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Model: tianchuang/Qwen-3-8B-RHEA-property-predictor Source: Original Platform
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README.md
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README.md
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---
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license: apache-2.0
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language:
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- en
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metrics:
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- accuracy
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- recall
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- precision
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- r_squared
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- mse
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- mae
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base_model:
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- Qwen/Qwen3-8B
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tags:
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- text-generation-inference
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- materials-science
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- qwen3
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- classification
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- regression
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---
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# Model Overview
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This repository contains the weights for the **Qwen-3-8B-RHEA-property-predictor**, fine-tuned for refractory high entropy alloys property prediction and phase classification tasks.
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## Training Details
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### Prompt Template
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Training prompts follow the template:
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**property prediction task**
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> “You are a materials science expert. Predict the {**property name**} for the following refractory high entropy alloy.”
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property name includs density, hardness, compressive yield strength at room temperature, compressive strain at room temperature,
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compressive yield strength at 1073K, and compressive yield strength at 1273K
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**phase classification task**
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> “You are a materials science expert. Determine whether the given refractory high entropy alloy has {**single solution phase/intermetallic phase**}.”
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Each query was formatted as:
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> “{**composition**} alloy prepared by {**process description text**}”
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### Hyperparameters & Settings
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* **Task:** Binary classification / Regression
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* **GPU:** 4 × NVIDIA GeForce RTX 3090
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* **Seed:** 42
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* **Final Epoch:** 4
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* **per-device batch size:** 2
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* **gradient accumulation:** 8
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* **Training Objective:** Full fine-tuning with CrossEntropyLoss
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* **Sequence Length:** 1024 tokens
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* **Dataset:**
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* Train: `train_data-all.jsonl`
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* Validation: `val_data-all.jsonl`
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* **Dataset Source:** The datasets are available at (https://huggingface.co/datasets/tianchuang/RHEA-mechanical-property)
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---
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## Validation Metrics
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Metrics are from model-calling evaluation.
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**Property prediction (val)**
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| Metric | YS task | Strain task | YS-1073 task | YS-1273 task | hardness task | density task |
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| :--- | :--- | :--- | :--- | :--- | :--- | :--- |
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| R2 | 0.533 | 0.185 | 0.565 | 0.671 | 0.561 | 0.886 |
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| MAE | 237.4 | 7.73 | 192.1 | 117.1 | 76.3 | 0.46 |
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| RMSE | 324.8 | 9.93 | 251.4 | 149.1 | 109.6 | 0.69 |
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**Phase classification (val)**
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| Metric | SS task | IM task |
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| :--- | :--- | :--- |
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| Precision | 0.833 | 0.849 |
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| Recall | 0.847 | 0.865 |
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| F1 score | 0.840 | 0.857 |
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| Accuracy | 0.858 | 0.886 |
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---
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## How to Use
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You can load and run inference with this model using the `transformers` library. The model uses the ChatML prompt format.
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```python
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import torch
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from transformers import AutoModelForCausalLM, AutoTokenizer, GenerationConfig
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# 1. Load model and tokenizer
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model_id = "tianchuang/Qwen-3-8B-RHEA-property-predictor"
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tokenizer = AutoTokenizer.from_pretrained(model_id)
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model = AutoModelForCausalLM.from_pretrained(
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model_id,
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torch_dtype=torch.bfloat16,
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device_map="auto"
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)
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# 2. Prepare your input data
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instruction = "Is the material BaTiO3 likely synthesizable? Answer with P (positive) or N (negative)."
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input_text = "" # Leave empty if no additional context is needed
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# 3. Format the input using the ChatML template
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if input_text:
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prompt = f"<|im_start|>system\nYou are a materials science expert.<|im_end|>\n<|im_start|>user\n{instruction}\n{input_text}<|im_end|>\n<|im_start|>assistant\n"
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else:
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prompt = f"<|im_start|>system\nYou are a materials science expert.<|im_end|>\n<|im_start|>user\n{instruction}<|im_end|>\n<|im_start|>assistant\n"
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# 4. Tokenize and generate response
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inputs = tokenizer(prompt, return_tensors="pt").to(model.device)
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generation_config = GenerationConfig(
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max_new_tokens=64,
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do_sample=True,
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temperature=0.6,
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top_p=0.9,
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top_k=50,
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pad_token_id=tokenizer.eos_token_id,
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eos_token_id=tokenizer.eos_token_id,
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)
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outputs = model.generate(**inputs, generation_config=generation_config)
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# 5. Decode and parse the prediction
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full_response = tokenizer.decode(outputs[0], skip_special_tokens=False)
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assistant_response = full_response.split("<|im_start|>assistant")[-1]
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clean_response = assistant_response.replace("<|im_end|>", "").strip()
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print(f"Prediction: {clean_response}")
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added_tokens.json
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{
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"</think>": 151668,
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"</tool_call>": 151658,
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"</tool_response>": 151666,
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"<think>": 151667,
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"<tool_call>": 151657,
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"<tool_response>": 151665,
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"<|box_end|>": 151649,
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"<|box_start|>": 151648,
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"<|endoftext|>": 151643,
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"<|file_sep|>": 151664,
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"<|fim_middle|>": 151660,
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"<|fim_pad|>": 151662,
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"<|fim_prefix|>": 151659,
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"<|fim_suffix|>": 151661,
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"<|im_end|>": 151645,
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"<|im_start|>": 151644,
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"<|image_pad|>": 151655,
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"<|object_ref_end|>": 151647,
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"<|object_ref_start|>": 151646,
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"<|quad_end|>": 151651,
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"<|quad_start|>": 151650,
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"<|repo_name|>": 151663,
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"<|video_pad|>": 151656,
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"<|vision_end|>": 151653,
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"<|vision_pad|>": 151654,
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"<|vision_start|>": 151652
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}
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89
chat_template.jinja
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chat_template.jinja
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{%- if tools %}
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{{- '<|im_start|>system\n' }}
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{%- if messages[0].role == 'system' %}
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{{- messages[0].content + '\n\n' }}
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{%- endif %}
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{{- "# Tools\n\nYou may call one or more functions to assist with the user query.\n\nYou are provided with function signatures within <tools></tools> XML tags:\n<tools>" }}
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{%- for tool in tools %}
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{{- "\n" }}
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{{- tool | tojson }}
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{%- endfor %}
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{{- "\n</tools>\n\nFor each function call, return a json object with function name and arguments within <tool_call></tool_call> XML tags:\n<tool_call>\n{\"name\": <function-name>, \"arguments\": <args-json-object>}\n</tool_call><|im_end|>\n" }}
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{%- else %}
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{%- if messages[0].role == 'system' %}
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{{- '<|im_start|>system\n' + messages[0].content + '<|im_end|>\n' }}
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{%- endif %}
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{%- endif %}
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{%- set ns = namespace(multi_step_tool=true, last_query_index=messages|length - 1) %}
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{%- for message in messages[::-1] %}
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{%- set index = (messages|length - 1) - loop.index0 %}
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{%- if ns.multi_step_tool and message.role == "user" and message.content is string and not(message.content.startswith('<tool_response>') and message.content.endswith('</tool_response>')) %}
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{%- set ns.multi_step_tool = false %}
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{%- set ns.last_query_index = index %}
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{%- endif %}
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{%- endfor %}
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{%- for message in messages %}
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{%- if message.content is string %}
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{%- set content = message.content %}
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{%- else %}
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{%- set content = '' %}
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{%- endif %}
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{%- if (message.role == "user") or (message.role == "system" and not loop.first) %}
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{{- '<|im_start|>' + message.role + '\n' + content + '<|im_end|>' + '\n' }}
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{%- elif message.role == "assistant" %}
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{%- set reasoning_content = '' %}
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{%- if message.reasoning_content is string %}
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{%- set reasoning_content = message.reasoning_content %}
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{%- else %}
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{%- if '</think>' in content %}
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{%- set reasoning_content = content.split('</think>')[0].rstrip('\n').split('<think>')[-1].lstrip('\n') %}
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{%- set content = content.split('</think>')[-1].lstrip('\n') %}
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{%- endif %}
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{%- endif %}
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{%- if loop.index0 > ns.last_query_index %}
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{%- if loop.last or (not loop.last and reasoning_content) %}
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{{- '<|im_start|>' + message.role + '\n<think>\n' + reasoning_content.strip('\n') + '\n</think>\n\n' + content.lstrip('\n') }}
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{%- else %}
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{{- '<|im_start|>' + message.role + '\n' + content }}
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{%- endif %}
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{%- else %}
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{{- '<|im_start|>' + message.role + '\n' + content }}
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{%- endif %}
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{%- if message.tool_calls %}
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{%- for tool_call in message.tool_calls %}
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{%- if (loop.first and content) or (not loop.first) %}
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{{- '\n' }}
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{%- endif %}
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{%- if tool_call.function %}
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{%- set tool_call = tool_call.function %}
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{%- endif %}
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||||||
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{{- '<tool_call>\n{"name": "' }}
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{{- tool_call.name }}
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||||||
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{{- '", "arguments": ' }}
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{%- if tool_call.arguments is string %}
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{{- tool_call.arguments }}
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{%- else %}
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{{- tool_call.arguments | tojson }}
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{%- endif %}
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{{- '}\n</tool_call>' }}
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{%- endfor %}
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{%- endif %}
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{{- '<|im_end|>\n' }}
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{%- elif message.role == "tool" %}
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{%- if loop.first or (messages[loop.index0 - 1].role != "tool") %}
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{{- '<|im_start|>user' }}
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{%- endif %}
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{{- '\n<tool_response>\n' }}
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{{- content }}
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{{- '\n</tool_response>' }}
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{%- if loop.last or (messages[loop.index0 + 1].role != "tool") %}
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{{- '<|im_end|>\n' }}
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{%- endif %}
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{%- endif %}
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{%- endfor %}
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{%- if add_generation_prompt %}
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{{- '<|im_start|>assistant\n' }}
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{%- if enable_thinking is defined and enable_thinking is false %}
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{{- '<think>\n\n</think>\n\n' }}
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{%- endif %}
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{%- endif %}
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68
config.json
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config.json
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{
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"architectures": [
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"Qwen3ForCausalLM"
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],
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"attention_bias": false,
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"attention_dropout": 0.0,
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"bos_token_id": 151643,
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"eos_token_id": 151645,
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"head_dim": 128,
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"hidden_act": "silu",
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"hidden_size": 4096,
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"initializer_range": 0.02,
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"intermediate_size": 12288,
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"layer_types": [
|
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"full_attention",
|
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|
"full_attention",
|
||||||
|
"full_attention",
|
||||||
|
"full_attention",
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||||||
|
"full_attention",
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|
"full_attention",
|
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|
"full_attention",
|
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|
"full_attention",
|
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|
"full_attention",
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|
"full_attention",
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|
"full_attention",
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|
"full_attention",
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"full_attention",
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"full_attention",
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"full_attention",
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"full_attention",
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"full_attention",
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"full_attention",
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"full_attention",
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"full_attention",
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"full_attention",
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|
"full_attention",
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"full_attention",
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|
"full_attention",
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|
"full_attention",
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"full_attention",
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|
"full_attention",
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|
"full_attention",
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"full_attention",
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|
"full_attention",
|
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|
"full_attention",
|
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|
"full_attention",
|
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|
"full_attention",
|
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|
"full_attention",
|
||||||
|
"full_attention",
|
||||||
|
"full_attention"
|
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|
],
|
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"max_position_embeddings": 40960,
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|
"max_window_layers": 36,
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|
"model_type": "qwen3",
|
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"num_attention_heads": 32,
|
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"num_hidden_layers": 36,
|
||||||
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"num_key_value_heads": 8,
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"rms_norm_eps": 1e-06,
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||||||
|
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||||||
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|
||||||
|
}
|
||||||
3
rng_state.pth
Normal file
3
rng_state.pth
Normal file
@@ -0,0 +1,3 @@
|
|||||||
|
version https://git-lfs.github.com/spec/v1
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||||||
|
oid sha256:2aa2a2d9fd3673298a4fe8f567a9864a03e5e51a7fea22641bde067bfaf9d608
|
||||||
|
size 14244
|
||||||
3
scheduler.pt
Normal file
3
scheduler.pt
Normal file
@@ -0,0 +1,3 @@
|
|||||||
|
version https://git-lfs.github.com/spec/v1
|
||||||
|
oid sha256:30e0f5008eb7b128f5579278cb944a67b9064d1f7cc4a6f0edb41c99af56b99e
|
||||||
|
size 1064
|
||||||
25
special_tokens_map.json
Normal file
25
special_tokens_map.json
Normal file
@@ -0,0 +1,25 @@
|
|||||||
|
{
|
||||||
|
"additional_special_tokens": [
|
||||||
|
"<|im_start|>",
|
||||||
|
"<|im_end|>",
|
||||||
|
"<|object_ref_start|>",
|
||||||
|
"<|object_ref_end|>",
|
||||||
|
"<|box_start|>",
|
||||||
|
"<|box_end|>",
|
||||||
|
"<|quad_start|>",
|
||||||
|
"<|quad_end|>",
|
||||||
|
"<|vision_start|>",
|
||||||
|
"<|vision_end|>",
|
||||||
|
"<|vision_pad|>",
|
||||||
|
"<|image_pad|>",
|
||||||
|
"<|video_pad|>"
|
||||||
|
],
|
||||||
|
"eos_token": {
|
||||||
|
"content": "<|im_end|>",
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
},
|
||||||
|
"pad_token": "<|im_end|>"
|
||||||
|
}
|
||||||
239
tokenizer_config.json
Normal file
239
tokenizer_config.json
Normal file
@@ -0,0 +1,239 @@
|
|||||||
|
{
|
||||||
|
"add_bos_token": false,
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
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|
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|
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|
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|
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|
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|
||||||
|
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|
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|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
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|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
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|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
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|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
"151664": {
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
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151645
vocab.json
Normal file
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user