)

questions = ["Describe the image in detail."] * len(image_counts)
responses = model.batch_chat(tokenizer, pixel_values,
                             image_counts=image_counts,
                             questions=questions,
                             generation_config=generation_config)
for question, response in zip(questions, responses):
    print(question)
    print(response)

License

This project is released under the MIT license.

Citation

arxiv.org/abs/2408.07246

@misc{li2024chemvlmexploringpowermultimodal,
      title={ChemVLM: Exploring the Power of Multimodal Large Language Models in Chemistry Area}, 
      author={Junxian Li and Di Zhang and Xunzhi Wang and Zeying Hao and Jingdi Lei and Qian Tan and Cai Zhou and Wei Liu and Yaotian Yang and Xinrui Xiong and Weiyun Wang and Zhe Chen and Wenhai Wang and Wei Li and Shufei Zhang and Mao Su and Wanli Ouyang and Yuqiang Li and Dongzhan Zhou},
      year={2024},
      eprint={2408.07246},
      archivePrefix={arXiv},
      primaryClass={cs.LG},
      url={https://arxiv.org/abs/2408.07246}, 
}

Acknowledgement

ChemVLM is built on InternVL.

InternVL is built with reference to the code of the following projects: OpenAI CLIP, Open CLIP, CLIP Benchmark, EVA, InternImage, ViT-Adapter, MMSegmentation, Transformers, DINOv2, BLIP-2, Qwen-VL, and LLaVA-1.5. Thanks for their awesome work!